Search by PubMed Identification
PMID | Data | Article Title | Citation | Organization | Data Download |
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23999047 | 9 | N-Glucosides as human sodium-dependent glucose cotransporter 2 (hSGLT2) inhibitors. | Bioorg Med Chem Lett 23: 5641-5 (2013) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
23999043 | 1 | Design and synthesis of MMP inhibitors with appended fluorescent tags for imaging and visualization of matrix metalloproteinase enzymes. | Bioorg Med Chem Lett 23: 5566-70 (2013) | Mallinckrodt Pharmaceuticals | 2D 3D TSV |
23999040 | 27 | Design, synthesis, and biological evaluation of novel 3-pyrrolo[b]cyclohexylene-2-dihydroindolinone derivatives as potent receptor tyrosine kinase inhibitors. | Bioorg Med Chem Lett 23: 5630-3 (2013) | Nanjing University of Technology | 2D 3D TSV |
23998921 | 19 | Thienopyrimidine bisphosphonate (ThPBP) inhibitors of the human farnesyl pyrophosphate synthase: optimization and characterization of the mode of inhibition. | J Med Chem 56: 7939-50 (2013) | McGill University | 2D 3D TSV |
23997923 | 21 | Discovery and activity profiling of thailandepsins A through F, potent histone deacetylase inhibitors, from | Medchemcomm 3: 976-981 (2012) | University of Wisconsin-Milwaukee | 2D 3D TSV |
23994869 | 6 | Chemopreventive and antioxidant activity of 6-substituted imidazo[2,1-b]thiazoles. | Eur J Med Chem 68: 412-21 (2013) | Universit£ di Bologna | 2D 3D TSV |
23994329 | 12 | Design, synthesis and evaluation of 7-azaindazolyl-indolyl-maleimides as glycogen synthase kinase-3ß (GSK-3ß) inhibitors. | Eur J Med Chem 68: 361-71 (2013) | Zhejiang University | 2D 3D TSV |
23994326 | 9 | 6-Cyclohexylmethoxy-5-(cyano-NNO-azoxy)pyrimidine-4-amine: a new scaffold endowed with potent CDK2 inhibitory activity. | Eur J Med Chem 68: 333-8 (2013) | Universit£ degli Studi di Torino | 2D 3D TSV |
23994324 | 28 | Highly potent dipeptidyl peptidase IV inhibitors derived from Alogliptin through pharmacophore hybridization and lead optimization. | Eur J Med Chem 68: 312-20 (2013) | First Affiliated Hospital of Guangzhou Medical University | 2D 3D TSV |
23993776 | 17 | Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics. | Bioorg Med Chem Lett 23: 5721-6 (2013) | University of Zurich | 2D 3D TSV |
23993674 | 9 | Hydroxyquinoline-derived compounds and analoguing of selective Mcl-1 inhibitors using a functional biomarker. | Bioorg Med Chem 21: 6642-9 (2013) | Eutropics Pharmaceuticals | 2D 3D TSV |
23993670 | 2 | Novel BACE1 inhibitors with a non-acidic heterocycle at the P1' position. | Bioorg Med Chem 21: 6665-73 (2013) | Kyoto Pharmaceutical University | 2D 3D TSV |
23993667 | 9 | Synthesis and evaluation of novel azetidine analogs as potent inhibitors of vesicular [3H]dopamine uptake. | Bioorg Med Chem 21: 6771-7 (2013) | University of Kentucky | 2D 3D TSV |
23993336 | 24 | Preparation of imidazoles as potent calcitonin gene-related peptide (CGRP) antagonists. | Bioorg Med Chem Lett 23: 5684-8 (2013) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23993334 | 70 | 3-Ylidenephthalides as a new class of transient receptor potential channel TRPA1 and TRPM8 modulators. | Bioorg Med Chem Lett 23: 5614-8 (2013) | Sapienza University of Rome | 2D 3D TSV |
23993333 | 27 | Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors. | Bioorg Med Chem Lett 23: 5674-9 (2013) | Northwestern University | 2D 3D TSV |
23993332 | 8 | Syntheses, biological evaluation and SAR of ingenol mebutate analogues for treatment of actinic keratosis and non-melanoma skin cancer. | Bioorg Med Chem Lett 23: 5624-9 (2013) | LEO Pharma A/S | 2D 3D TSV |
23993330 | 10 | Effect of incorporating a thiophene tail in the scaffold of acetazolamide on the inhibition of human carbonic anhydrase isoforms I, II, IX and XII. | Bioorg Med Chem Lett 23: 5646-9 (2013) | University of Florida | 2D 3D TSV |
23993328 | 41 | Synthesis and biological evaluation of 2-amino-5-aryl-3-benzylthiopyridine scaffold based potent c-Met inhibitors. | Bioorg Med Chem 21: 6804-20 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23992859 | 2 | Emerging technologies for metabolite generation and structural diversification. | Bioorg Med Chem Lett 23: 5471-83 (2013) | AbbVie Bioresearch Center | 2D 3D TSV |
23992105 | 4 | Studies toward the development of new silicon-containing building blocks for the direct (18)F-labeling of peptides. | J Med Chem 56: 7552-63 (2013) | Institute of Technology (ETH) Zurich | 2D 3D TSV |
23991897 | 36 | Synthesis and structure-activity relationship (SAR) of 2-methyl-4-oxo-3-oxetanylcarbamic acid esters, a class of potent N-acylethanolamine acid amidase (NAAA) inhibitors. | J Med Chem 56: 6917-34 (2013) | Istituto Italiano di Tecnologia | 2D 3D TSV |
23988485 | 5 | Synthesis and enzymatic evaluation of phosphoramidon and itsß anomer: Anomerization ofa-l-rhamnose triacetate upon phosphitylation. | Bioorg Med Chem 21: 6778-87 (2013) | Jiangxi Science and Technology Normal University | 2D 3D TSV |
23988412 | 39 | Design, synthesis, docking study and biological evaluation of some novel tetrahydrochromeno [3',4':5,6]pyrano[2,3-b]quinolin-6(7H)-one derivatives against acetyl- and butyrylcholinesterase. | Eur J Med Chem 68: 291-300 (2013) | Tehran University of Medical Sciences | 2D 3D TSV |
23988409 | 32 | Design, synthesis, biological evaluation and docking study of 5-oxo-4,5-dihydropyrano[3,2-c]chromene derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors. | Eur J Med Chem 68: 260-9 (2013) | Tehran University of Medical Sciences | 2D 3D TSV |
23988356 | 56 | Phosphodiesterase inhibitors. Part 6: design, synthesis, and structure-activity relationships of PDE4-inhibitory pyrazolo[1,5-a]pyridines with anti-inflammatory activity. | Bioorg Med Chem Lett 23: 5311-6 (2013) | Kyorin Pharmaceutical Co., Ltd. | 2D 3D TSV |
23988354 | 21 | Long-lasting inhibition of EGFR autophosphorylation in A549 tumor cells by intracellular accumulation of non-covalent inhibitors. | Bioorg Med Chem Lett 23: 5290-4 (2013) | Universit£ degli Studi di Parma | 2D 3D TSV |
23988352 | 9 | Systematic replacement of amides by 1,4-disubstituted[1,2,3]triazoles in Leu-enkephalin and the impact on the delta opioid receptor activity. | Bioorg Med Chem Lett 23: 5267-9 (2013) | Universit£ de Sherbrooke | 2D 3D TSV |
23988122 | 7 | Modulation of aldose reductase inhibition by halogen bond tuning. | ACS Chem Biol 8: 2484-92 (2013) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
23985689 | 32 | Discovery of a novel 5-carbonyl-1H-imidazole-4-carboxamide class of inhibitors of the HIV-1 integrase-LEDGF/p75 interaction. | Bioorg Med Chem 21: 5963-72 (2013) | University of Southern California | 2D 3D TSV |
23984975 | 29 | Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors. | J Med Chem 56: 7615-24 (2013) | Ume£ University | 2D 3D TSV |
23981939 | 32 | N-substituted 8-aminopentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecanes ass receptor ligands with potential neuroprotective effects. | Bioorg Med Chem 21: 6038-52 (2013) | The University of Sydney | 2D 3D TSV |
23981898 | 20 | Discovery of cyclic sulfoxide hydroxyethylamines as potent and selectiveß-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloidß-peptides. | Bioorg Med Chem Lett 23: 5300-6 (2013) | Novartis Pharma AG | 2D 3D TSV |
23981897 | 6 | Synthesis and biological analysis of benzazol-2-yl piperazine sulfonamides as 11ß-hydroxysteroid dehydrogenase 1 inhibitors. | Bioorg Med Chem Lett 23: 5397-400 (2013) | Leopold-Franzens-Universit£t | 2D 3D TSV |
23981530 | 46 | The carbonate analogues of 5'-halogenated resiniferatoxin as TRPV1 ligands. | Eur J Med Chem 68: 233-43 (2013) | Seoul National University | 2D 3D TSV |
23981088 | 10 | Synthesis, resolution, and biological evaluation of atropisomeric (aR)- and (aS)-16-methyllamellarins N: unique effects of the axial chirality on the selectivity of protein kinases inhibition. | J Med Chem 56: 7289-301 (2013) | Nagasaki University | 2D 3D TSV |
23981033 | 44 | Spirolactam-based acetyl-CoA carboxylase inhibitors: toward improved metabolic stability of a chromanone lead structure. | J Med Chem 56: 7110-9 (2013) | Pfizer Inc | 2D 3D TSV |
23978650 | 2 | Investigation of an F-18 oxytocin receptor selective ligand via PET imaging. | Bioorg Med Chem Lett 23: 5415-20 (2013) | Emory University | 2D 3D TSV |
23978359 | 26 | Design and synthesis of novel 3-substituted-indole derivatives as selective H3 receptor antagonists and potent free radical scavengers. | Bioorg Med Chem 21: 5936-44 (2013) | Zhejiang University | 2D 3D TSV |
23978358 | 28 | N-Methylanilide and N-methylbenzamide derivatives as phosphodiesterase 10A (PDE10A) inhibitors. | Bioorg Med Chem 21: 6053-62 (2013) | H. Lundbeck A/S | 2D 3D TSV |
23978130 | 24 | Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors. | ACS Chem Biol 8: 2501-8 (2013) | Rutgers University | 2D 3D TSV |
23977883 | 54 | Inhibition of hypoxia-inducible factor prolyl hydroxylase domain oxygen sensors: tricking the body into mounting orchestrated survival and repair responses. | J Med Chem 56: 9369-402 (2014) | Janssen Research and Development LLC | 2D 3D TSV |
23977416 | 19 | Optimization of Arylamides as Novel, Potent and Brain-penetrant Antiprion Lead Compounds. | ACS Med Chem Lett 4: 647-650 (2013) | University of California | 2D 3D TSV |
23974021 | 34 | Synthesis, molecular docking and kinetic properties of ?-hydroxy-?-phenylpropionyl-hydroxamic acids as Helicobacter pylori urease inhibitors. | Eur J Med Chem 68: 212-21 (2013) | Jishou University | 2D 3D TSV |
23974016 | 26 | Hybrid peptides endomorphin-2/DAMGO: design, synthesis and biological evaluation. | Eur J Med Chem 68: 167-77 (2013) | Universit£ degli Studi "G. d'Annunzio" di Chieti-Pescara | 2D 3D TSV |
23974015 | 44 | 2,3,9- and 2,3,11-trisubstituted tetrahydroprotoberberines as D2 dopaminergic ligands. | Eur J Med Chem 68: 150-66 (2013) | Universidad de Valencia | 2D 3D TSV |
23974014 | 16 | Toward the design of new DNA G-quadruplex ligands through rational analysis of polymorphism and binding data. | Eur J Med Chem 68: 139-49 (2013) | Universit£ degli Studi"Magna Gr£cia" | 2D 3D TSV |
23974013 | 1 | Substrate-based peptidomimetic inhibitors of the Murray Valley encephalitis virus NS2B/NS3 serine protease: a P1-P4 SAR study. | Eur J Med Chem 68: 72-80 (2013) | Agency for Science, Technology and Research (A*STAR) | 2D 3D TSV |
23973211 | 145 | Fragment-based discovery of focal adhesion kinase inhibitors. | Bioorg Med Chem Lett 23: 5401-9 (2013) | Merck KGaA | 2D 3D TSV |
23973168 | 14 | Four-membered heterocycles-containing 4-anilino-quinazoline derivatives as epidermal growth factor receptor (EGFR) kinase inhibitors. | Bioorg Med Chem Lett 23: 5385-8 (2013) | Fudan University | 2D 3D TSV |
23972441 | 40 | Novel tetrahydropyran analogs as dipeptidyl peptidase IV inhibitors: profile of clinical candidate (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine (23). | Bioorg Med Chem Lett 23: 5361-6 (2013) | Merck Research Laboratories | 2D 3D TSV |
23968823 | 8 | Novel hydroxyl tricyclics (e.g., GSK966587) as potent inhibitors of bacterial type IIA topoisomerases. | Bioorg Med Chem Lett 23: 5437-41 (2013) | GlaxoSmithKline | 2D 3D TSV |
23968711 | 2 | Design, synthesis and biological evaluation of novel mansonone E derivatives prepared via CuAAC click chemistry as topoisomerase II inhibitors. | Eur J Med Chem 68: 58-71 (2013) | Sun Yat-sen University | 2D 3D TSV |
23968551 | 55 | New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target. | J Med Chem 56: 7431-41 (2013) | Sapienza University of Rome | 2D 3D TSV |
23968501 | 85 | Inhibiting aberrant signal transducer and activator of transcription protein activation with tetrapodal, small molecule Src homology 2 domain binders: promising agents against multiple myeloma. | J Med Chem 56: 7190-200 (2013) | University of Toronto Mississauga | 2D 3D TSV |
23968485 | 67 | Design, synthesis, and characterization of novel tetrahydropyran-based bacterial topoisomerase inhibitors with potent anti-gram-positive activity. | J Med Chem 56: 7396-415 (2013) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
23965175 | 105 | Carbonic anhydrase inhibitors: synthesis and inhibition of the human carbonic anhydrase isoforms I, II, VII, IX and XII with benzene sulfonamides incorporating 4,5,6,7-tetrabromophthalimide moiety. | Bioorg Med Chem 21: 5973-82 (2013) | Birla Institute of Technology | 2D 3D TSV |
23965125 | 26 | Experimental and structural testing module to analyze paralogue-specificity and affinity in the Hsp90 inhibitors series. | J Med Chem 56: 6803-18 (2013) | Memorial Sloan-Kettering Cancer Center | 2D 3D TSV |
23964991 | 11 | Anti-inflammatory effects of extracellular cyclosporins are exclusively mediated by CD147. | J Med Chem 56: 7302-11 (2013) | Max Planck Research Unit for Enzymology of Protein Folding | 2D 3D TSV |
23964961 | 9 | Potent histone deacetylase inhibitors derived from 4-(aminomethyl)-N-hydroxybenzamide with high selectivity for the HDAC6 isoform. | J Med Chem 56: 7201-11 (2013) | Millennium Pharmaceuticals Inc | 2D 3D TSV |
23964901 | 3 | Structure of thes1 receptor and its ligand binding site. | J Med Chem 56: 9809-19 (2013) | Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster | 2D 3D TSV |
23964859 | 48 | Identification of a novel series of orexin receptor antagonists with a distinct effect on sleep architecture for the treatment of insomnia. | J Med Chem 56: 7590-607 (2013) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
23964788 | 56 | Identification of the KDM2/7 histone lysine demethylase subfamily inhibitor and its antiproliferative activity. | J Med Chem 56: 7222-31 (2013) | Kyoto Prefectural University of Medicine | 2D 3D TSV |
23964740 | 68 | Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778). | J Med Chem 56: 7343-57 (2013) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23962660 | 9 | Discovery of novel 4-anilinoquinazoline derivatives as potent inhibitors of epidermal growth factor receptor with antitumor activity. | Bioorg Med Chem 21: 6084-91 (2013) | Soochow University | 2D 3D TSV |
23961878 | 1 | Identification and optimization of pteridinone Toll-like receptor 7 (TLR7) agonists for the oral treatment of viral hepatitis. | J Med Chem 56: 7324-33 (2013) | Gilead Sciences Inc | 2D 3D TSV |
23960073 | 8 | FRAX597, a small molecule inhibitor of the p21-activated kinases, inhibits tumorigenesis of neurofibromatosis type 2 (NF2)-associated Schwannomas. | J Biol Chem 288: 29105-14 (2013) | The Scripps Research Institute | 2D 3D TSV |
23958516 | 61 | Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists. | Bioorg Med Chem 21: 5983-94 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23957426 | 14 | Identification of cryptotanshinone as an inhibitor of oncogenic protein tyrosine phosphatase SHP2 (PTPN11). | J Med Chem 56: 7212-21 (2013) | Case Western Reserve University | 2D 3D TSV |
23957390 | 20 | Discovery of HIV-1 integrase inhibitors: pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation. | Chem Biol Drug Des 83: 154-66 (2014) | Institute of Pharmacy, Nirma University, Ahmedabad, 382 481, India. | 2D 3D TSV |
23957301 | 22 | Antioxidant, a-glucosidase and xanthine oxidase inhibitory activity of bioactive compounds from maize (Zea mays L.). | Chem Biol Drug Des 83: 119-25 (2014) | SRTM University | 2D 3D TSV |
23956101 | 2441 | A multifactorial approach to hepatobiliary transporter assessment enables improved therapeutic compound development. | Toxicol Sci 136: 216-41 (2013) | Amgen Inc | 2D 3D TSV |
23955344 | 9 | Pre-existent asymmetry in the human cyclooxygenase-2 sequence homodimer. | J Biol Chem 288: 28641-55 (2013) | University of Michigan Medical School | 2D 3D TSV |
23954364 | 12 | ?2-Adrenoceptor agonists in the regulation of mitochondrial biogenesis. | Bioorg Med Chem Lett 23: 5376-81 (2013) | Medical University of South Carolina | 2D 3D TSV |
23953689 | 37 | Design, synthesis, biological and structural evaluation of functionalized resveratrol analogues as inhibitors of quinone reductase 2. | Bioorg Med Chem 21: 6022-37 (2013) | Purdue University | 2D 3D TSV |
23953686 | 28 | Design and synthesis of (4E)-4-(4-substitutedbenzylideneamino)-3-substituted-2,3-dihydro-2-thioxothiazole-5-carbonitrile as novel A2A receptor antagonists. | Bioorg Med Chem 21: 6077-83 (2013) | University of Delhi | 2D 3D TSV |
23953189 | 53 | Identification of potent, selective, CNS-targeted inverse agonists of the ghrelin receptor. | Bioorg Med Chem Lett 23: 5410-4 (2013) | Pfizer Inc | 2D 3D TSV |
23953070 | 146 | Discovery of potent and selective nonsteroidal indazolyl amide glucocorticoid receptor agonists. | Bioorg Med Chem Lett 23: 5442-7 (2013) | Ironwood Pharmaceuticals, Inc. | 2D 3D TSV |
23952265 | 84 | Testing the substrate-envelope hypothesis with designed pairs of compounds. | ACS Chem Biol 8: 2433-41 (2013) | Massachusetts Institute of Technology | 2D 3D TSV |
23948248 | 52 | Structure activity relationship studies of 17-cyclopropylmethyl-3,14?-dihydroxy-4,5?-epoxy-6?-(isoquinoline-3'-carboxamido)morphinan (NAQ) analogues as potent opioid receptor ligands: preliminary results on the role of electronic characteristics for affinity and function. | Bioorg Med Chem Lett 23: 5045-8 (2013) | Virginia Commonwealth University | 2D 3D TSV |
23947773 | 79 | Dihydrothiazolopyridone derivatives as a novel family of positive allosteric modulators of the metabotropic glutamate 5 (mGlu5) receptor. | J Med Chem 56: 7243-59 (2013) | Janssen Pharmaceutica NV | 2D 3D TSV |
23947754 | 74 | Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography. | J Med Chem 56: 6696-708 (2013) | California NanoSystems Institute | 2D 3D TSV |
23947685 | 10 | Highly potent HIV-1 protease inhibitors with novel tricyclic P2 ligands: design, synthesis, and protein-ligand X-ray studies. | J Med Chem 56: 6792-802 (2013) | Purdue University | 2D 3D TSV |
23944843 | 60 | Lessons from (S)-6-(1-(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)quinoline (PF-04254644), an inhibitor of receptor tyrosine kinase c-Met with high protein kinase selectivity but broad phosphodiesterase family inhibition leading to myocardial degeneration in rats. | J Med Chem 56: 6651-65 (2013) | Pfizer Inc | 2D 3D TSV |
23944386 | 55 | Discovery of selective small molecule type III phosphatidylinositol 4-kinase alpha (PI4KIIIa) inhibitors as anti hepatitis C (HCV) agents. | J Med Chem 57: 2091-106 (2014) | GlaxoSmithKline | 2D 3D TSV |
23942421 | 43 | The first synthesis of natural disulfide bruguiesulfurol and biological evaluation of its derivatives as a novel scaffold for PTP1B inhibitors. | Bioorg Med Chem Lett 23: 5061-5 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23941661 | 5 | KLIFS: a knowledge-based structural database to navigate kinase-ligand interaction space. | J Med Chem 57: 249-77 (2014) | VU University Amsterdam | 2D 3D TSV |
23941108 | 1 | Casuarinines A-J, lycodine-type alkaloids from Lycopodiastrum casuarinoides. | J Nat Prod 76: 1475-84 (2013) | Fudan University | 2D 3D TSV |
23941044 | 7 | Substituted tetrahydroisoquinolines as selective antagonists for the orexin 1 receptor. | J Med Chem 56: 6901-16 (2013) | Research Triangle Institute | 2D 3D TSV |
23940047 | 7 | Nicotinamide adenine dinucleotide-induced multimerization of the co-repressor CtBP1 relies on a switching tryptophan. | J Biol Chem 288: 27836-48 (2013) | Oregon Health and Science University | 2D 3D TSV |
23938053 | 36 | Synthesis and biological evaluation of novel benzyl-substituted (S)-phenylalanine derivatives as potent dipeptidyl peptidase 4 inhibitors. | Bioorg Med Chem 21: 5679-87 (2013) | Zhejiang University | 2D 3D TSV |
23938052 | 15 | Synthesis, enzyme kinetics and computational evaluation of N-(ß-D-glucopyranosyl) oxadiazolecarboxamides as glycogen phosphorylase inhibitors. | Bioorg Med Chem 21: 5738-47 (2013) | University of Debrecen | 2D 3D TSV |
23937979 | 6 | Discovery of N-(2,3,5-triazoyl)mycophenolic amide and mycophenolic epoxyketone as novel inhibitors of human IMPDH. | Bioorg Med Chem Lett 23: 5140-4 (2013) | Hokkaido University | 2D 3D TSV |
23937569 | 22 | Selectivity data: assessment, predictions, concordance, and implications. | J Med Chem 56: 6991-7002 (2013) | Eli Lilly and Company | 2D 3D TSV |
23935105 | 20 | Specialization among iron-sulfur cluster helicases to resolve G-quadruplex DNA structures that threaten genomic stability. | J Biol Chem 288: 28217-29 (2013) | National Institutes of Health, National Institutes of Health Biomedical Research Center | 2D 3D TSV |
23935099 | 16 | Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket. | J Biol Chem 288: 28195-206 (2013) | GlaxoSmithKline | 2D 3D TSV |
23933045 | 20 | Synthesis, biological evaluation and molecular docking studies of pyrazole derivatives coupling with a thiourea moiety as novel CDKs inhibitors. | Eur J Med Chem 68: 1-9 (2013) | Nanjing University | 2D 3D TSV |
23932792 | 74 | Octahydropyrrolo[3,4-c]pyrrole negative allosteric modulators of mGlu1. | Bioorg Med Chem Lett 23: 5091-6 (2013) | Vanderbilt University Medical Center | 2D 3D TSV |
23932790 | 73 | A hit to lead discovery of novel N-methylated imidazolo-, pyrrolo-, and pyrazolo-pyrimidines as potent and selective mTOR inhibitors. | Bioorg Med Chem Lett 23: 5097-104 (2013) | Genentech | 2D 3D TSV |
23932788 | 60 | N-terminal guanidinylation of TIPP (Tyr-Tic-Phe-Phe) peptides results in major changes of the opioid activity profile. | Bioorg Med Chem Lett 23: 5082-5 (2013) | Clinical Research Institute of Montreal | 2D 3D TSV |
23932451 | 34 | Synthesis and biological evaluation of berberine-thiophenyl hybrids as multi-functional agents: Inhibition of acetylcholinesterase, butyrylcholinesterase, and Aß aggregation and antioxidant activity. | Bioorg Med Chem 21: 5830-40 (2013) | Sun Yat-sen University | 2D 3D TSV |
23932448 | 3 | Chrysophaentins are competitive inhibitors of FtsZ and inhibit Z-ring formation in live bacteria. | Bioorg Med Chem 21: 5673-8 (2013) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
23930994 | 67 | Structure- and reactivity-based development of covalent inhibitors of the activating and gatekeeper mutant forms of the epidermal growth factor receptor (EGFR). | J Med Chem 56: 7025-48 (2013) | AstraZeneca | 2D 3D TSV |
23930152 | 10 | SAR Based Optimization of a 4-Quinoline Carboxylic Acid Analog with Potent Anti-Viral Activity. | ACS Med Chem Lett 4: 517-521 (2013) | University of Texas Southwestern Medical Center | 2D 3D TSV |
23928358 | 4 | VKORC1L1, an enzyme rescuing the vitamin K 2,3-epoxide reductase activity in some extrahepatic tissues during anticoagulation therapy. | J Biol Chem 288: 28733-42 (2013) | Institut National de Recherche Agronomique (INRA)-Vetagro Sup, Veterinary School of Lyon | 2D 3D TSV |
23928071 | 3 | Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists. | Bioorg Med Chem 21: 5725-37 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23927974 | 12 | Potential neuroprotective flavonoid-based inhibitors of CDK5/p25 from Rhus parviflora. | Bioorg Med Chem Lett 23: 5150-4 (2013) | Kyung Hee University | 2D 3D TSV |
23927973 | 41 | Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold. | Bioorg Med Chem Lett 23: 5239-43 (2013) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
23927971 | 51 | Design, synthesis, and in vitro hMAO-B inhibitory evaluation of some 1-methyl-3,5-diphenyl-4,5-dihydro-1H-pyrazoles. | Bioorg Med Chem Lett 23: 5128-30 (2013) | Universit£ La Sapienza | 2D 3D TSV |
23927720 | 2 | Cell-based medicinal chemistry optimization of high-throughput screening (HTS) hits for orally active antimalarials. Part 1: challenges in potency and absorption, distribution, metabolism, excretion/pharmacokinetics (ADME/PK). | J Med Chem 56: 7741-9 (2013) | Calibr | 2D 3D TSV |
23927683 | 1 | Development of Mycobacterium tuberculosis whole cell screening hits as potential antituberculosis agents. | J Med Chem 56: 7755-60 (2013) | Global Alliance for TB Drug Development (TB Alliance) | 2D 3D TSV |
23927599 | 1 | Cell-based medicinal chemistry optimization of high throughput screening hits for orally active antimalarials. Part 2: hits from SoftFocus kinase and other libraries. | J Med Chem 56: 7750-4 (2013) | University of Cape Town | 2D 3D TSV |
23927550 | 9 | Screen of pseudopeptidic inhibitors of human sirtuins 1-3: two lead compounds with antiproliferative effects in cancer cells. | J Med Chem 56: 6681-95 (2013) | University of Eastern Finland | 2D 3D TSV |
23920485 | 2 | Synthesis of imine-pyrazolopyrimidinones and their mechanistic interventions on anticancer activity. | Bioorg Med Chem 21: 5782-93 (2013) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
23920484 | 22 | Metallo-?-lactamase inhibitory activity of 3-alkyloxy and 3-amino phthalic acid derivatives and their combination effect with carbapenem. | Bioorg Med Chem 21: 5841-50 (2013) | Meiji Seika Pharma, Co., Ltd | 2D 3D TSV |
23920481 | 25 | Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases. | Bioorg Med Chem 21: 5707-24 (2013) | The Institute of Cancer Research | 2D 3D TSV |
23920439 | 21 | Discovery of highly potent and selective D4 ligands by interactive SAR study. | Bioorg Med Chem Lett 23: 5077-81 (2013) | German University in Cairo | 2D 3D TSV |
23920437 | 9 | Identification of quinazolinyloxy biaryl urea as a new class of SUMO activating enzyme 1 inhibitors. | Bioorg Med Chem Lett 23: 5145-9 (2013) | RIKEN | 2D 3D TSV |
23919824 | 18 | Ligand-protein interactions of selective casein kinase 1d inhibitors. | J Med Chem 56: 6819-28 (2013) | Pfizer Inc | 2D 3D TSV |
23919758 | 26 | Discovery and biophysical characterization of 2-amino-oxadiazoles as novel antagonists of PqsR, an important regulator of Pseudomonas aeruginosa virulence. | J Med Chem 56: 6761-74 (2013) | Helmholtz-Institute for Pharmaceutical Research Saarland | 2D 3D TSV |
23919353 | 8 | Polypharmacology - foe or friend? | J Med Chem 56: 8955-71 (2013) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
23919303 | 3 | Novel 1H-pyrrolo[2,3-b]pyridine derivative nortopsentin analogues: synthesis and antitumor activity in peritoneal mesothelioma experimental models. | J Med Chem 56: 7060-72 (2013) | Universit£ degli Studi di Palermo | 2D 3D TSV |
23918626 | 22 | Development of fragment-based n-FABS NMR screening applied to the membrane enzyme FAAH. | Chembiochem 14: 1611-9 (2013) | Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy). | 2D 3D TSV |
23917087 | 32 | Inhibitors of switch kinase 'spleen tyrosine kinase' in inflammation and immune-mediated disorders: a review. | Eur J Med Chem 67: 434-46 (2013) | Punjabi University | 2D 3D TSV |
23916594 | 92 | Synthesis and structure-activity relationships of novel indazolyl glucocorticoid receptor partial agonists. | Bioorg Med Chem Lett 23: 5448-51 (2013) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23916259 | 6 | Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors. | Bioorg Med Chem Lett 23: 5217-22 (2013) | ActivX Biosciences Inc | 2D 3D TSV |
23916258 | 54 | Discovery and SAR of a novel series of GIRK1/2 and GIRK1/4 activators. | Bioorg Med Chem Lett 23: 5195-8 (2013) | Vanderbilt University | 2D 3D TSV |
23916257 | 54 | Discovery and SAR of 5-aminooctahydrocyclopentapyrrole-3a-carboxamides as potent CCR2 antagonists. | Bioorg Med Chem Lett 24: 1239-42 (2014) | Janssen Research and Development LLC | 2D 3D TSV |
23916254 | 44 | The discovery of inhibitors of Fas-mediated cell death pathway using the combined computational method. | Bioorg Med Chem Lett 23: 5155-64 (2013) | Chungnam National University | 2D 3D TSV |
23916253 | 22 | Novel selective inhibitors of aminopeptidases that generate antigenic peptides. | Bioorg Med Chem Lett 23: 4832-6 (2013) | University of California San Diego | 2D 3D TSV |
23916149 | 14 | Investigation of acyclic uridine amide and 5'-amido nucleoside analogues as potential inhibitors of the Plasmodium falciparum dUTPase. | Bioorg Med Chem 21: 5876-85 (2013) | University of Dundee | 2D 3D TSV |
23914927 | 24 | Inhibition of mammalian carbonic anhydrases I-XIV with grayanotoxin III: solution and in silico studies. | J Enzyme Inhib Med Chem 29: 469-75 (2014) | University of Calgary | 2D 3D TSV |
23914900 | 8 | Rotenoids from Boerhaavia diffusa as potential anti-inflammatory agents. | J Nat Prod 76: 1393-8 (2013) | National Institute of Pharmaceutical Education and Research-NIPER | 2D 3D TSV |
23914798 | 4 | Synthesis, structure, and antibiotic activity of aryl-substituted LpxC inhibitors. | J Med Chem 56: 6954-6966 (2013) | Duke University | 2D 3D TSV |
23914286 | 1 | Discovery and characterization of carbamothioylacrylamides as EP | ACS Med Chem Lett 4: 616-621 (2013) | Emory University | 2D 3D TSV |
23914285 | 52 | Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A. | ACS Med Chem Lett 4: 601-605 (2013) | Vanderbilt University School of Medicine | 2D 3D TSV |
23911197 | 24 | Modular construction of quaternary hemiaminal-based inhibitor candidates and their in cellulo assessment with HIV-1 protease. | Bioorg Med Chem 21: 5407-13 (2013) | Universit£ de Lyon - ENS | 2D 3D TSV |
23911092 | 9 | PIF-pocket as a target for C. albicans Pkh selective inhibitors. | ACS Chem Biol 8: 2283-92 (2013) | Universit£tsklinikum Frankfurt | 2D 3D TSV |
23910989 | 60 | Synthesis of novel acridine and bis acridine sulfonamides with effective inhibitory activity against the cytosolic carbonic anhydrase isoforms II and VII. | Bioorg Med Chem 21: 5799-805 (2013) | Dumlup?nar University | 2D 3D TSV |
23910984 | 1 | Adipogenetic effects of retrofractamide A derivatives in 3T3-L1 cells. | Bioorg Med Chem Lett 23: 4813-6 (2013) | Kyoto Pharmaceutical University | 2D 3D TSV |
23910595 | 3 | Synthesis and evaluation of a 125I-labeled iminodihydroquinoline-derived tracer for imaging of voltage-gated sodium channels. | Bioorg Med Chem Lett 23: 5170-3 (2013) | Institute of Nuclear Medicine | 2D 3D TSV |
23909910 | 177 | Structure-activity relationships and pharmacophore model of a noncompetitive pyrazoline containing class of GluN2C/GluN2D selective antagonists. | J Med Chem 56: 6434-56 (2013) | Emory University | 2D 3D TSV |
23906422 | 1 | Identification of novel HDAC inhibitors through cell based screening and their evaluation as potential anticancer agents. | Bioorg Med Chem Lett 23: 4790-3 (2013) | Translational Drug Development, Inc | 2D 3D TSV |
23906342 | 14 | Discovery of a selective kinase inhibitor (TAK-632) targeting pan-RAF inhibition: design, synthesis, and biological evaluation of C-7-substituted 1,3-benzothiazole derivatives. | J Med Chem 56: 6478-94 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23905680 | 8 | Quinazolin-4-one derivatives as selective histone deacetylase-6 inhibitors for the treatment of Alzheimer's disease. | J Med Chem 56: 6775-91 (2013) | National Taiwan University | 2D 3D TSV |
23902803 | 9 | Peripherally restricted CB1 receptor blockers. | Bioorg Med Chem Lett 23: 4751-60 (2013) | Jenrin Discovery | 2D 3D TSV |
23902232 | 42 | 6-methoxy-7-benzofuranoxy and 6-methoxy-7-indolyloxy analogues of 2-[2-(2,6-Dimethoxyphenoxy)ethyl]aminomethyl-1,4-benzodioxane (WB4101):1 discovery of a potent and selective ?1D-adrenoceptor antagonist. | J Med Chem 56: 6402-12 (2013) | Universit£ degli Studi di Milano | 2D 3D TSV |
23900004 | 5 | Quinazoline-based multi-tyrosine kinase inhibitors: synthesis, modeling, antitumor and antiangiogenic properties. | Eur J Med Chem 67: 373-83 (2013) | University of Padova | 2D 3D TSV |
23899692 | 10 | Discovery of a potent and selective DDR1 receptor tyrosine kinase inhibitor. | ACS Chem Biol 8: 2145-50 (2013) | Massachusetts General Hospital and Harvard Medical School | 2D 3D TSV |
23899657 | 3 | Binding of (5S)-penicilloic acid to penicillin binding protein 3. | ACS Chem Biol 8: 2112-6 (2013) | University of Oxford | 2D 3D TSV |
23899618 | 9 | Antithrombotic effects of LB30870, a potent, orally active, selective and direct thrombin inhibitor, and pharmacokinetics of its prodrug. | Bioorg Med Chem Lett 23: 4779-84 (2013) | LG Life Sciences | 2D 3D TSV |
23899615 | 18 | Truncation of the peptide sequence in bifunctional ligands with mu and delta opioid receptor agonist and neurokinin 1 receptor antagonist activities. | Bioorg Med Chem Lett 23: 4975-8 (2013) | University of Arizona | 2D 3D TSV |
23899614 | 60 | Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). | Bioorg Med Chem Lett 23: 4875-85 (2013) | Genentech Inc | 2D 3D TSV |
23899349 | 69 | Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the antithrombotic effect and bleeding for candidate drug AZD1283. | J Med Chem 56: 7015-24 (2013) | AstraZeneca | 2D 3D TSV |
23899323 | 87 | Inverse 1,2,3-triazole-1-yl-ethyl substituted hydroxamates as highly potent matrix metalloproteinase inhibitors: (radio)synthesis, in vitro and first in vivo evaluation. | J Med Chem 56: 6858-70 (2013) | University Hospital M£nster | 2D 3D TSV |
23899291 | 3 | Exquisite selectivity for human toll-like receptor 8 in substituted furo[2,3-c]quinolines. | J Med Chem 56: 6871-85 (2013) | University of Kansas | 2D 3D TSV |
23899248 | 1 | Resistance by allostery: a novel perspective for eg5-targeted drug design. | J Med Chem 56: 6314-6 (2013) | Korea Institute of Science and Technology | 2D 3D TSV |
23897821 | 60 | Histone deacetylase (HDAC) inhibitor kinetic rate constants correlate with cellular histone acetylation but not transcription and cell viability. | J Biol Chem 288: 26926-43 (2013) | Genentech Inc | 2D 3D TSV |
23896611 | 16 | Tetrazole-based deoxyamodiaquines: synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents. | Bioorg Med Chem 21: 4904-13 (2013) | University of Cape Town | 2D 3D TSV |
23896610 | 25 | Effect of ring-constrained phenylpropyloxyethylamines on sigma receptors. | Bioorg Med Chem 21: 4923-7 (2013) | University of Maryland | 2D 3D TSV |
23895630 | 14 | Biochemical characterization of the chloroplastic ß-carbonic anhydrase from Flaveria bidentis (L.) "Kuntze". | J Enzyme Inhib Med Chem 29: 500-4 (2014) | Istituto di Biostrutture e Bioimmagini-CNR | 2D 3D TSV |
23895568 | 4 | Direct and nitroxyl (HNO)-mediated reactions of acyloxy nitroso compounds with the thiol-containing proteins glyceraldehyde 3-phosphate dehydrogenase and alkyl hydroperoxide reductase subunit C. | J Med Chem 56: 6583-92 (2013) | Wake Forest University | 2D 3D TSV |
23895532 | 11 | Structure-activity relationship and in vitro and in vivo evaluation of the potent cytotoxic anti-microtubule agent N-(4-methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-aminium chloride and its analogues as antitumor agents. | J Med Chem 56: 6829-44 (2013) | Duquesne University | 2D 3D TSV |
23895492 | 49 | Toward drugs for protease-activated receptor 2 (PAR2). | J Med Chem 56: 7477-97 (2013) | The University of Queensland | 2D 3D TSV |
23892098 | 29 | The adenosine A(2A) antagonistic properties of selected C8-substituted xanthines. | Bioorg Chem 49: 49-58 (2013) | North-West University, Private Bag X6001, Potchefstroom 2520, South Africa | 2D 3D TSV |
23891231 | 42 | Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors. | Bioorg Med Chem 21: 4928-37 (2013) | Ege University | 2D 3D TSV |
23891187 | 84 | Selective orexin receptor antagonists. | Bioorg Med Chem Lett 23: 4761-9 (2013) | Janssen Pharmaceutica NV | 2D 3D TSV |
23891186 | 28 | Anticonvulsant properties of histamine H3 receptor ligands belonging to N-substituted carbamates of imidazopropanol. | Bioorg Med Chem Lett 23: 4886-91 (2013) | United Arab Emirates University | 2D 3D TSV |
23891184 | 2 | Psammaplysin F: a unique inhibitor of bacterial chromosomal partitioning. | Bioorg Med Chem Lett 23: 4862-6 (2013) | University of New South Wales | 2D 3D TSV |
23891183 | 7 | Peroxisome proliferator-activated receptor delta antagonists inhibit hepatitis C virus RNA replication. | Bioorg Med Chem Lett 23: 4774-8 (2013) | Okayama University | 2D 3D TSV |
23891165 | 12 | 1-Hydroxypyrazole as a bioisostere of the acetic acid moiety in a series of aldose reductase inhibitors. | Bioorg Med Chem 21: 4951-7 (2013) | Aristotle University of Thessaloniki | 2D 3D TSV |
23891163 | 30 | Macamides and their synthetic analogs: evaluation of in vitro FAAH inhibition. | Bioorg Med Chem 21: 5188-97 (2013) | MCPHS University | 2D 3D TSV |
23890837 | 16 | Design and synthesis of bicyclic heterocycles as potent¿-secretase modulators. | Bioorg Med Chem Lett 23: 4794-800 (2013) | Janssen Pharmaceutica NV | 2D 3D TSV |
23890524 | 24 | Synthesis and characterization of time-resolved fluorescence probes for evaluation of competitive binding to melanocortin receptors. | Bioorg Med Chem 21: 5029-38 (2013) | University of Arizona | 2D 3D TSV |
23888932 | 104 | 6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35. | J Med Chem 56: 7084-99 (2013) | University of Bonn | 2D 3D TSV |
23886812 | 16 | Cyclopropane-based conformational restriction of GABA by a stereochemical diversity-oriented strategy: identification of an efficient lead for potent inhibitors of GABA transports. | Bioorg Med Chem 21: 4938-50 (2013) | Hokkaido University | 2D 3D TSV |
23886811 | 4 | Solid phase synthesis of Smac/DIABLO-derived peptides using a 'Safety-Catch' resin: identification of potent XIAP BIR3 antagonists. | Bioorg Med Chem 21: 5004-11 (2013) | Queen's University of Belfast | 2D 3D TSV |
23886807 | 39 | Synthesis and optimization of novel (3S,5R)-5-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)piperidine-3-carboxamides as orally active renin inhibitors. | Bioorg Med Chem 21: 5907-22 (2013) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
23886690 | 24 | 3,4-Dihydroxy- and 3,4-methylenedioxy- phenanthrene-type alkaloids with high selectivity for D2 dopamine receptor. | Bioorg Med Chem Lett 23: 4824-7 (2013) | Universidad de Valencia | 2D 3D TSV |
23886688 | 25 | A novel necroptosis inhibitor-necrostatin-21 and its SAR study. | Bioorg Med Chem Lett 23: 4903-6 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23886687 | 9 | QM-polarized ligand docking accurately predicts the trend in binding affinity of a series of arylmethylene quinuclidine-like derivatives at thea4ß2 anda3ß4 nicotinic acetylcholine receptors (nAChRs). | Bioorg Med Chem Lett 23: 4842-7 (2013) | Targacept Inc | 2D 3D TSV |
23886684 | 36 | Synthesis of quaternarya-amino acid-based arginase inhibitors via the Ugi reaction. | Bioorg Med Chem Lett 23: 4837-41 (2013) | Institutes for Pharmaceutical Discovery , LLC | 2D 3D TSV |
23886683 | 54 | The discovery of potent blockers of the canonical transient receptor channels, TRPC3 and TRPC6, based on an anilino-thiazole pharmacophore. | Bioorg Med Chem Lett 23: 4979-84 (2013) | GlaxoSmithKline | 2D 3D TSV |
23886302 | 74 | Structure-activity relationships of benzimidazole-based glutaminyl cyclase inhibitors featuring a heteroaryl scaffold. | J Med Chem 56: 6613-25 (2013) | Probiodrug AG | 2D 3D TSV |
23884422 | 10 | Roles of phosphate recognition in inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) substrate binding and activation. | J Biol Chem 288: 26908-13 (2013) | McGill University | 2D 3D TSV |
23880542 | 4 | Neuroactive diol and acyloin metabolites from cone snail-associated bacteria. | Bioorg Med Chem Lett 23: 4867-9 (2013) | University of Utah | 2D 3D TSV |
23880539 | 28 | Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode. | Bioorg Med Chem Lett 23: 4911-8 (2013) | Aurigene Discovery Technologies Ltd | 2D 3D TSV |
23880538 | 51 | Access to 7?-analogs of codeine with mixed ?/? agonist activity via 6,7-?-epoxide opening. | Bioorg Med Chem Lett 23: 4870-4 (2013) | University of Texas at Austin | 2D 3D TSV |
23880359 | 19 | 3D-QSAR using pharmacophore-based alignment and virtual screening for discovery of novel MCF-7 cell line inhibitors. | Eur J Med Chem 67: 344-51 (2013) | University of Siena | 2D 3D TSV |
23880358 | 41 | Probes for narcotic receptor mediated phenomena. 48. C7- and C8-substituted 5-phenylmorphan opioids from diastereoselective alkylation. | Eur J Med Chem 67: 335-43 (2013) | National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism | 2D 3D TSV |
23880081 | 8 | Rapid modifications of N-substitution in iminosugars: development of newß-glucocerebrosidase inhibitors and pharmacological chaperones for Gaucher disease. | Bioorg Med Chem 21: 5021-8 (2013) | Genomics Research Center | 2D 3D TSV |
23879463 | 36 | A medicinal chemistry perspective for targeting histone H3 lysine-79 methyltransferase DOT1L. | J Med Chem 56: 8972-83 (2013) | Baylor College of Medicine | 2D 3D TSV |
23879431 | 11 | Structure-efficiency relationship of [1,2,4]triazol-3-ylamines as novel nicotinamide isosteres that inhibit tankyrases. | J Med Chem 56: 7049-59 (2013) | Novartis Institutes for Biomedical Research Incorporated | 2D 3D TSV |
23879381 | 17 | Structure-guided design of novel thiazolidine inhibitors of O-acetyl serine sulfhydrylase from Mycobacterium tuberculosis. | J Med Chem 56: 6457-66 (2013) | Karolinska Institutet | 2D 3D TSV |
23879299 | 12 | Synthesis and evaluation of novel radioligands for positron emission tomography imaging of the orexin-2 receptor. | J Med Chem 56: 6371-85 (2013) | Eisai Co., Ltd | 2D 3D TSV |
23876987 | 4 | Synthesis and SAR of 4-aminocyclopentapyrrolidines as orally active N-type calcium channel inhibitors for inflammatory and neuropathic pain. | Bioorg Med Chem Lett 23: 4857-61 (2013) | Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com | 2D 3D TSV |
23876004 | 3 | Absolute configuration of acremoxanthone C, a potent calmodulin inhibitor from Purpureocillium lilacinum. | J Nat Prod 76: 1454-60 (2013) | Universidad Nacional Aut£noma de M£xico | 2D 3D TSV |
23875972 | 3 | Mitotic kinesin Eg5 overcomes inhibition to the phase I/II clinical candidate SB743921 by an allosteric resistance mechanism. | J Med Chem 56: 6317-29 (2013) | The Beatson Institute for Cancer Research | 2D 3D TSV |
23871912 | 36 | A structure-activity relationship study of 1,2,4-triazolo[1,5-a][1,3,5]triazin-5,7-dione and its 5-thioxo analogues on anti-thymidine phosphorylase and associated anti-angiogenic activities. | Eur J Med Chem 67: 325-34 (2013) | National University of Singapore | 2D 3D TSV |
23871907 | 64 | Discovery and biological evaluation of novel 1,4-benzoquinone and related resorcinol derivatives that inhibit 5-lipoxygenase. | Eur J Med Chem 67: 269-79 (2013) | University of Salerno | 2D 3D TSV |
23871903 | 2 | Microwave assisted synthesis of some hybrid molecules derived from norfloxacin and investigation of their biological activities. | Eur J Med Chem 67: 230-42 (2013) | Karadeniz Technical University | 2D 3D TSV |
23871902 | 42 | An expedient, ionic liquid mediated multi-component synthesis of novel piperidone grafted cholinesterase enzymes inhibitors and their molecular modeling study. | Eur J Med Chem 67: 221-9 (2013) | Universiti Sains Malaysia | 2D 3D TSV |
23871442 | 88 | Defining the key pharmacophore elements of PF-04620110: discovery of a potent, orally-active, neutral DGAT-1 inhibitor. | Bioorg Med Chem 21: 5081-97 (2013) | Pfizer Inc | 2D 3D TSV |
23870430 | 55 | 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors. | Bioorg Med Chem Lett 23: 5014-21 (2013) | Genentech | 2D 3D TSV |
23869564 | 9 | Biological and structural evaluation of 10R- and 10S-methylthio-DDACTHF reveals a new role for sulfur in inhibition of glycinamide ribonucleotide transformylase. | Biochemistry 52: 5133-44 (2013) | The Scripps Research Institute | 2D 3D TSV |
23869452 | 67 | Cushing's syndrome: development of highly potent and selective CYP11B1 inhibitors of the (pyridylmethyl)pyridine type. | J Med Chem 56: 6022-32 (2013) | Saarland University | 2D 3D TSV |
23867602 | 122 | Lead identification of novel and selective TYK2 inhibitors. | Eur J Med Chem 67: 175-87 (2013) | Genentech | 2D 3D TSV |
23867390 | 37 | Evaluation of novel aryloxyalkyl derivatives of imidazole and 1,2,4-triazole as heme oxygenase-1 (HO-1) inhibitors and their antitumor properties. | Bioorg Med Chem 21: 5145-53 (2013) | University of Catania | 2D 3D TSV |
23867389 | 57 | Carbonic anhydrase inhibitors: Synthesis and inhibition of the cytosolic mammalian carbonic anhydrase isoforms I, II and VII with benzene sulfonamides incorporating 4,5,6,7-tetrachlorophthalimide moiety. | Bioorg Med Chem 21: 5168-74 (2013) | Birla Institute of Technology | 2D 3D TSV |
23867388 | 1 | Catalytic asymmetric total synthesis of (S)-(-)-zearalenone, a novel lipoxygenase inhibitor. | Bioorg Med Chem 21: 5271-4 (2013) | University of Groningen | 2D 3D TSV |
23867386 | 31 | In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures. | Bioorg Med Chem 21: 5323-31 (2013) | Northwestern University | 2D 3D TSV |
23867168 | 1 | Structure activity relationship study of benzo[d]thiazol-2(3H)one baseds receptor ligands. | Bioorg Med Chem Lett 23: 5011-3 (2013) | University of Mississippi | 2D 3D TSV |
23867165 | 21 | Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5. | Bioorg Med Chem Lett 23: 4944-7 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23867164 | 27 | Identification of GNE-293, a potent and selective PI3Kd inhibitor: navigating in vitro genotoxicity while improving potency and selectivity. | Bioorg Med Chem Lett 23: 4953-9 (2013) | Genentech | 2D 3D TSV |
23865723 | 169 | Therapeutic utility of cannabinoid receptor type 2 (CB(2)) selective agonists. | Cell Chem Biol 56: 8224-56 (2013) | Arena Pharmaceuticals | 2D 3D TSV |
23865683 | 7 | Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well asß²- epi-Azumamide E andß³-epi-Azumamide E. | J Med Chem 56: 6512-20 (2013) | Technical University of Denmark | 2D 3D TSV |
23864660 | 3 | Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid-assisted flavoprotein strategy for regioselective aromatic hydroxylation. | J Biol Chem 288: 26235-45 (2013) | Wageningen University | 2D 3D TSV |
23860593 | 17 | Novelß-dicarbonyl derivatives as inhibitors of aminopeptidase N (APN). | Bioorg Med Chem Lett 23: 4948-52 (2013) | Shandong University | 2D 3D TSV |
23860591 | 38 | Selected furanochalcones as inhibitors of monoamine oxidase. | Bioorg Med Chem Lett 23: 4985-9 (2013) | North-West University | 2D 3D TSV |
23859780 | 5 | Cembrane diterpenoids from the soft coral Sarcophyton trocheliophorum Marenzeller as a new class of PTP1B inhibitors. | Bioorg Med Chem 21: 5076-80 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23859778 | 107 | 2-Substituted 4-hydroxybutanamides as potential inhibitors of ?-aminobutyric acid transporters mGAT1-mGAT4: synthesis and biological evaluation. | Bioorg Med Chem 21: 5154-67 (2013) | Jagiellonian University Medical College | 2D 3D TSV |
23859777 | 5 | Synthesis and biological evaluation of novobiocin analogues as potential heat shock protein 90 inhibitors. | Bioorg Med Chem 21: 5118-29 (2013) | University of Arizona | 2D 3D TSV |
23859774 | 64 | 5-Substituted-(1,2,3-triazol-4-yl)thiophene-2-sulfonamides strongly inhibit human carbonic anhydrases I, II, IX and XII: solution and X-ray crystallographic studies. | Bioorg Med Chem 21: 5130-8 (2013) | Latvian Association of Human Genetics | 2D 3D TSV |
23859149 | 76 | Highly potent and selective nonsteroidal dual inhibitors of CYP17/CYP11B2 for the treatment of prostate cancer to reduce risks of cardiovascular diseases. | J Med Chem 56: 6101-7 (2013) | Saarland University & Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
23859118 | 60 | Structure-based discovery of novel amide-containing nicotinamide phosphoribosyltransferase (nampt) inhibitors. | J Med Chem 56: 6413-33 (2013) | Forma Therapeutics Inc | 2D 3D TSV |
23859074 | 189 | Toxoflavins and deazaflavins as the first reported selective small molecule inhibitors of tyrosyl-DNA phosphodiesterase II. | J Med Chem 56: 6352-70 (2013) | University of Manchester | 2D 3D TSV |
23856050 | 28 | Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: prime side chromane-containing inhibitors. | Bioorg Med Chem Lett 23: 4674-9 (2013) | Elan Pharmaceuticals | 2D 3D TSV |
23856049 | 50 | Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: optimization of kinase selectivity and pharmacokinetics. | Bioorg Med Chem Lett 23: 4511-6 (2013) | OSI Pharmaceuticals LLC | 2D 3D TSV |
23856046 | 41 | Discovery, synthesis, and structure-activity relationships of 2-aminoquinazoline derivatives as a novel class of metabotropic glutamate receptor 5 negative allosteric modulators. | Bioorg Med Chem Lett 23: 4493-500 (2013) | Merz Pharmaceuticals GmbH | 2D 3D TSV |
23855889 | 13 | Exploring the orthosteric binding site of the ?-aminobutyric acid type A receptor using 4-(Piperidin-4-yl)-1-hydroxypyrazoles 3- or 5-imidazolyl substituted: design, synthesis, and pharmacological evaluation. | J Med Chem 56: 6536-40 (2013) | University of Copenhagen | 2D 3D TSV |
23855836 | 147 | 1-substituted (Dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-ones endowed with dual DNA-PK/PI3-K inhibitory activity. | J Med Chem 56: 6386-401 (2013) | Newcastle University | 2D 3D TSV |
23855811 | 14 | The importance of hydrogen bonding and aromatic stacking to the affinity and efficacy of cannabinoid receptor CB2 antagonist, 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-[(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]-1H-pyrazole-3-carboxamide (SR144528). | J Med Chem 56: 6593-612 (2013) | University of Texas-Pan American | 2D 3D TSV |
23853092 | 3 | Histone deacetylase 7 promotes Toll-like receptor 4-dependent proinflammatory gene expression in macrophages. | J Biol Chem 288: 25362-74 (2013) | University of Queensland | 2D 3D TSV |
23851116 | 13 | Synthesis and biological evaluation of pyrazolo[4,3-d]pyrimidine analogues. | Eur J Med Chem 67: 152-7 (2013) | Sichuan University | 2D 3D TSV |
23851114 | 73 | Synthesis and biological evaluation of flavones and benzoflavones as inhibitors of BCRP/ABCG2. | Eur J Med Chem 67: 115-26 (2013) | University of Bonn | 2D 3D TSV |
23850568 | 5 | The effect of novel [3-fluoro-(2-phosphonoethoxy)propyl]purines on the inhibition of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases. | Eur J Med Chem 67: 81-9 (2013) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
23850203 | 11 | Molecular design, synthesis and biological evaluation of 1,4-dihydro-4-oxoquinoline ribonucleosides as TcGAPDH inhibitors with trypanocidal activity. | Bioorg Med Chem Lett 23: 4597-601 (2013) | da Universidade de S£o Paulo | 2D 3D TSV |
23850200 | 36 | A novel series of metabotropic glutamate receptor 5 negative allosteric modulators based on a 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine core. | Bioorg Med Chem Lett 23: 4523-7 (2013) | Addex Therapeutics | 2D 3D TSV |
23850199 | 89 | Discovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors. | Bioorg Med Chem Lett 23: 4501-5 (2013) | Takeda California Inc | 2D 3D TSV |
23850198 | 100 | Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1. | Bioorg Med Chem Lett 23: 4517-22 (2013) | OSI Pharmaceuticals LLC | 2D 3D TSV |
23849879 | 23 | 1,2,4-Triazole derivatives as transient inactivators of kallikreins involved in skin diseases. | Bioorg Med Chem Lett 23: 4547-51 (2013) | Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) | 2D 3D TSV |
23849206 | 22 | One-pot tandem Hurtley-retro-Claisen-cyclisation reactions in the synthesis of 3-substituted analogues of 5-aminoisoquinolin-1-one (5-AIQ), a water-soluble inhibitor of PARPs. | Bioorg Med Chem 21: 5218-27 (2013) | University of Bath | 2D 3D TSV |
23849204 | 57 | 3-Carboxamido-5-aryl-isoxazoles as new CB2 agonists for the treatment of colitis. | Bioorg Med Chem 21: 5383-94 (2013) | Universit£ Lille Nord de France | 2D 3D TSV |
23848232 | 24 | Design and synthesis of imidazolidine-2,4-dione derivatives as selective inhibitors by targeting protein tyrosine phosphatase-1B over T-cell protein tyrosine phosphatase. | Chem Biol Drug Des 82: 595-602 (2013) | Tianjin Medical University | 2D 3D TSV |
23845281 | 25 | Discovery of 2-methyl-1-{1-[(5-methyl-1H-indol-2-yl)carbonyl]piperidin-4-yl}propan-2-ol: a novel, potent and selective type 5 17ß-hydroxysteroid dehydrogenase inhibitor. | Bioorg Med Chem 21: 5261-70 (2013) | Astellas Pharma Inc | 2D 3D TSV |
23845220 | 53 | Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors. | Bioorg Med Chem Lett 23: 5244-8 (2013) | Bristol-Myers Squibb R & D | 2D 3D TSV |
23845219 | 142 | Structure guided design of a series of sphingosine kinase (SphK) inhibitors. | Bioorg Med Chem Lett 23: 4608-16 (2013) | Amgen Inc | 2D 3D TSV |
23845218 | 86 | 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11ß-HSD1 inhibitors for the treatment of diabetes. | Bioorg Med Chem Lett 23: 4685-91 (2013) | Sanofi Deutschland GmbH | 2D 3D TSV |
23845217 | 30 | Synthesis of novel diarylamino-1,3,5-triazine derivatives as FAK inhibitors with anti-angiogenic activity. | Bioorg Med Chem Lett 23: 4552-6 (2013) | University of Paris | 2D 3D TSV |
23845180 | 3 | Carbamoyl pyridone HIV-1 integrase inhibitors 3. A diastereomeric approach to chiral nonracemic tricyclic ring systems and the discovery of dolutegravir (S/GSK1349572) and (S/GSK1265744). | J Med Chem 56: 5901-16 (2013) | GlaxoSmithKline Research & Development | 2D 3D TSV |
23844670 | 52 | Optimization of N-benzoylindazole derivatives as inhibitors of human neutrophil elastase. | J Med Chem 56: 6259-72 (2013) | Universit£ degli Studi di Firenze | 2D 3D TSV |
23844574 | 71 | Identification of NVP-TNKS656: the use of structure-efficiency relationships to generate a highly potent, selective, and orally active tankyrase inhibitor. | J Med Chem 56: 6495-511 (2013) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
23842519 | 116 | Inhibition of tumor-associated human carbonic anhydrase isozymes IX and XII by a new class of substituted-phenylacetamido aromatic sulfonamides. | Bioorg Med Chem 21: 5228-32 (2013) | Bezmialem Vakif University | 2D 3D TSV |
23842474 | 53 | Mitigation of cardiovascular toxicity in a series of CSF-1R inhibitors, and the identification of AZD7507. | Bioorg Med Chem Lett 23: 4591-6 (2013) | AstraZeneca | 2D 3D TSV |
23839987 | 6 | Laccaic acid A is a direct, DNA-competitive inhibitor of DNA methyltransferase 1. | J Biol Chem 288: 23858-67 (2013) | University of Iowa | 2D 3D TSV |
23839942 | 19 | Heterodimerization with Its splice variant blocks the ghrelin receptor 1a in a non-signaling conformation: a study with a purified heterodimer assembled into lipid discs. | J Biol Chem 288: 24656-65 (2013) | Université Montpellier 1 | 2D 3D TSV |
23838422 | 22 | Synthesis, pharmacological assessment, and molecular modeling of 6-chloro-pyridonepezils: new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease. | Eur J Med Chem 67: 64-74 (2013) | Instituto de Qu£mica Org£nica General (CSIC) | 2D 3D TSV |
23838381 | 38 | Discovery and optimization of novel 4-phenoxy-6,7-disubstituted quinolines possessing semicarbazones as c-Met kinase inhibitors. | Bioorg Med Chem 21: 5246-60 (2013) | Shenyang Pharmaceutical University | 2D 3D TSV |
23838260 | 86 | Discovery of 'molecular switches' within a GIRK activator scaffold that afford selective GIRK inhibitors. | Bioorg Med Chem Lett 23: 4562-6 (2013) | Northwest Agriculture & Forestry University | 2D 3D TSV |
23837797 | 2 | LDK378: a promising anaplastic lymphoma kinase (ALK) inhibitor. | J Med Chem 56: 5673-4 (2014) | University of Michigan Comprehensive Cancer Center | 2D 3D TSV |
23837744 | 50 | Atropisomeric 4-phenyl-4H-1,2,4-triazoles as selective glycine transporter 1 inhibitors. | J Med Chem 56: 5744-56 (2014) | Astellas Pharma Inc | 2D 3D TSV |
23835447 | 32 | Imidazolium-based warheads strongly influence activity of water-soluble peptidic transglutaminase inhibitors. | Eur J Med Chem 66: 526-30 (2013) | Aston University | 2D 3D TSV |
23834438 | 10 | Design, synthesis, and optimization of novel epoxide incorporating peptidomimetics as selective calpain inhibitors. | J Med Chem 56: 6054-68 (2013) | University of Illinois College of Pharmacy | 2D 3D TSV |
23831808 | 42 | Identification of novel chromone based sulfonamides as highly potent and selective inhibitors of alkaline phosphatases. | Eur J Med Chem 66: 438-49 (2013) | Forman Christian College (A Chartered University) | 2D 3D TSV |
23831135 | 29 | Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif. | Bioorg Med Chem Lett 23: 4571-8 (2013) | Pfizer Inc | 2D 3D TSV |
23831134 | 72 | Discovery and optimisation of 1-hydroxyimino-3,3-diphenylpropanes, a new class of orally active GPBAR1 (TGR5) agonists. | Bioorg Med Chem Lett 23: 4627-32 (2013) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
23830697 | 2 | Synthesis and evaluation of 1-[2-(4-[(11)C]methoxyphenyl)phenyl]piperazine for imaging of the serotonin 5-HT7 receptor in the rat brain. | Bioorg Med Chem 21: 5316-22 (2013) | National Institute of Radiological Sciences | 2D 3D TSV |
23830695 | 1 | Structure-activity relationship studies of Niemann-Pick type C1-like 1 (NPC1L1) ligands identified by screening assay monitoring pharmacological chaperone effect. | Bioorg Med Chem 21: 5297-309 (2013) | The University of Tokyo | 2D 3D TSV |
23830504 | 1 | Synthesis and in vitro cellular uptake of 11C-labeled 5-aminolevulinic acid derivative to estimate the induced cellular accumulation of protoporphyrin IX. | Bioorg Med Chem Lett 23: 4567-70 (2013) | National Institute of Radiological Sciences | 2D 3D TSV |
23829549 | 145 | The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents. | J Med Chem 56: 6069-87 (2013) | EntreMed Inc. | 2D 3D TSV |
23829517 | 30 | A novel series of highly potent 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitors. | J Med Chem 56: 6234-47 (2013) | Palack£ University | 2D 3D TSV |
23829483 | 32 | Discovery of potent, isoform-selective inhibitors of histone deacetylase containing chiral heterocyclic capping groups and a N-(2-aminophenyl)benzamide binding unit. | J Med Chem 56: 6156-74 (2013) | University College London | 2D 3D TSV |
23828198 | 7 | Key mutations alter the cytochrome P450 BM3 conformational landscape and remove inherent substrate bias. | J Biol Chem 288: 25387-99 (2013) | University of Manchester | 2D 3D TSV |
23827177 | 33 | Design and synthesis of novel 4-(4-oxo-2-arylthiazolidin-3-yl)benzenesulfonamides as selective inhibitors of carbonic anhydrase IX over I and II with potential anticancer activity. | Eur J Med Chem 66: 372-9 (2013) | Manipal College of Pharmaceutical Sciences | 2D 3D TSV |
23824585 | 8 | DXP synthase-catalyzed C-N bond formation: nitroso substrate specificity studies guide selective inhibitor design. | Chembiochem 14: 1309-15 (2013) | The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA | 2D 3D TSV |
23822516 | 142 | Cyclic enkephalins with a diversely substituted guanidine bridge or a thiourea bridge: synthesis, biological and structural evaluations. | J Med Chem 56: 5964-5973 (2013) | Universit£ Montpellier 1 | 2D 3D TSV |
23822179 | 17 | Synthesis and structure-activity relationship studies of O-biphenyl-3-yl carbamates as peripherally restricted fatty acid amide hydrolase inhibitors. | J Med Chem 56: 5917-30 (2014) | Fondazione Istituto Italiano di Tecnologia | 2D 3D TSV |
23820574 | 89 | Novel N-hydroxyfurylacrylamide-based histone deacetylase (HDAC) inhibitors with branched CAP group (Part 2). | Bioorg Med Chem 21: 5339-54 (2013) | China Pharmaceutical University | 2D 3D TSV |
23820387 | 9 | Synthesis and the 5-HT6 receptor antagonistic effect of 3-arylsulfonylamino-5,6-dihydro-6-substituted pyrazolo[3,4]pyridinones for neuropathic pain treatment. | Bioorg Med Chem Lett 23: 4696-700 (2013) | Korea Institutes of Science and Technology (KIST) | 2D 3D TSV |
23820386 | 32 | Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K. | Bioorg Med Chem Lett 23: 4652-6 (2013) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
23819803 | 32 | DXR inhibition by potent mono- and disubstituted fosmidomycin analogues. | J Med Chem 56: 6190-9 (2013) | Uppsala University | 2D 3D TSV |
23816371 | 6 | Identification of N-substituted 8-azatetrahydroquinolone derivatives as selective and orally active M(1) and M(4) muscarinic acetylcholine receptors agonists. | Bioorg Med Chem Lett 23: 4644-7 (2013) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
23816046 | 8 | Synthesis and in vivo evaluation of [(18)F]2-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione ([(18)F]FECUMI-101) as an imaging probe for 5-HT1A receptor agonist in nonhuman primates. | Bioorg Med Chem 21: 5598-604 (2013) | Columbia University Medical Center | 2D 3D TSV |
23816044 | 24 | Autotaxin inhibition: development and application of computational tools to identify site-selective lead compounds. | Bioorg Med Chem 21: 5548-60 (2013) | The University of Memphis | 2D 3D TSV |
23816043 | 2 | Antiproliferative activity on human prostate carcinoma cell lines of new peptidomimetics containing the spiroazepinoindolinone scaffold. | Bioorg Med Chem 21: 5470-9 (2013) | Universit£ degli Studi di Milano | 2D 3D TSV |
23816042 | 16 | Synthetic studies of centromere-associated protein-E (CENP-E) inhibitors: 1.Exploration of fused bicyclic core scaffolds using electrostatic potential map. | Bioorg Med Chem 21: 5488-502 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23815186 | 1 | 4-Amino-7-chloroquinolines: probing ligand efficiency provides botulinum neurotoxin serotype A light chain inhibitors with significant antiprotozoal activity. | J Med Chem 56: 5860-71 (2014) | University of Belgrade | 2D 3D TSV |
23815159 | 58 | A class of sulfonamides with strong inhibitory action against the ?-carbonic anhydrase from Trypanosoma cruzi. | J Med Chem 56: 5773-81 (2013) | Istanbul University | 2D 3D TSV |
23815100 | 14 | 3-substituted indole inhibitors against Francisella tularensis FabI identified by structure-based virtual screening. | J Med Chem 56: 5275-87 (2014) | Naval Research Laboratories | 2D 3D TSV |
23814642 | 1 | ABSOLUTE CONFIGURATION AND BIOLOGICAL PROPERTIES OF ENANTIOMERS OF CFTR INHIBITOR BPO-27. | ACS Med Chem Lett 4: 456-459 (2013) | University of California | 2D 3D TSV |
23812503 | 55 | MICE models: superior to the HERG model in predicting Torsade de Pointes. | Sci Rep 3: (2013) | ChanTest Corporation | 2D 3D TSV |
23811091 | 20 | Quercitylcinnamates, a new series of antidiabetic bioconjugates possessinga-glucosidase inhibition and antioxidant. | Eur J Med Chem 66: 296-304 (2013) | Chulalongkorn University | 2D 3D TSV |
23811088 | 26 | Modulation ofavß3- anda5ß1-integrin-mediated adhesion by dehydro-ß-amino acids containing peptidomimetics. | Eur J Med Chem 66: 258-68 (2013) | University of Bologna | 2D 3D TSV |
23810677 | 3 | Solid-phase synthesis of 5'-triphosphate 2'-5'-oligoadenylates analogs with 3'-O-biolabile groups and their evaluation as RNase L activators and antiviral drugs. | Bioorg Med Chem 21: 5461-9 (2013) | University of Montpellier | 2D 3D TSV |
23810676 | 13 | Oxazolopyridines and thiazolopyridines as monoamine oxidase B inhibitors for the treatment of Parkinson's disease. | Bioorg Med Chem 21: 5480-7 (2013) | Korea Institute of Science and Technology | 2D 3D TSV |
23810675 | 42 | Synthesis, evaluation and molecular dynamics study of some new 4-aminopyridine semicarbazones as an antiamnesic and cognition enhancing agents. | Bioorg Med Chem 21: 5451-60 (2013) | Banaras Hindu University | 2D 3D TSV |
23810674 | 13 | Investigations on synthesis and structure elucidation of novel [1,2,4]triazolo[1,2-a]pyridazine-1-thiones and their inhibitory activity against inducible nitric oxide synthase. | Bioorg Med Chem 21: 5518-31 (2013) | Ernst-Moritz-Arndt University Greifswald | 2D 3D TSV |
23810673 | 107 | Synthesis anda-glucosidase inhibitory activity evaluation of N-substituted aminomethyl-ß-d-glucopyranosides. | Bioorg Med Chem 21: 5442-50 (2013) | Xi'an Jiaotong University | 2D 3D TSV |
23810672 | 3 | A 2,6,9-hetero-trisubstituted purine inhibitor exhibits potent biological effects against multiple myeloma cells. | Bioorg Med Chem 21: 5618-28 (2013) | University of Toronto | 2D 3D TSV |
23810497 | 51 | Hydantoin based inhibitors of MMP13--discovery of AZD6605. | Bioorg Med Chem Lett 23: 4705-12 (2013) | AstraZeneca | 2D 3D TSV |
23810496 | 31 | Synthesis and biological evaluation of aminobenzimidazole derivatives with a phenylcyclohexyl acetic acid group as anti-obesity and anti-diabetic agents. | Bioorg Med Chem Lett 23: 4713-8 (2013) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
23810425 | 10 | Design and synthesis of novel series of 5-HT6 receptor ligands having indole, a central aromatic core and 1-amino-4 methyl piperazine as a positive ionizable group. | Bioorg Med Chem 21: 5573-82 (2013) | Ewha Womans University | 2D 3D TSV |
23810424 | 23 | Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase. | Bioorg Med Chem 21: 5629-46 (2013) | Industrial Research Ltd | 2D 3D TSV |
23809172 | 9 | C-Glucosides with heteroaryl thiophene as novel sodium-dependent glucose cotransporter 2 inhibitors. | Bioorg Med Chem 21: 5561-72 (2013) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
23808805 | 42 | Carbonic anhydrase inhibitors. Phenols incorporating 2- or 3-pyridyl-ethenylcarbonyl and tertiary amine moieties strongly inhibit Saccharomyces cerevisiae ß-carbonic anhydrase. | J Enzyme Inhib Med Chem 29: 495-9 (2014) | Ataturk University | 2D 3D TSV |
23808545 | 12 | Discovery of RG7388, a potent and selective p53-MDM2 inhibitor in clinical development. | J Med Chem 56: 5979-83 (2014) | Roche Research Center | 2D 3D TSV |
23808489 | 11 | 2-[(3aR,4R,5S,7aS)-5-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy}-4-(2-methylphenyl)octahydro-2H-isoindol-2-yl]-1,3-oxazol-4(5H)-one: a potent human NK1 receptor antagonist with multiple clearance pathways. | J Med Chem 56: 5940-8 (2014) | Merck Research Laboratories | 2D 3D TSV |
23808327 | 29 | Optimization of ligand and lipophilic efficiency to identify an in vivo active furano-pyrimidine Aurora kinase inhibitor. | J Med Chem 56: 5247-60 (2014) | National Health Research Institutes | 2D 3D TSV |
23807824 | 3 | Non-imidazole histamine H | Med Chem Res 22: 3640-3652 (2013) | Medical University | 2D 3D TSV |
23807114 | 12 | Exploring 4-substituted-2-thiazolylhydrazones from 2-, 3-, and 4-acetylpyridine as selective and reversible hMAO-B inhibitors. | Eur J Med Chem 66: 221-7 (2013) | Sapienza University of Rome | 2D 3D TSV |
23807113 | 6 | Discovery of novel tetrahydro-pyrazolo [4,3-c] pyridines for the treatment of neuropathic pain: synthesis and neuropharmacology. | Eur J Med Chem 66: 211-20 (2013) | Birla Institute of Technology & Science - Pilani | 2D 3D TSV |
23806555 | 8 | Development of stapled short helical peptides capable of inhibiting vitamin D receptor (VDR)-coactivator interactions. | Bioorg Med Chem Lett 23: 4292-6 (2013) | National Institute of Health Sciences | 2D 3D TSV |
23806554 | 36 | 3-Aryl-3-arylmethoxyazetidines. A new class of high affinity ligands for monoamine transporters. | Bioorg Med Chem Lett 23: 4404-7 (2013) | University of New Orleans | 2D 3D TSV |
23806553 | 7 | Discovery of triazines as potent, selective and orally active PDE4 inhibitors. | Bioorg Med Chem Lett 23: 4308-14 (2013) | BioCrea GmbH | 2D 3D TSV |
23806111 | 5 | Potential of lichen secondary metabolites against Plasmodium liver stage parasites with FAS-II as the potential target. | J Nat Prod 76: 1064-70 (2013) | University of London | 2D 3D TSV |
23803585 | 7 | Effects of the methoxy group in the side chain of debromoaplysiatoxin on its tumor-promoting and anti-proliferative activities. | Bioorg Med Chem Lett 23: 4319-23 (2013) | Kyoto University | 2D 3D TSV |
23803221 | 15 | 3'-Oxo-, amino-, thio- and sulfone-acetic acid modified thymidines: effect of increased acidity on ribonuclease A inhibition. | Bioorg Med Chem 21: 4634-45 (2013) | Institute of Technology Kharagpur | 2D 3D TSV |
23802889 | 50 | Heteroaromatic and aniline derivatives of piperidines as potent ligands for vesicular acetylcholine transporter. | J Med Chem 56: 6216-33 (2013) | Washington University | 2D 3D TSV |
23800686 | 45 | Mono-carbonyl curcumin analogues as 11ß-hydroxysteroid dehydrogenase 1 inhibitors. | Bioorg Med Chem Lett 23: 4362-6 (2013) | Wenzhou Medical College | 2D 3D TSV |
23799643 | 5 | Design, synthesis, and evaluation of multitarget-directed resveratrol derivatives for the treatment of Alzheimer's disease. | J Med Chem 56: 5843-59 (2014) | Sun Yat-sen University | 2D 3D TSV |
23796768 | 15 | Design and synthesis of conformationally restricted capsaicin analogues based in the 1, 3, 4-thiadiazole heterocycle reveal a novel family of transient receptor potential vanilloid 1 (TRPV1) antagonists. | Eur J Med Chem 66: 193-203 (2013) | University of Concepcion | 2D 3D TSV |
23796454 | 12 | Sandmeyer reaction repurposed for the site-selective, non-oxidizing radioiodination of fully-deprotected peptides: studies on the endogenous opioid peptide ?-neoendorphin. | Bioorg Med Chem Lett 23: 4347-50 (2013) | Memorial Sloan-Kettering Cancer Center | 2D 3D TSV |
23796453 | 21 | Pin1 inhibitors: Pitfalls, progress and cellular pharmacology. | Bioorg Med Chem Lett 23: 4283-91 (2013) | Horizon Discovery | 2D 3D TSV |
23795939 | 5 | 11ß-HSD1 inhibitors from Walsura cochinchinensis. | J Nat Prod 76: 1319-27 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23795771 | 94 | Selective cannabinoid receptor type 2 (CB2) agonists: optimization of a series of purines leading to the identification of a clinical candidate for the treatment of osteoarthritic pain. | J Med Chem 56: 5722-33 (2013) | Lilly Research Laboratories | 2D 3D TSV |
23795713 | 2 | Thiazolylaminomannosides as potent antiadhesives of type 1 piliated Escherichia coli isolated from Crohn's disease patients. | J Med Chem 56: 5395-406 (2014) | LUNAM Universit£ | 2D 3D TSV |
23795283 | 18 | Synthesis, Activity and Metabolic Stability of Non-Ribose Containing Inhibitors of Histone Methyltransferase DOT1L. | Medchemcomm 4: 822-826 (2013) | Baylor College of Medicine | 2D 3D TSV |
23795241 | 6 | Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase. | ACS Med Chem Lett 4: 542-546 (2013) | Baylor College of Medicine | 2D 3D TSV |
23795239 | 62 | L-Aminoacyl-triazine derivatives are isoform-selective PI3K? inhibitors that target non-conserved Asp862 of PI3K? | ACS Med Chem Lett 4: 206-210 (2013) | Monash University (Parkville Campus) | 2D 3D TSV |
23792961 | 10 | Site-specific inhibitory mechanism for amyloid ß42 aggregation by catechol-type flavonoids targeting the Lys residues. | J Biol Chem 288: 23212-24 (2013) | Kyoto University | 2D 3D TSV |
23792351 | 15 | Nonclassical antifolates, part 4. 5-(2-aminothiazol-4-yl)-4-phenyl-4H-1,2,4-triazole-3-thiols as a new class of DHFR inhibitors: synthesis, biological evaluation and molecular modeling study. | Eur J Med Chem 66: 135-45 (2013) | King Saud University | 2D 3D TSV |
23792350 | 53 | Synthesis and pharmacological evaluation of new N-phenylpiperazine derivatives designed as homologues of the antipsychotic lead compound LASSBio-579. | Eur J Med Chem 66: 122-34 (2013) | Universidade Federal do Rio de Janeiro | 2D 3D TSV |
23792318 | 10 | Nitric oxide donating anilinopyrimidines: synthesis and biological evaluation as EGFR inhibitors. | Eur J Med Chem 66: 82-90 (2013) | China Pharmaceutical University | 2D 3D TSV |
23792316 | 40 | Design, synthesis and preliminary evaluation of a series of histone deacetylase inhibitors carrying a benzodiazepine ring. | Eur J Med Chem 66: 56-68 (2013) | University of Florence | 2D 3D TSV |
23791868 | 35 | Control of the intracellular levels of prostaglandin E2 through inhibition of the 15-hydroxyprostaglandin dehydrogenase for wound healing. | Bioorg Med Chem 21: 4477-84 (2013) | Chungbuk National University | 2D 3D TSV |
23791569 | 3 | Effects of (-)-epicatechin and derivatives on nitric oxide mediated induction of mitochondrial proteins. | Bioorg Med Chem Lett 23: 4441-6 (2013) | University of California | 2D 3D TSV |
23791367 | 3 | Anticancer activity and SAR studies of substituted 1,4-naphthoquinones. | Bioorg Med Chem 21: 4662-9 (2013) | The Ohio State University | 2D 3D TSV |
23791077 | 12 | Selective inhibition of human acetylcholinesterase by xanthine derivatives: in vitro inhibition and molecular modeling investigations. | Bioorg Med Chem Lett 23: 4336-41 (2013) | University of Waterloo | 2D 3D TSV |
23791076 | 9 | Vialinin A is a ubiquitin-specific peptidase inhibitor. | Bioorg Med Chem Lett 23: 4328-31 (2013) | Tokyo University of Agriculture | 2D 3D TSV |
23790722 | 55 | Anion inhibition studies of the ?-carbonic anhydrase from the protozoan pathogen Trypanosoma cruzi, the causative agent of Chagas disease. | Bioorg Med Chem 21: 4472-6 (2013) | University of Tampere and Tampere University Hospital | 2D 3D TSV |
23790721 | 10 | Synthesis and evaluation of N8-acetylspermidine analogues as inhibitors of bacterial acetylpolyamine amidohydrolase. | Bioorg Med Chem 21: 4530-40 (2013) | University of Pennsylvania | 2D 3D TSV |
23790540 | 17 | Structure-based design of flavone-based inhibitors of wild-type and T315I mutant of ABL. | Bioorg Med Chem Lett 23: 4324-7 (2013) | Korea Advanced Institute of Science and Technology | 2D 3D TSV |
23790539 | 6 | Design, synthesis and biological studies of novel tubulin inhibitors. | Bioorg Med Chem Lett 23: 4465-8 (2013) | The Ohio State University | 2D 3D TSV |
23789857 | 19 | Rational design of sulfonated A3 adenosine receptor-selective nucleosides as pharmacological tools to study chronic neuropathic pain. | J Med Chem 56: 5949-63 (2014) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
23789814 | 22 | Synthesis and biological evaluation of metabolites of 2-n-butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine (ST1535), a potent antagonist of the A2A adenosine receptor for the treatment of Parkinson's disease. | J Med Chem 56: 5456-63 (2013) | Universit£ degli Studi di Urbino | 2D 3D TSV |
23787290 | 20 | Synthesis of substituted diphenyl sulfones and their structure-activity relationship with the antagonism of 5-??6 receptors. | Bioorg Med Chem 21: 4614-27 (2013) | Chemical Diversity Research Institute (CDRI) | 2D 3D TSV |
23787288 | 37 | Determination of the binding mode and interacting amino-acids for dibasic H3 receptor antagonists. | Bioorg Med Chem 21: 4526-9 (2013) | BIOPROJET-BIOTECH | 2D 3D TSV |
23787101 | 33 | Synthesis and evaluation of pharmacological properties of some new xanthone derivatives with piperazine moiety. | Bioorg Med Chem Lett 23: 4419-23 (2013) | Jagiellonian University Medical College | 2D 3D TSV |
23787099 | 20 | Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorg Med Chem Lett 23: 4398-403 (2013) | Frederick National Laboratory for Cancer Research | 2D 3D TSV |
23786711 | 27 | Syntheses and evaluation of novel isoliquiritigenin derivatives as potential dual inhibitors for amyloid-beta aggregation and 5-lipoxygenase. | Eur J Med Chem 66: 22-31 (2013) | Sun Yat-sen University | 2D 3D TSV |
23786452 | 25 | Histone deacetylase inhibitors equipped with estrogen receptor modulation activity. | J Med Chem 56: 5782-96 (2013) | Georgia Institute of Technology | 2D 3D TSV |
23786219 | 20 | A potent small-molecule inhibitor of the MDM2-p53 interaction (MI-888) achieved complete and durable tumor regression in mice. | J Med Chem 56: 5553-61 (2014) | University of Michigan | 2D 3D TSV |
23777898 | 40 | Sulfonamides containing coumarin moieties selectively and potently inhibit carbonic anhydrases II and IX: design, synthesis, inhibitory activity and 3D-QSAR analysis. | Eur J Med Chem 66: 1-11 (2013) | Nanjing University | 2D 3D TSV |
23777828 | 1 | Indole derivatives as dual-effective agents for the treatment of neurodegenerative diseases: synthesis, biological evaluation, and molecular modeling studies. | Bioorg Med Chem 21: 4575-80 (2013) | Universit£ di Messina | 2D 3D TSV |
23777825 | 7 | Design, synthesis and evaluation of novel 2-hydroxypyrrolobenzodiazepine-5,11-dione analogues as potent angiotensin converting enzyme (ACE) inhibitors. | Bioorg Med Chem 21: 4485-93 (2013) | CSIR-Indian Institute of Chemical Technology | 2D 3D TSV |
23777782 | 107 | Orally available and efficaciousa4ß1/a4ß7 integrin inhibitors. | Bioorg Med Chem Lett 23: 4370-3 (2013) | Elan Pharmaceuticals | 2D 3D TSV |
23777780 | 1 | Phosphinic acid-based inhibitors of tubulin polyglutamylases. | Bioorg Med Chem Lett 23: 4408-12 (2013) | University of British Columbia | 2D 3D TSV |
23777778 | 101 | Discovery of novel oxazolidinedione derivatives as potent and selective mineralocorticoid receptor antagonists. | Bioorg Med Chem Lett 23: 4388-92 (2013) | Merck Research Laboratories | 2D 3D TSV |
23777401 | 4 | Aeruginosins from a Microcystis sp. bloom material collected in Varanasi, India. | J Nat Prod 76: 1187-90 (2013) | Tel-Aviv University | 2D 3D TSV |
23775891 | 83 | New insights into the pharmacological chaperone activity of c2-substituted glucoimidazoles for the treatment of Gaucher disease. | Chembiochem 14: 1239-47 (2013) | Nankai University | 2D 3D TSV |
23775075 | 6 | Functional selectivity of 6'-guanidinonaltrindole (6'-GNTI) at kappa-opioid receptors in striatal neurons. | J Biol Chem 288: 22387-98 (2013) | The Scripps Research Institute | 2D 3D TSV |
23773865 | 49 | Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases. | Bioorg Med Chem Lett 23: 4381-7 (2013) | OSI Pharmaceuticals LLC | 2D 3D TSV |
23773397 | 1 | Rationally designed sulfamides as glutamate carboxypeptidase II inhibitors. | Chem Biol Drug Des 82: 612-9 (2013) | Washington State University, Pullman, WA, 99164-4630, USA | 2D 3D TSV |
23773153 | 33 | Targeting gain of function and resistance mutations in Abl and KIT by hybrid compound design. | J Med Chem 56: 5757-72 (2014) | Technical University of Dortmund | 2D 3D TSV |
23772309 | 2 | An Amino-Benzosuberene Analogue That Inhibits Tubulin Assembly and Demonstrates Remarkable Cytotoxicity. | Medchemcomm 3: 720-724 (2012) | Baylor University | 2D 3D TSV |
23770450 | 3 | Synthesis of N-substituted acyclicß-amino acids and their investigation as GABA uptake inhibitors. | Eur J Med Chem 65: 487-99 (2013) | Zentrum f£r Pharmaforschung | 2D 3D TSV |
23770449 | 16 | Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs). | Eur J Med Chem 65: 477-86 (2013) | East China University of Science and Technology | 2D 3D TSV |
23770448 | 19 | Dimeric and trimeric triazole based molecules as a new class of Hsp90 molecular chaperone inhibitors. | Eur J Med Chem 65: 464-76 (2013) | University of Salerno | 2D 3D TSV |
23770058 | 147 | Fused thiazolyl alkynes as potent mGlu5 receptor positive allosteric modulators. | Bioorg Med Chem Lett 23: 4037-43 (2013) | Lundbeck Research USA, Inc. | 2D 3D TSV |
23769654 | 24 | Synthesis of novel celecoxib analogues by bioisosteric replacement of sulfonamide as potent anti-inflammatory agents and cyclooxygenase inhibitors. | Bioorg Med Chem 21: 4581-90 (2013) | Kurukshetra University | 2D 3D TSV |
23769643 | 28 | Synthesis, characterization, and biological assessment of the four stereoisomers of the H(3) receptor antagonist 5-fluoro-2-methyl-N-[2-methyl-4-(2-methyl[1,3']bipyrrolidinyl-1'-yl)phenyl]benzamide. | Bioorg Med Chem Lett 23: 4044-7 (2013) | Sanofi US | 2D 3D TSV |
23769642 | 20 | Design, synthesis and structure-activity relationships of zwitterionic spirocyclic compounds as potent CCR1 antagonists. | Bioorg Med Chem Lett 23: 4026-30 (2013) | AstraZeneca | 2D 3D TSV |
23769640 | 17 | A highly catalytically active¿-carbonic anhydrase from the pathogenic anaerobe Porphyromonas gingivalis and its inhibition profile with anions and small molecules. | Bioorg Med Chem Lett 23: 4067-71 (2013) | Istituto di Biochimica delle Proteine-CNR | 2D 3D TSV |
23769639 | 17 | Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity. | Bioorg Med Chem Lett 23: 4459-64 (2013) | Amgen Inc | 2D 3D TSV |
23769638 | 9 | Cyanidin, a natural flavonoid, is an agonistic ligand for liver X receptor alpha and beta and reduces cellular lipid accumulation in macrophages and hepatocytes. | Bioorg Med Chem Lett 23: 4185-90 (2013) | Korea University | 2D 3D TSV |
23769168 | 57 | Novel triple reuptake inhibitors with low risk of CAD associated liabilities: design, synthesis and biological activities of 4-[(1S)-1-(3,4-dichlorophenyl)-2-methoxyethyl]piperidine and related compounds. | Bioorg Med Chem 21: 4600-13 (2013) | Takeda Pharmaceutical Company Ltd | 2D 3D TSV |
23769167 | 85 | 7-Substituted-sulfocoumarins are isoform-selective, potent carbonic anhydrase II inhibitors. | Bioorg Med Chem 21: 4502-10 (2013) | Universit£ degli Studi di Firenze | 2D 3D TSV |
23768910 | 12 | Benzofused hydroxamic acids: useful fragments for the preparation of histone deacetylase inhibitors. Part 1: hit identification. | Bioorg Med Chem Lett 23: 4091-5 (2013) | Menarini Ricerche | 2D 3D TSV |
23768909 | 50 | Discovery of novel indolinone-based, potent, selective and brain penetrant inhibitors of LRRK2. | Bioorg Med Chem Lett 23: 4085-90 (2013) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
23768907 | 6 | Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERa-selective antagonist. | Bioorg Med Chem Lett 23: 4031-6 (2013) | The University of Tokyo | 2D 3D TSV |
23768906 | 5 | Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: discovery of a quinazolinone chemotype. | Bioorg Med Chem Lett 23: 4132-40 (2013) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
23768905 | 13 | Synthesis and changes in affinity for NOP and opioid receptors of novel hexapeptides containing ?(2)-tryptophan analogues. | Bioorg Med Chem Lett 23: 4052-5 (2013) | Bulgarian Academy of Sciences | 2D 3D TSV |
23768661 | 6 | Design, synthesis and neuroprotective evaluation of novel tacrine-benzothiazole hybrids as multi-targeted compounds against Alzheimer's disease. | Bioorg Med Chem 21: 4559-69 (2013) | Universidade T£cnica de Lisboa | 2D 3D TSV |
23767404 | 97 | Discovery of potent and selective benzothiazole hydrazone inhibitors of Bcl-XL. | J Med Chem 56: 5514-40 (2014) | The Walter and Eliza Hall Institute of Medical Research | 2D 3D TSV |
23758584 | 40 | Design of cell-permeable stapled peptides as HIV-1 integrase inhibitors. | J Med Chem 56: 5601-12 (2013) | Shanghai Institute of Materia Medica | 2D 3D TSV |
23757209 | 10 | Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrinaIIbß3. | Bioorg Med Chem 21: 4646-61 (2013) | A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine | 2D 3D TSV |
23757208 | 29 | Discovery of benzamide analogs as negative allosteric modulators of human neuronal nicotinic receptors: pharmacophore modeling and structure-activity relationship studies. | Bioorg Med Chem 21: 4730-43 (2013) | The Ohio State University | 2D 3D TSV |
23756368 | 49 | Synthesis and structure-activity relationship of 2-arylamino-4-aryl-pyrimidines as potent PAK1 inhibitors. | Bioorg Med Chem Lett 23: 4072-5 (2013) | Astex Pharmaceuticals Inc | 2D 3D TSV |
23756063 | 25 | The discovery of potent selective NPY Y(2) antagonists. | Bioorg Med Chem Lett 23: 4141-4 (2013) | Janssen Research and Development LLC | 2D 3D TSV |
23756062 | 25 | Discovery of TD-8954, a clinical stage 5-HT(4) receptor agonist with gastrointestinal prokinetic properties. | Bioorg Med Chem Lett 23: 4210-5 (2013) | Theravance, Inc. | 2D 3D TSV |
23755884 | 23 | Design, synthesis, and evaluation of novel VEGFR2 kinase inhibitors: discovery of [1,2,4]triazolo[1,5-a]pyridine derivatives with slow dissociation kinetics. | Bioorg Med Chem 21: 4714-29 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23755875 | 4 | Siderocalin outwits the coordination chemistry of vibriobactin, a siderophore of Vibrio cholerae. | ACS Chem Biol 8: 1882-7 (2013) | University of California | 2D 3D TSV |
23755849 | 8 | ?-aminobutyric acid(C) (GABAC) selective antagonists derived from the bioisosteric modification of 4-aminocyclopent-1-enecarboxylic acid: amides and hydroxamates. | J Med Chem 56: 5626-30 (2013) | University of Sydney | 2D 3D TSV |
23751758 | 15 | A small molecule bidentate-binding dual inhibitor probe of the LRRK2 and JNK kinases. | ACS Chem Biol 8: 1747-54 (2013) | The Scripps Research Institute | 2D 3D TSV |
23751098 | 24 | Highly efficient biocompatible neuroprotectants with dual activity as antioxidants and P2Y receptor agonists. | J Med Chem 56: 4938-52 (2013) | Bar-Ilan University | 2D 3D TSV |
23750537 | 3 | Synthesis and mechanism of hypoglycemic activity of benzothiazole derivatives. | J Med Chem 56: 5335-50 (2014) | Bar-Ilan University | 2D 3D TSV |
23750455 | 2 | Design, synthesis, and biological evaluation of (E)-N-aryl-2-arylethenesulfonamide analogues as potent and orally bioavailable microtubule-targeted anticancer agents. | J Med Chem 56: 5562-86 (2013) | Icahn School of Medicine at Mount Sinai | 2D 3D TSV |
23747808 | 51 | Discovery and structure-activity relationships of ent-Kaurene diterpenoids as potent and selective 11ß-HSD1 inhibitors: potential impact in diabetes. | Eur J Med Chem 65: 403-14 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23747805 | 124 | Synthesis, structure-property relationships and pharmacokinetic evaluation of ethyl 6-aminonicotinate sulfonylureas as antagonists of the P2Y12 receptor. | Eur J Med Chem 65: 360-75 (2013) | AstraZeneca | 2D 3D TSV |
23747226 | 4 | Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: observation of extensive dynamics in an enzyme/inhibitor complex. | Bioorg Med Chem Lett 23: 4107-11 (2013) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
23747224 | 7 | Inhibition of Candida albicans isocitrate lyase activity by cadiolides and synoilides from the ascidian Synoicum sp. | Bioorg Med Chem Lett 23: 4099-101 (2013) | Seoul National University | 2D 3D TSV |
23746477 | 7 | New bioactive dihydrofuranocoumarins from the roots of the Tunisian Ferula lutea (Poir.) Maire. | Bioorg Med Chem Lett 23: 4248-52 (2013) | University of Monastir | 2D 3D TSV |
23746476 | 1 | Synthesis and evaluation of a conditionally-silent agonist for thea7 nicotinic acetylcholine receptor. | Bioorg Med Chem Lett 23: 4145-9 (2013) | University of Florida | 2D 3D TSV |
23746475 | 93 | The identification of novel p38? isoform selective kinase inhibitors having an unprecedented p38? binding mode. | Bioorg Med Chem Lett 23: 4120-6 (2013) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
23746474 | 1 | Notable difference in anti-HIV activity of integrase inhibitors as a consequence of geometric and enantiomeric configurations. | Bioorg Med Chem Lett 23: 4112-6 (2013) | University of Georgia | 2D 3D TSV |
23746472 | 34 | Synthesis and acrosin inhibitory activities of 5-phenyl-1H-pyrazole-3-carboxylic acid amide derivatives. | Bioorg Med Chem Lett 23: 4177-84 (2013) | Second Military Medical University | 2D 3D TSV |
23746300 | 12 | Dissecting cytochrome P450 3A4-ligand interactions using ritonavir analogues. | Biochemistry 52: 4474-81 (2013) | University of California Irvine | 2D 3D TSV |
23746084 | 25 | Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant. | J Med Chem 56: 5382-94 (2014) | Universit£ degli Studi di Siena | 2D 3D TSV |
23743287 | 21 | 2-Aminothiazole based P2Y(1) antagonists as novel antiplatelet agents. | Bioorg Med Chem Lett 23: 4206-9 (2013) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23743286 | 2 | De novo tyrosinase inhibitor: 4-(6,7-dihydro-5H-indeno[5,6-d]thiazol-2-yl)benzene-1,3-diol (MHY1556). | Bioorg Med Chem Lett 23: 4172-6 (2013) | Pusan National University | 2D 3D TSV |
23743278 | 58 | Design, synthesis and evaluation of inhibitor of apoptosis protein (IAP) antagonists that are highly selective for the BIR2 domain of XIAP. | Bioorg Med Chem Lett 23: 4253-7 (2013) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
23743277 | 38 | Potent MCH-1 receptor antagonists from cis-1,4-diaminocyclohexane-derived indane analogs. | Bioorg Med Chem Lett 23: 4216-20 (2013) | Hoffmann-La Roche Inc. | 2D 3D TSV |
23742639 | 2 | Dissecting the pharmacophore of curcumin. Which structural element is critical for which action? | J Nat Prod 76: 1105-12 (2013) | Universit£ del Piemonte Orientale | 2D 3D TSV |
23742272 | 9 | PARP inhibitor with selectivity toward ADP-ribosyltransferase ARTD3/PARP3. | ACS Chem Biol 8: 1698-703 (2013) | Ume£ University | 2D 3D TSV |
23742252 | 81 | Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine (LDK378) currently in phase 1 and phase | J Med Chem 56: 5675-90 (2014) | Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
23738526 | 2 | An effective prodrug strategy to selectively enhance ocular exposure of a cannabinoid receptor (CB1/2) agonist. | J Med Chem 56: 5464-72 (2013) | Novartis Institutes for Biomedical Research | 2D 3D TSV |
23737523 | 3 | The chlorite dismutase (HemQ) from Staphylococcus aureus has a redox-sensitive heme and is associated with the small colony variant phenotype. | J Biol Chem 288: 23488-504 (2013) | University of Notre Dame | 2D 3D TSV |
23735830 | 3 | Synthesis and biological evaluation of 4,5-dihydro-1H-pyrazole derivatives as potential nNOS/iNOS selective inhibitors. Part 2: Influence of diverse substituents in both the phenyl moiety and the acyl group. | Bioorg Med Chem 21: 4132-42 (2013) | Universidad de Granada | 2D 3D TSV |
23735828 | 15 | Identification of 1,6-dihydropyrazolo[4,3-c]carbazoles and 3,6-dihydropyrazolo[3,4-c]carbazoles as new Pim kinase inhibitors. | Bioorg Med Chem 21: 4102-11 (2013) | Clermont Universit£ | 2D 3D TSV |
23735744 | 1 | BACE1 inhibitors: a head group scan on a series of amides. | Bioorg Med Chem Lett 23: 4239-43 (2013) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
23735282 | 13 | Evaluation of thiazole containing biaryl analogs as diacylglycerol acyltransferase 1 (DGAT1) inhibitors. | Eur J Med Chem 65: 337-47 (2013) | Piramal Enterprises Limited | 2D 3D TSV |
23735281 | 1 | Stereoselective synthesis and anti-proliferative effects on prostate cancer evaluation of 5-substituted-3,4-diphenylfuran-2-ones. | Eur J Med Chem 65: 323-36 (2013) | Henan University of Traditional Chinese Medicine | 2D 3D TSV |
23735006 | 17 | Constrained H-Phe-Phe-NH2 analogues with high affinity to the substance P 1-7 binding site and with improved metabolic stability and cell permeability. | J Med Chem 56: 4953-65 (2013) | Uppsala University | 2D 3D TSV |
23734673 | 10 | Chemistry, pharmacology, and behavioral studies identify chiral cyclopropanes as selectivea4ß2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile. Part II. | J Med Chem 56: 5495-504 (2014) | University of Illinois at Chicago | 2D 3D TSV |
23734634 | 33 | Thes2 receptor: a novel protein for the imaging and treatment of cancer. | J Med Chem 56: 7137-60 (2013) | Washington University | 2D 3D TSV |
23731946 | 3 | Discovery of new PPAR? agonists based on arylopeptoids. | Bioorg Med Chem Lett 23: 4162-5 (2013) | University of Copenhagen | 2D 3D TSV |
23731360 | 12 | Synthesis of mixed (E,Z)-, (E)-, and (Z)-norendoxifen with dual aromatase inhibitory and estrogen receptor modulatory activities. | J Med Chem 56: 4611-8 (2013) | Purdue University | 2D 3D TSV |
23730937 | 55 | Functionally selective dopamine D2/D3 receptor agonists comprising an enyne moiety. | J Med Chem 56: 5130-41 (2013) | Friedrich-Alexander University | 2D 3D TSV |
23727536 | 4 | The development of a new class of inhibitors for betaine-homocysteine S-methyltransferase. | Eur J Med Chem 65: 256-75 (2013) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
23727194 | 15 | 1-substituted apomorphines as potent dopamine agonists. | Bioorg Med Chem 21: 4143-50 (2013) | University of Tartu | 2D 3D TSV |
23727046 | 84 | N-Acyl-N'-arylpiperazines as negative allosteric modulators of mGlu1: identification of VU0469650, a potent and selective tool compound with CNS exposure in rats. | Bioorg Med Chem Lett 23: 3713-8 (2013) | Vanderbilt University Medical Center | 2D 3D TSV |
23727045 | 1 | Macrocyclic inhibitors of 3C and 3C-like proteases of picornavirus, norovirus, and coronavirus. | Bioorg Med Chem Lett 23: 3709-12 (2013) | Wichita State University | 2D 3D TSV |
23727044 | 6 | Discovery of non-LBD inhibitor for androgen receptor by structure-guide design. | Bioorg Med Chem Lett 23: 3887-90 (2013) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
23726345 | 41 | Design, synthesis and biological evaluation of novel aminothiazoles as antiviral compounds acting against human rhinovirus. | Bioorg Med Chem Lett 23: 3841-7 (2013) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
23726344 | 14 | Heterocyclic modification of a novel bicyclo[3.1.0]hexane NPY1 receptor antagonist. | Bioorg Med Chem Lett 23: 3814-7 (2013) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
23726034 | 117 | Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation. | Bioorg Med Chem Lett 23: 3741-8 (2013) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
23726031 | 2 | Rhodanine-based PRL-3 inhibitors blocked the migration and invasion of metastatic cancer cells. | Bioorg Med Chem Lett 23: 3769-74 (2013) | University of Science and Technology | 2D 3D TSV |
23726030 | 3 | Affinity-based screening of MDM2/MDMX-p53 interaction inhibitors by chemical array: identification of novel peptidic inhibitors. | Bioorg Med Chem Lett 23: 3802-5 (2013) | Kyoto University | 2D 3D TSV |
23726028 | 20 | Synthesis and biological evaluation of sorafenib- and regorafenib-like sEH inhibitors. | Bioorg Med Chem Lett 23: 3732-7 (2013) | University of California | 2D 3D TSV |
23726026 | 12 | Activity-lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments. | Bioorg Med Chem Lett 23: 3728-31 (2013) | Universit£ degli Studi di Bari A. Moro | 2D 3D TSV |
23725591 | 31 | Characterization of maleimide-based glycogen synthase kinase-3 (GSK-3) inhibitors as stimulators of steroidogenesis. | J Med Chem 56: 5115-29 (2013) | University of Illinois at Chicago | 2D 3D TSV |
23725560 | 22 | Quantitative analysis of histone demethylase probes using fluorescence polarization. | J Med Chem 56: 5198-202 (2013) | University of Colorado | 2D 3D TSV |
23721952 | 34 | An atom economic synthesis and AChE inhibitory activity of novel dispiro 7-aryltetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole and 4-aryloctahydroindolizine N-methylpiperidin-4-one hybrid heterocycles. | Eur J Med Chem 65: 240-8 (2013) | Madurai Kamaraj University | 2D 3D TSV |
23721919 | 2 | The synthesis of neurotensin antagonist SR 48692 for prostate cancer research. | Bioorg Med Chem 21: 4378-87 (2013) | Durham University | 2D 3D TSV |
23721804 | 33 | Opioid receptor selectivity profile change via isosterism for 14-O-substituted naltrexone derivatives. | Bioorg Med Chem Lett 23: 3719-22 (2013) | Virginia Commonwealth University | 2D 3D TSV |
23721803 | 6 | The development of CNS-active LRRK2 inhibitors using property-directed optimisation. | Bioorg Med Chem Lett 23: 3690-6 (2013) | The University of Sydney | 2D 3D TSV |
23721423 | 144 | Identification of 2-(2-(1-naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic acid (setipiprant/ACT-129968), a potent, selective, and orally bioavailable chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2) antagonist. | J Med Chem 56: 4899-911 (2013) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
23719508 | 26 | Discovery of two classes of potent glycomimetic inhibitors of Pseudomonas aeruginosa LecB with distinct binding modes. | ACS Chem Biol 8: 1775-84 (2013) | University of Konstanz | 2D 3D TSV |
23719288 | 41 | Discovery of novel series of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones as human chymase inhibitors using structure-based drug design. | Bioorg Med Chem 21: 4233-49 (2013) | Asubio Pharma Co., Ltd | 2D 3D TSV |
23719283 | 32 | Synthesis, biological evaluation and molecular modeling of substituted 2-aminobenzimidazoles as novel inhibitors of acetylcholinesterase and butyrylcholinesterase. | Bioorg Med Chem 21: 4218-24 (2013) | Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) | 2D 3D TSV |
23719282 | 9 | Synthesis and biological evaluation of a targeted DNA-binding transcriptional activator with HDAC8 inhibitory activity. | Bioorg Med Chem 21: 4201-9 (2013) | Kyoto University | 2D 3D TSV |
23719231 | 46 | Structure-activity relationship studies and sleep-promoting activity of novel 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine derivatives as dual orexin receptor antagonists. Part 2. | Bioorg Med Chem Lett 23: 3857-63 (2013) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
23718637 | 1 | Metabolites from Microcystis aeruginosa bloom material collected at a water reservoir near Kibbutz Hafetz Haim, Israel. | J Nat Prod 76: 1196-200 (2013) | Tel-Aviv University | 2D 3D TSV |
23718562 | 3 | Synthesis and pharmacological profiling of analogues of benzyl quinolone carboxylic acid (BQCA) as allosteric modulators of the M1 muscarinic receptor. | J Med Chem 56: 5151-72 (2013) | Monash University | 2D 3D TSV |
23718540 | 4 | Designing allosteric regulators of thrombin. Exosite 2 features multiple subsites that can be targeted by sulfated small molecules for inducing inhibition. | J Med Chem 56: 5059-70 (2013) | Virginia Commonwealth University | 2D 3D TSV |
23718281 | 7 | Discovery of (R)-(2-fluoro-4-((-4-methoxyphenyl)ethynyl)phenyl) (3-hydroxypiperidin-1-yl)methanone (ML337), an mGlu3 selective and CNS penetrant negative allosteric modulator (NAM). | J Med Chem 56: 5208-12 (2013) | Vanderbilt University Medical Center | 2D 3D TSV |
23713606 | 116 | 8-Benzamidochromen-4-one-2-carboxylic acids: potent and selective agonists for the orphan G protein-coupled receptor GPR35. | J Med Chem 56: 5182-97 (2013) | University of Bonn | 2D 3D TSV |
23713581 | 75 | A potent and selective small-molecule inhibitor for the lymphoid-specific tyrosine phosphatase (LYP), a target associated with autoimmune diseases. | J Med Chem 56: 4990-5008 (2013) | Indiana University School of Medicine | 2D 3D TSV |
23713567 | 13 | Systematic structure modifications of multitarget prostate cancer drug candidate galeterone to produce novel androgen receptor down-regulating agents as an approach to treatment of advanced prostate cancer. | J Med Chem 56: 4880-98 (2013) | University of Maryland | 2D 3D TSV |
23712084 | 2 | Development and characterization of a promising fluorine-18 labelled radiopharmaceutical for in vivo imaging of fatty acid amide hydrolase. | Bioorg Med Chem 21: 4351-7 (2013) | Centre for Addiction and Mental Health | 2D 3D TSV |
23711922 | 19 | The synergic modeling for the binding of fluoroquinolone antibiotics to the hERG potassium channel. | Bioorg Med Chem Lett 23: 3848-51 (2013) | Takeda Pharmaceutical Company Limited | 2D 3D TSV |
23711919 | 62 | Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 3. | Bioorg Med Chem Lett 23: 3798-801 (2013) | Kitasato University | 2D 3D TSV |
23711770 | 4 | Synthesis and pharmacological properties of a new hydrophilic and orally bioavailable 5-HT4 antagonist. | Eur J Med Chem 64: 629-37 (2013) | Drug Discovery Laboratory AS | 2D 3D TSV |
23710622 | 15 | Interfacial cavity filling to optimize CD4-mimetic miniprotein interactions with HIV-1 surface glycoprotein. | J Med Chem 56: 5033-47 (2013) | iBiTecS, CEA | 2D 3D TSV |
23710549 | 18 | Re-evolution of the 2-phenylquinolines: ligand-based design, synthesis, and biological evaluation of a potent new class of Staphylococcus aureus NorA efflux pump inhibitors to combat antimicrobial resistance. | J Med Chem 56: 4975-89 (2013) | Universit£ degli Studi di Perugia | 2D 3D TSV |
23707920 | 3 | A thienopyrimidine derivative induces growth inhibition and apoptosis in human cancer cell lines via inhibiting Aurora B kinase activity. | Eur J Med Chem 65: 151-7 (2013) | Fudan University | 2D 3D TSV |
23707919 | 7 | Expanding chemical diversity of conotoxins: peptoid-peptide chimeras of the sodium channel blocker ?-KIIIA and its selenopeptide analogues. | Eur J Med Chem 65: 144-50 (2013) | University of Gdansk | 2D 3D TSV |
23707918 | 18 | Molecular design, synthesis and biological evaluation of BP-O-DAPY and O-DAPY derivatives as non-nucleoside HIV-1 reverse transcriptase inhibitors. | Eur J Med Chem 65: 134-43 (2013) | Fudan University | 2D 3D TSV |
23707260 | 4 | Discovery of a small molecular compound simultaneously targeting RXR and HADC: design, synthesis, molecular docking and bioassay. | Bioorg Med Chem Lett 23: 3891-5 (2013) | Shenyang Pharmaceutical University | 2D 3D TSV |
23707259 | 98 | The discovery of BMS-457, a potent and selective CCR1 antagonist. | Bioorg Med Chem Lett 23: 3833-40 (2013) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23707258 | 36 | Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents. | Bioorg Med Chem Lett 23: 3826-32 (2013) | College of Pharmacy | 2D 3D TSV |
23707256 | 62 | Membrane anchoring¿-secretase modulators with terpene-derived moieties. | Bioorg Med Chem Lett 23: 3852-6 (2013) | Technische Universit£t Darmstadt | 2D 3D TSV |
23707254 | 7 | Selectivity of phenothiazine cholinesterase inhibitors for neurotransmitter systems. | Bioorg Med Chem Lett 23: 3822-5 (2013) | Dalhousie University | 2D 3D TSV |
23706268 | 4 | Hypoxia induced CA9 inhibitory targeting by two different sulfonamide derivatives including acetazolamide in human glioblastoma. | Bioorg Med Chem 21: 3949-57 (2013) | University of W£rzburg | 2D 3D TSV |
23706267 | 32 | 1,4-Diaryl-substituted triazoles as cyclooxygenase-2 inhibitors: Synthesis, biological evaluation and molecular modeling studies. | Bioorg Med Chem 21: 4288-95 (2013) | University of Alberta | 2D 3D TSV |
23702473 | 10 | Indazoles as potential c-Met inhibitors: design, synthesis and molecular docking studies. | Eur J Med Chem 65: 112-8 (2013) | Guangdong Pharmaceutical University | 2D 3D TSV |
23701517 | 12 | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors. | J Med Chem 56: 4320-42 (2013) | Amgen Inc | 2D 3D TSV |
23697754 | 20 | Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus FabI Enzyme-Product Complex. | Biochemistry 52: 4217-28 (2013) | Stony Brook University | 2D 3D TSV |
23697626 | 167 | Discovery of 7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamides as potent and selective CB(2) cannabinoid receptor inverse agonists. | J Med Chem 56: 4482-96 (2013) | Universit£ di Ferrara | 2D 3D TSV |
23693150 | 4 | Synthesis of some novel chalcones, flavanones and flavones and evaluation of their anti-inflammatory activity. | Eur J Med Chem 65: 51-9 (2013) | Jamia Hamdard (Hamdard University) | 2D 3D TSV |
23692872 | 98 | Novel nicotinic acetylcholine receptor agonists containing carbonyl moiety as a hydrogen bond acceptor. | Bioorg Med Chem Lett 23: 3927-34 (2013) | Targacept Inc | 2D 3D TSV |
23692871 | 7 | In vitro and in vivo evaluation of polymethylene tetraamine derivatives as NMDA receptor channel blockers. | Bioorg Med Chem Lett 23: 3901-4 (2013) | Chiba University | 2D 3D TSV |
23692593 | 20 | Structural optimization, biological evaluation, and application of peptidomimetic prostate specific antigen inhibitors. | J Med Chem 56: 4224-35 (2013) | The Johns Hopkins University | 2D 3D TSV |
23688699 | 3 | Evaluation of adenine as scaffold for the development of novel P2X3 receptor antagonists. | Eur J Med Chem 65: 41-50 (2013) | University of Camerino | 2D 3D TSV |
23688698 | 68 | Synthesis and pharmacological evaluation of 2-aryloxy/arylamino-5-cyanobenzenesulfonylureas as novel thromboxane A2 receptor antagonists. | Eur J Med Chem 65: 32-40 (2013) | University of Liege | 2D 3D TSV |
23688695 | 1 | Synthesis of pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors of thymidine phosphorylase. | Eur J Med Chem 65: 1-11 (2013) | National University of Singapore | 2D 3D TSV |
23688559 | 30 | Development of time resolved fluorescence resonance energy transfer-based assay for FXR antagonist discovery. | Bioorg Med Chem 21: 4266-78 (2013) | City of Hope National Medical Center | 2D 3D TSV |
23688558 | 37 | Antagonism of L-type Ca2+ channels CaV1.3 and CaV1.2 by 1,4-dihydropyrimidines and 4H-pyrans as dihydropyridine mimics. | Bioorg Med Chem 21: 4365-73 (2013) | Northwestern University | 2D 3D TSV |
23688339 | 52 | Screening and X-ray crystal structure-based optimization of autotaxin (ENPP2) inhibitors, using a newly developed fluorescence probe. | ACS Chem Biol 8: 1713-21 (2013) | The University of Tokyo | 2D 3D TSV |
23688254 | 31 | Design, synthesis, and initial evaluation of a high affinity positron emission tomography probe for imaging matrix metalloproteinases 2 and 9. | J Med Chem 56: 4912-20 (2013) | ETH Zurich | 2D 3D TSV |
23687559 | 9 | The 2'-Trifluoromethyl Analogue of Indomethacin Is a Potent and Selective COX-2 Inhibitor. | ACS Med Chem Lett 4: 486-490 (2013) | Vanderbilt University | 2D 3D TSV |
23687558 | 55 | Discovery of TUG-770: A Highly Potent Free Fatty Acid Receptor 1 (FFA1/GPR40) Agonist for Treatment of Type 2 Diabetes. | ACS Med Chem Lett 4: 441-445 (2013) | University of Southern Denmark | 2D 3D TSV |
23685943 | 123 | 2-(3-Fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists: structure activity relationships of the 2-oxy pyridine C-region. | Eur J Med Chem 64: 589-602 (2013) | Seoul National University | 2D 3D TSV |
23685941 | 53 | Influence of 4- or 5-substituents on the pyrrolidine ring of 5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin derivatives on their inhibitory activities towards caspases-3 and -7. | Eur J Med Chem 64: 562-78 (2013) | Westf£lische Wilhelms-Universit£t M£nster | 2D 3D TSV |
23685887 | 80 | New insight into adenosine receptors selectivity derived from a novel series of [5-substituted-4-phenyl-1,3-thiazol-2-yl] benzamides and furamides. | Eur J Med Chem 63: 924-34 (2013) | B.V. Patel Pharmaceutical Education and Research Development | 2D 3D TSV |
23685886 | 2 | Further studies on bis-charged tetraazacyclophanes as potent inhibitors of small conductance Ca(2+)-activated K+ channels. | Eur J Med Chem 63: 907-23 (2013) | University College London | 2D 3D TSV |
23685572 | 55 | Design, synthesis and evaluation of novel tacrine-coumarin hybrids as multifunctional cholinesterase inhibitors against Alzheimer's disease. | Eur J Med Chem 64: 540-53 (2013) | China Pharmaceutical University | 2D 3D TSV |
23685570 | 49 | Further studies on 2-arylacetamide pyridazin-3(2H)-ones: design, synthesis and evaluation of 4,6-disubstituted analogs as formyl peptide receptors (FPRs) agonists. | Eur J Med Chem 64: 512-28 (2013) | Universit£ degli Studi di Firenze | 2D 3D TSV |
23685180 | 1 | Design, synthesis and evaluation of retinoids with novel bulky hydrophobic partial structures. | Bioorg Med Chem 21: 4342-50 (2013) | Research Foundation Itsuu Laboratory | 2D 3D TSV |
23685178 | 6 | Australian marine sponge alkaloids as a new class of glycine-gated chloride channel receptor modulator. | Bioorg Med Chem 21: 4420-5 (2013) | The University of Queensland | 2D 3D TSV |
23685177 | 4 | Potent suppression of c-di-GMP synthesis via I-site allosteric inhibition of diguanylate cyclases with 2'-F-c-di-GMP. | Bioorg Med Chem 21: 4396-404 (2013) | University of Maryland | 2D 3D TSV |
23685174 | 6 | Natural product hybrid and its superacid synthesized analogues: dodoneine and its derivatives show selective inhibition of carbonic anhydrase isoforms I, III, XIII and XIV. | Bioorg Med Chem 21: 3790-4 (2013) | Superacid Group in Organic Synthesis Team-Universit£ de Poitiers | 2D 3D TSV |
23684894 | 12 | Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides. | Bioorg Med Chem Lett 23: 3818-21 (2013) | University of California | 2D 3D TSV |
23684893 | 8 | Spongiacidin C, a pyrrole alkaloid from the marine sponge Stylissa massa, functions as a USP7 inhibitor. | Bioorg Med Chem Lett 23: 3884-6 (2013) | Kumamoto University | 2D 3D TSV |
23684233 | 10 | Asymmetric synthesis of the four diastereoisomers of a novel non-steroidal farnesoid X receptor (FXR) agonist: role of the chirality on the biological activity. | Bioorg Med Chem 21: 3780-9 (2013) | Universit£ di Perugia | 2D 3D TSV |
23683835 | 21 | Synthesis of organic nitrates of luteolin as a novel class of potent aldose reductase inhibitors. | Bioorg Med Chem 21: 4301-10 (2013) | Xiangtan University | 2D 3D TSV |
23683834 | 3 | 20(S)-Protopanaxadiol (PPD) analogues chemosensitize multidrug-resistant cancer cells to clinical anticancer drugs. | Bioorg Med Chem 21: 4279-87 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23683593 | 231 | Synthesis and SAR of potent and selective tetrahydropyrazinoisoquinolinone 5-HT(2C) receptor agonists. | Bioorg Med Chem Lett 23: 3914-9 (2013) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
23683591 | 23 | Synthesis and evaluation of 8-amino-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one derivatives as glycogen synthase kinase-3 (GSK-3) inhibitors. | Bioorg Med Chem Lett 23: 3983-7 (2013) | Jeil Pharmaceutical Co., Ltd. | 2D 3D TSV |
23683589 | 21 | Synthesis of kojic acid derivatives as secondary binding site probes of D-amino acid oxidase. | Bioorg Med Chem Lett 23: 3910-3 (2013) | Johns Hopkins University | 2D 3D TSV |
23683440 | 40 | Selective Small Molecule Probes for the Hypoxia Inducible Factor (HIF) Prolyl Hydroxylases. | ACS Chem Biol 8: 1488-96 (2013) | University of Oxford | 2D 3D TSV |
23682308 | 16 | A Bivalent Ligand Targeting the Putative Mu Opioid Receptor and Chemokine Receptor CCR5 Heterodimers: Binding Affinity versus Functional Activities. | Medchemcomm 4: 847-851 (2013) | Virginia Commonwealth University | 2D 3D TSV |
23680866 | 33 | Synthesis and receptor binding studies of novel 4,4-disubstituted arylalkyl/arylalkylsulfonyl piperazine and piperidine-based derivatives as a new class ofs1 ligands. | Eur J Med Chem 64: 488-97 (2013) | NSTRI | 2D 3D TSV |
23680444 | 36 | A class of pyrrole derivatives endowed with analgesic/anti-inflammatory activity. | Bioorg Med Chem 21: 3695-701 (2013) | Universit£ Sapienza | 2D 3D TSV |
23679955 | 100 | Antagonists for the orphan G-protein-coupled receptor GPR55 based on a coumarin scaffold. | J Med Chem 56: 4798-810 (2013) | University of Bonn | 2D 3D TSV |
23679915 | 11 | Medicinal chemistry of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors. | J Med Chem 56: 6279-96 (2013) | Universit£ degli Studi del Piemonte Orientale"A. Avogadro" | 2D 3D TSV |
23679862 | 14 | X-ray crystal structures of the Escherichia coli RNA polymerase in complex with benzoxazinorifamycins. | J Med Chem 56: 4758-63 (2013) | The Pennsylvania State University | 2D 3D TSV |
23678871 | 59 | Discovery of a highly potent, nonabsorbable apical sodium-dependent bile acid transporter inhibitor (GSK2330672) for treatment of type 2 diabetes. | J Med Chem 56: 5094-114 (2013) | GlaxoSmithKline | 2D 3D TSV |
23676086 | 9 | Identification of M. tuberculosis thioredoxin reductase inhibitors based on high-throughput docking using constraints. | J Med Chem 56: 4849-59 (2013) | MSD Animal Health Innovation GmbH | 2D 3D TSV |
23675993 | 13 | Synthesis and biological investigation of coumarin piperazine (piperidine) derivatives as potential multireceptor atypical antipsychotics. | J Med Chem 56: 4671-90 (2013) | Huazhong University of Science and Technology | 2D 3D TSV |
23675965 | 64 | Synthesis and pharmacological characterization of 4-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates: identification of new potent and selective metabotropic glutamate 2/3 receptor agonists. | J Med Chem 56: 4442-55 (2013) | Eli Lilly and Company | 2D 3D TSV |
23673220 | 10 | Synthesis and biological evaluation of 18F-labled 2-phenylindole derivatives as PET imaging probes for ?-amyloid plaques. | Bioorg Med Chem 21: 3708-14 (2013) | Beijing Normal University | 2D 3D TSV |
23673215 | 19 | Synthesis, biological evaluation, and molecular docking studies of novel 1,3,4-oxadiazole derivatives possessing benzotriazole moiety as FAK inhibitors with anticancer activity. | Bioorg Med Chem 21: 3723-9 (2013) | Nanjing University | 2D 3D TSV |
23673016 | 44 | Identification of potent and orally bioavailable nucleotide competing reverse transcriptase inhibitors: in vitro and in vivo optimization of a series of benzofurano[3,2-d]pyrimidin-2-one derived inhibitors. | Bioorg Med Chem Lett 23: 3967-75 (2013) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
23672690 | 4 | Contributions of academic laboratories to the discovery and development of chemical biology tools. | J Med Chem 56: 7161-76 (2013) | University of Pittsburgh | 2D 3D TSV |
23672667 | 2 | Discovery of a potent boronic acid derived inhibitor of the HCV RNA-dependent RNA polymerase. | J Med Chem 57: 1902-13 (2014) | GlaxoSmithKline | 2D 3D TSV |
23672640 | 1 | Discovery of danoprevir (ITMN-191/R7227), a highly selective and potent inhibitor of hepatitis C virus (HCV) NS3/4A protease. | J Med Chem 57: 1753-69 (2014) | Array BioPharma | 2D 3D TSV |
23672613 | 8 | Fragment-based ligand design of novel potent inhibitors of tankyrases. | J Med Chem 56: 4497-508 (2013) | Nanyang Technological University | 2D 3D TSV |
23672185 | 3 | Discovery of the first histone deacetylase 6/8 dual inhibitors. | J Med Chem 56: 4816-20 (2013) | Broad Institute of MIT and Harvard | 2D 3D TSV |
23668989 | 28 | New azole antagonists with high affinity for the P2Y(1) receptor. | Bioorg Med Chem Lett 23: 3519-22 (2013) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23668988 | 81 | Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties. | Bioorg Med Chem Lett 23: 3531-8 (2013) | Genentech | 2D 3D TSV |
23668484 | 15 | Lead optimization of a 4-aminopyridine benzamide scaffold to identify potent, selective, and orally bioavailable TYK2 inhibitors. | J Med Chem 56: 4521-36 (2013) | Genentech | 2D 3D TSV |
23668441 | 39 | Novel hybrids of (phenylsulfonyl)furoxan and anilinopyrimidine as potent and selective epidermal growth factor receptor inhibitors for intervention of non-small-cell lung cancer. | J Med Chem 56: 4738-48 (2013) | China Pharmaceutical University | 2D 3D TSV |
23668417 | 34 | Bispyrimidines as potent histamine H(4) receptor ligands: delineation of structure-activity relationships and detailed H(4) receptor binding mode. | J Med Chem 56: 4264-76 (2013) | Boehringer Ingelheim RCV GmbH & Co KG | 2D 3D TSV |
23668331 | 120 | Optimization of benzoxazole-based inhibitors of Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase. | J Med Chem 56: 4028-43 (2013) | Brandeis University | 2D 3D TSV |
23665143 | 8 | Manzamine A, a marine-derived alkaloid, inhibits accumulation of cholesterol ester in macrophages and suppresses hyperlipidemia and atherosclerosis in vivo. | Bioorg Med Chem 21: 3831-8 (2013) | Kumamoto University | 2D 3D TSV |
23665106 | 5 | Synthesis and antiproliferative activity of 4-substituted-piperazine-1-carbodithioate derivatives of 2,4-diaminoquinazoline. | Eur J Med Chem 64: 401-9 (2013) | Capital Normal University | 2D 3D TSV |
23664880 | 47 | Development of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties. | Bioorg Med Chem Lett 23: 3565-9 (2013) | Roche Palo Alto | 2D 3D TSV |
23664879 | 73 | Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase. | Bioorg Med Chem Lett 23: 3584-8 (2013) | GlaxoSmithKline | 2D 3D TSV |
23664876 | 1 | Solid phase synthesis and biological evaluation of probestin as an angiogenesis inhibitor. | Bioorg Med Chem Lett 23: 3561-4 (2013) | The University of Oklahoma Health Sciences Center | 2D 3D TSV |
23664874 | 16 | Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1). | Bioorg Med Chem Lett 23: 3662-6 (2013) | Takeda California Inc | 2D 3D TSV |
23664871 | 5 | Development of a triclosan scaffold which allows for adaptations on both the A- and B-ring for transport peptides. | Bioorg Med Chem Lett 23: 3551-5 (2013) | University of Leeds | 2D 3D TSV |
23664215 | 45 | Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening. | Bioorg Med Chem Lett 23: 3496-9 (2013) | East China University of Science and Technology | 2D 3D TSV |
23664211 | 49 | Caffeic acid derivatives: a new type of influenza neuraminidase inhibitors. | Bioorg Med Chem Lett 23: 3556-60 (2013) | Shandong University | 2D 3D TSV |
23664164 | 40 | Novel 1H-imidazol-2-amine derivatives as potent and orally active vascular adhesion protein-1 (VAP-1) inhibitors for diabetic macular edema treatment. | Bioorg Med Chem 21: 3873-81 (2013) | Astellas Pharma Inc | 2D 3D TSV |
23664099 | 32 | Design, synthesis, quantum chemical studies and biological activity evaluation of pyrazole-benzimidazole derivatives as potent Aurora A/B kinase inhibitors. | Bioorg Med Chem Lett 23: 3523-30 (2013) | Xuzhou Medical College | 2D 3D TSV |
23663316 | 39 | In vitro study of isoflavones and isoflavans as potent inhibitors of human 12- and 15-lipoxygenases. | Chem Biol Drug Des 82: 317-25 (2013) | Universidad de Santiago de Chile | 2D 3D TSV |
23663081 | 49 | Design, synthesis and biological evaluation of novel inosine 5'-monophosphate dehydrogenase (IMPDH) inhibitors. | J Enzyme Inhib Med Chem 29: 408-19 (2014) | Nycomed | 2D 3D TSV |
23662903 | 34 | Discovery of 2-{3-[2-(1-isopropyl-3-methyl-1H-1,2-4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl]-1H-pyrazol-1-yl}-2-methylpropanamide (GDC-0032): aß-sparing phosphoinositide 3-kinase inhibitor with high unbound exposure and robust in vivo antitumor activity. | J Med Chem 56: 4597-610 (2013) | Genentech | 2D 3D TSV |
23662817 | 1 | Development of oleanane-type triterpenes as a new class of HCV entry inhibitors. | J Med Chem 56: 4300-19 (2013) | Peking University | 2D 3D TSV |
23661699 | 15 | Structural and biochemical characterization of compounds inhibiting Mycobacterium tuberculosis pantothenate kinase. | J Biol Chem 288: 18260-70 (2013) | Uppsala University | 2D 3D TSV |
23660015 | 5 | Functional consequences of retro-inverso isomerization of a miniature protein inhibitor of the p53-MDM2 interaction. | Bioorg Med Chem 21: 4045-50 (2013) | Southwest University | 2D 3D TSV |
23659858 | 17 | Evaluation of selective inhibitors of 11ß-HSD1 for the treatment of hypertension. | Bioorg Med Chem Lett 23: 3650-3 (2013) | Merck & Co. | 2D 3D TSV |
23659855 | 36 | Design, synthesis and structure activity relationships of spirocyclic compounds as potent CCR1 antagonists. | Bioorg Med Chem Lett 23: 3500-4 (2013) | AstraZeneca | 2D 3D TSV |
23659711 | 12 | Study of binding thermodynamics in the optimization of BH3 mimetics. | Chem Biol Drug Des 82: 394-400 (2013) | Dalian University of Technology | 2D 3D TSV |
23659286 | 4 | Neocosmospora sp.-derived resorcylic acid lactones with in vitro binding affinity for human opioid and cannabinoid receptors. | J Nat Prod 76: 824-8 (2013) | The University of Mississippi | 2D 3D TSV |
23659282 | 1 | Spirohexenolide A targets human macrophage migration inhibitory factor (hMIF). | J Nat Prod 76: 817-23 (2013) | University of California-San Diego | 2D 3D TSV |
23659214 | 138 | Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2. | J Med Chem 56: 4764-85 (2013) | Genentech | 2D 3D TSV |
23659209 | 30 | Discovery of potent, selective chymase inhibitors via fragment linking strategies. | J Med Chem 56: 4465-81 (2013) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
23659183 | 7 | Bifunctional inhibition of human immunodeficiency virus type 1 reverse transcriptase: mechanism and proof-of-concept as a novel therapeutic design strategy. | J Med Chem 56: 3959-68 (2013) | Yale University | 2D 3D TSV |
23656512 | 30 | 1-Phenyl-4-benzoyl-1H-1,2,3-triazoles as orally bioavailable transcriptional function suppressors of estrogen-related receptora. | J Med Chem 56: 4631-40 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23656488 | 18 | Synthesis, 18F-radiolabeling, and in vivo biodistribution studies of N-fluorohydroxybutyl isatin sulfonamides using positron emission tomography. | J Med Chem 56: 4509-20 (2013) | Westf£lische Wilhelms-Universit£t M£nster | 2D 3D TSV |
23656455 | 3 | Binding mechanism of the farnesoid X receptor marine antagonist suvanine reveals a strategy to forestall drug modulation on nuclear receptors. Design, synthesis, and biological evaluation of novel ligands. | J Med Chem 56: 4701-17 (2013) | Istituto Italiano di Tecnologia | 2D 3D TSV |
23656407 | 4 | X-ray crystal structure of ERK5 (MAPK7) in complex with a specific inhibitor. | J Med Chem 56: 4413-21 (2013) | University of Oxford | 2D 3D TSV |
23656360 | 23 | Optimized method of G-protein-coupled receptor homology modeling: its application to the discovery of novel CXCR7 ligands. | J Med Chem 56: 4236-51 (2013) | PharmaDesign Inc | 2D 3D TSV |
23656296 | 51 | Optimized chemical probes for REV-ERBa. | J Med Chem 56: 4729-37 (2013) | GlaxoSmithKline | 2D 3D TSV |
23652221 | 23 | A novel benzazepinone sodium channel blocker with oral efficacy in a rat model of neuropathic pain. | Bioorg Med Chem Lett 23: 3640-5 (2013) | Merck Research Laboratories | 2D 3D TSV |
23651509 | 13 | Synthesis and biological evaluation of C-glucosides with azulene rings as selective SGLT2 inhibitors for the treatment of type 2 diabetes mellitus: discovery of YM543. | Bioorg Med Chem 21: 3934-48 (2013) | Astellas Pharmaceutical Inc. | 2D 3D TSV |
23651455 | 1 | Design and selection parameters to accelerate the discovery of novel central nervous system positron emission tomography (PET) ligands and their application in the development of a novel phosphodiesterase 2A PET ligand. | J Med Chem 56: 4568-79 (2013) | Pfizer Inc | 2D 3D TSV |
23651412 | 90 | Structure-activity relationship of N,N'-disubstituted pyrimidinetriones as Ca(V)1.3 calcium channel-selective antagonists for Parkinson's disease. | J Med Chem 56: 4786-97 (2013) | Northwestern University | 2D 3D TSV |
23651359 | 56 | Synthesis, pharmacological characterization, and docking analysis of a novel family of diarylisoxazoles as highly selective cyclooxygenase-1 (COX-1) inhibitors. | J Med Chem 56: 4277-99 (2013) | Universit£ degli Studi di Bari A. Moro | 2D 3D TSV |
23651330 | 1 | Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design. | J Med Chem 56: 4402-12 (2013) | The Ohio State University | 2D 3D TSV |
23651223 | 61 | A potent bivalent Smac mimetic (SM-1200) achieving rapid, complete, and durable tumor regression in mice. | J Med Chem 56: 3969-79 (2013) | University of Michigan | 2D 3D TSV |
23648182 | 6 | The use of virtual screening and differential scanning fluorimetry for the rapid identification of fragments active against MEK1. | Bioorg Med Chem Lett 23: 3620-6 (2013) | Sanofi | 2D 3D TSV |
23648181 | 31 | Discovery and optimization of arylsulfonyl 3-(pyridin-2-yloxy)anilines as novel GPR119 agonists. | Bioorg Med Chem Lett 23: 3609-13 (2013) | Amgen Inc | 2D 3D TSV |
23647823 | 27 | Dieckol, a SARS-CoV 3CL(pro) inhibitor, isolated from the edible brown algae Ecklonia cava. | Bioorg Med Chem 21: 3730-7 (2013) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
23647822 | 3 | Small molecules inhibit the interaction of Nrf2 and the Keap1 Kelch domain through a non-covalent mechanism. | Bioorg Med Chem 21: 4011-9 (2013) | Biogen Idec Inc. | 2D 3D TSV |
23647428 | 84 | Xanthates and trithiocarbonates strongly inhibit carbonic anhydrases and show antiglaucoma effects in vivo. | J Med Chem 56: 4691-700 (2013) | Universit£ degli Studi di Firenze | 2D 3D TSV |
23647266 | 35 | Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control. | J Med Chem 56: 3922-35 (2013) | Max Institute of Psychiatry | 2D 3D TSV |
23644213 | 57 | Low molecular weight dual inhibitors of factor Xa and fibrinogen binding to GPIIb/IIIa with highly overlapped pharmacophores. | Eur J Med Chem 64: 302-13 (2013) | University of Ljubljana | 2D 3D TSV |
23644210 | 5 | Synthesis and biological characterization of spiro[2H-(1,3)-benzoxazine-2,4'-piperidine] based histone deacetylase inhibitors. | Eur J Med Chem 64: 273-84 (2013) | Congenia s.r.l. | 2D 3D TSV |
23644208 | 40 | Synthesis and evaluation of 4-substituted coumarins as novel acetylcholinesterase inhibitors. | Eur J Med Chem 64: 252-9 (2013) | University of Zanjan | 2D 3D TSV |
23644197 | 51 | Synthesis and biological evaluation of novel phosphatidylinositol 3-kinase inhibitors: Solubilized 4-substituted benzimidazole analogs of 2-(difluoromethyl)-1-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazole (ZSTK474). | Eur J Med Chem 64: 137-47 (2013) | University of Auckland | 2D 3D TSV |
23644196 | 3 | Discovery of novel bromophenol 3,4-dibromo-5-(2-bromo-3,4-dihydroxy-6-(isobutoxymethyl)benzyl)benzene-1,2-diol as protein tyrosine phosphatase 1B inhibitor and its anti-diabetic properties in C57BL/KsJ-db/db mice. | Eur J Med Chem 64: 129-36 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23644189 | 12 | Design, synthesis and antitumour activity of bisquinoline derivatives connected by 4-oxy-3-fluoroaniline moiety. | Eur J Med Chem 64: 62-73 (2013) | Shenyang Pharmaceutical University | 2D 3D TSV |
23643900 | 35 | Structure-activity relationship of human glutaminyl cyclase inhibitors having an N-(5-methyl-1H-imidazol-1-yl)propyl thiourea template. | Bioorg Med Chem 21: 3821-30 (2013) | Seoul National University | 2D 3D TSV |
23642482 | 62 | Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1. | Bioorg Med Chem Lett 23: 3592-8 (2013) | Argenta Discovery Ltd | 2D 3D TSV |
23642479 | 277 | Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: development of chemical probe ML315. | Bioorg Med Chem Lett 23: 3654-61 (2013) | University of Kansas Specialized Chemistry Center | 2D 3D TSV |
23641311 | 38 | From a4ß2 Nicotinic Ligands to the Discovery of s1 Receptor Ligands: Pharmacophore Analysis and Rational Design. | ACS Med Chem Lett 3: 1054-1058 (2012) | TBA | 2D 3D TSV |
23639652 | 18 | Synthetic chalcones and sulfonamides as new classes of Yersinia enterocolitica YopH tyrosine phosphatase inhibitors. | Eur J Med Chem 64: 35-41 (2013) | Universidade Federal de Santa Catarina | 2D 3D TSV |
23639651 | 20 | Development of peptidomimetic boronates as proteasome inhibitors. | Eur J Med Chem 64: 23-34 (2013) | Universit£ degli Studi di Messina | 2D 3D TSV |
23639544 | 4 | Synthesis of proline analogues as potent and selective cathepsin S inhibitors. | Bioorg Med Chem Lett 23: 3140-4 (2013) | Hanmi Research Center | 2D 3D TSV |
23639542 | 32 | NO-donating tacrine derivatives as potential butyrylcholinesterase inhibitors with vasorelaxation activity. | Bioorg Med Chem Lett 23: 3162-5 (2013) | China Pharmaceutical University | 2D 3D TSV |
23639540 | 89 | Synthesis and structure-activity relationships of a novel and selective bone morphogenetic protein receptor (BMP) inhibitor derived from the pyrazolo[1.5-a]pyrimidine scaffold of dorsomorphin: the discovery of ML347 as an ALK2 versus ALK3 selective MLPCN probe. | Bioorg Med Chem Lett 23: 3248-52 (2013) | Vanderbilt University Medical Center | 2D 3D TSV |
23639537 | 9 | Design, synthesis and biological evaluation of indeno[1,2-d]thiazole derivatives as potent histone deacetylase inhibitors. | Bioorg Med Chem Lett 23: 3200-3 (2013) | Central South University | 2D 3D TSV |
23639535 | 17 | Modular, efficient synthesis of asymmetrically substituted piperazine scaffolds as potent calcium channel blockers. | Bioorg Med Chem Lett 23: 3257-61 (2013) | University of British Columbia | 2D 3D TSV |
23634759 | 32 | Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125). | J Med Chem 56: 4343-56 (2013) | Shionogi Pharmaceutical Research Center | 2D 3D TSV |
23634668 | 97 | Pyridinylquinazolines selectively inhibit human methionine aminopeptidase-1 in cells. | J Med Chem 56: 3996-4016 (2013) | Johns Hopkins University School of Medicine | 2D 3D TSV |
23632366 | 33 | Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors. | Bioorg Med Chem 21: 2960-7 (2013) | Nankai University | 2D 3D TSV |
23632270 | 17 | Discovery of potent transient receptor potential vanilloid 1 antagonists: design and synthesis of phenoxyacetamide derivatives. | Bioorg Med Chem Lett 23: 3154-6 (2013) | Toray Industries Inc | 2D 3D TSV |
23632269 | 9 | Discovery of (R)-N-(3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide (BMS-742413): a potent human CGRP antagonist with superior safety profile for the treatment of migraine through intranasal delivery. | Bioorg Med Chem Lett 23: 3157-61 (2013) | Bristol-Myers Squibb R & D | 2D 3D TSV |
23631755 | 37 | Structural, kinetic, and pharmacodynamic mechanisms of D-amino acid oxidase inhibition by small molecules. | J Med Chem 56: 3710-24 (2013) | Sunovion Pharmaceuticals Inc | 2D 3D TSV |
23631463 | 14 | Design, synthesis, and biological evaluation of aminoalkylindole derivatives as cannabinoid receptor ligands with potential for treatment of alcohol abuse. | J Med Chem 56: 4537-50 (2013) | The University of Kansas | 2D 3D TSV |
23631440 | 44 | Matrix metalloproteinase inhibitors based on the 3-mercaptopyrrolidine core. | J Med Chem 56: 4357-73 (2013) | Florida State University | 2D 3D TSV |
23631427 | 212 | Dual targeting of adenosine A(2A) receptors and monoamine oxidase B by 4H-3,1-benzothiazin-4-ones. | J Med Chem 56: 4580-96 (2013) | University of Bonn | 2D 3D TSV |
23631411 | 39 | Exploiting drug-resistant enzymes as tools to identify thienopyrimidinone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. | J Med Chem 56: 5436-45 (2013) | National Cancer Institute | 2D 3D TSV |
23628470 | 40 | Discovery of novel 4-(2-fluorophenoxy)quinoline derivatives bearing 4-oxo-1,4-dihydrocinnoline-3-carboxamide moiety as c-Met kinase inhibitors. | Bioorg Med Chem 21: 2843-55 (2013) | Shenyang Pharmaceutical University | 2D 3D TSV |
23628336 | 72 | Conformational restriction in a series of GPR119 agonists: differences in pharmacology between mouse and human. | Bioorg Med Chem Lett 23: 3175-9 (2013) | AstraZeneca | 2D 3D TSV |
23628333 | 69 | Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase. | Bioorg Med Chem Lett 23: 3186-94 (2013) | Genentech | 2D 3D TSV |
23627352 | 28 | Design, synthesis, and molecular modeling of novel pyrido[2,3-d]pyrimidine analogues as antifolates; application of Buchwald-Hartwig aminations of heterocycles. | J Med Chem 56: 4422-41 (2013) | Duquesne University | 2D 3D TSV |
23627311 | 88 | Synthesis and structure activity relationship of tetrahydroisoquinoline-based potentiators of GluN2C and GluN2D containing N-methyl-D-aspartate receptors. | J Med Chem 56: 5351-81 (2014) | Emory University | 2D 3D TSV |
23627295 | 4 | CROSS: an efficient workflow for reaction-driven rescaffolding and side-chain optimization using robust chemical reactions and available reagents. | J Med Chem 56: 4656-70 (2013) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
23627282 | 10 | Development and therapeutic implications of selective histone deacetylase 6 inhibitors. | J Med Chem 56: 6297-313 (2013) | University of Illinois at Chicago | 2D 3D TSV |
23623711 | 82 | Design and synthesis of novel opioid ligands with an azabicyclo[2.2.2]octane skeleton having a 7-amide side chain and their pharmacologies. | Bioorg Med Chem 21: 3032-50 (2013) | Kitasato University | 2D 3D TSV |
23623679 | 4 | Modification of agonist binding moiety in hybrid derivative 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-1-ol/-2-amino versions: impact on functional activity and selectivity for dopamine D2/D3 receptors. | Bioorg Med Chem 21: 3164-74 (2013) | Wayne State University | 2D 3D TSV |
23623677 | 2 | Development of cell-active non-peptidyl inhibitors of cysteine cathepsins. | Bioorg Med Chem 21: 2975-87 (2013) | The City University of New York | 2D 3D TSV |
23623674 | 1 | Synthetic approaches to the 2011 new drugs. | Bioorg Med Chem 21: 2795-825 (2013) | Shenogen Pharma Group | 2D 3D TSV |
23623673 | 119 | 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors. | Bioorg Med Chem 21: 2868-78 (2013) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
23623490 | 54 | Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design. | Bioorg Med Chem Lett 23: 3149-53 (2013) | Genentech | 2D 3D TSV |
23623418 | 140 | Effect of anchoring 4-anilidopiperidines to opioid peptides. | Bioorg Med Chem Lett 23: 3434-7 (2013) | University of Arizona | 2D 3D TSV |
23623416 | 6 | Synthesis and antifungal evaluation of pentyloxyl-diphenylisoxazoloyl pneumocandins and echinocandins. | Bioorg Med Chem Lett 23: 3253-6 (2013) | Merck Research Laboratories | 2D 3D TSV |
23623415 | 33 | Designing bifunctional NOP receptor-mu opioid receptor ligands from NOP receptor-selective scaffolds. Part I. | Bioorg Med Chem Lett 23: 3308-13 (2013) | Astraea Therapeutics, LLC. | 2D 3D TSV |
23623259 | 7 | Human acidic mammalian chitinase as a novel target for anti-asthma drug design using in silico screening. | Bioorg Med Chem 21: 3214-20 (2013) | Kitasato University | 2D 3D TSV |
23623258 | 36 | Selective CB2 agonists with anti-pruritic activity: discovery of potent and orally available bicyclic 2-pyridones. | Bioorg Med Chem 21: 3154-63 (2013) | Shionogi Pharmaceutical Research Center | 2D 3D TSV |
23623257 | 25 | Design and synthesis of 1-(benzothiazol-5-yl)-1H-1,2,4-triazol-5-ones as protoporphyrinogen oxidase inhibitors. | Bioorg Med Chem 21: 3245-55 (2013) | Central China Normal University | 2D 3D TSV |
23623256 | 38 | Synthesis and carbonic anhydrase inhibitory properties of sulfamides structurally related to dopamine. | Bioorg Med Chem 21: 2925-31 (2013) | Atat£rk University | 2D 3D TSV |
23622982 | 2 | Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators. | Bioorg Med Chem Lett 23: 3358-63 (2013) | Pfizer Inc | 2D 3D TSV |
23622981 | 25 | Dual-acting histone deacetylase-topoisomerase I inhibitors. | Bioorg Med Chem Lett 23: 3283-7 (2013) | Georgia Institute of Technology | 2D 3D TSV |
23621789 | 69 | Novel adamantyl cannabinoids as CB1 receptor probes. | J Med Chem 56: 3904-21 (2013) | Northeastern University | 2D 3D TSV |
23618710 | 75 | Probes for narcotic receptor mediated phenomena. 47. Novel C4a- and N-substituted-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-6-ols. | Bioorg Med Chem 21: 3298-309 (2013) | National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism | 2D 3D TSV |
23618709 | 70 | Discovery of 3-phenyl-1H-5-pyrazolylamine derivatives containing a urea pharmacophore as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3). | Bioorg Med Chem 21: 2856-67 (2013) | National Health Research Institutes | 2D 3D TSV |
23618707 | 27 | Evaluation of N-phenyl homopiperazine analogs as potential dopamine D3 receptor selective ligands. | Bioorg Med Chem 21: 2988-98 (2013) | Washington University | 2D 3D TSV |
23617784 | 74 | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (Nampt) inhibitors. | J Med Chem 56: 4921-37 (2013) | Forma Therapeutics Inc | 2D 3D TSV |
23615903 | 8 | The A128T resistance mutation reveals aberrant protein multimerization as the primary mechanism of action of allosteric HIV-1 integrase inhibitors. | J Biol Chem 288: 15813-20 (2013) | The Ohio State University | 2D 3D TSV |
23614571 | 20 | Development of 2'-substituted (2S,1'R,2'S)-2-(carboxycyclopropyl)glycine analogues as potent N-methyl-d-aspartic acid receptor agonists. | J Med Chem 56: 4071-81 (2013) | University of Copenhagen | 2D 3D TSV |
23614528 | 121 | Synthesis and in vitro and in vivo characterization of highlyß1-selectiveß-adrenoceptor partial agonists. | J Med Chem 56: 3852-65 (2013) | University of Nottingham | 2D 3D TSV |
23614497 | 40 | Identification and Characterization of a New Chemotype of Noncovalent SENP Inhibitors. | ACS Chem Biol 8: 1435-41 (2013) | Beckman Research Institute of the City of Hope | 2D 3D TSV |
23614494 | 2 | Structure-based fragment screening is demonstrated to be a practical lead discovery method for a representative G-protein-coupled receptor. | J Med Chem 56: 3444-5 (2013) | Pfizer Inc | 2D 3D TSV |
23614460 | 34 | Discovery of a new class of highly potent inhibitors of acid ceramidase: synthesis and structure-activity relationship (SAR). | J Med Chem 56: 3518-30 (2013) | Fondazione Istituto Italiano di Tecnologia | 2D 3D TSV |
23611771 | 8 | The kinetic deuterium isotope effect as applied to metabolic deactivation of imatinib to the des-methyl metabolite, CGP74588. | Bioorg Med Chem 21: 3231-9 (2013) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
23611768 | 34 | The systematic structure-activity relationship to predict how flavones bind to human androgen receptor for their antagonistic activity. | Bioorg Med Chem 21: 2968-74 (2013) | Meijo University | 2D 3D TSV |
23611766 | 8 | Skeletal rearrangement of seven-membered iminosugars: synthesis of (-)-adenophorine, (-)-1-epi-adenophorine and derivatives and evaluation as glycosidase inhibitors. | Bioorg Med Chem 21: 4803-12 (2013) | Universit£ de Poitiers | 2D 3D TSV |
23611691 | 21 | Protein kinase inhibitor design by targeting the Asp-Phe-Gly (DFG) motif: the role of the DFG motif in the design of epidermal growth factor receptor inhibitors. | J Med Chem 56: 3889-903 (2013) | National Health Research Institutes | 2D 3D TSV |
23611656 | 9 | Inhibition of rhodesain as a novel therapeutic modality for human African trypanosomiasis. | J Med Chem 56: 5637-58 (2014) | Universit£ degli Studi di Milano | 2D 3D TSV |
23610597 | 64 | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis. | ACS Med Chem Lett 4: 423-427 (2013) | PrenylX Research Institute | 2D 3D TSV |
23608764 | 23 | Discovery of natural estrogen receptor modulators with structure-based virtual screening. | Bioorg Med Chem Lett 23: 3329-33 (2013) | East China University of Science and Technology | 2D 3D TSV |
23608763 | 38 | Chalcones, inhibitors for topoisomerase I and cathepsin B and L, as potential anti-cancer agents. | Bioorg Med Chem Lett 23: 3320-4 (2013) | CHA University | 2D 3D TSV |
23606928 | 14 | Synthesis of novel analogs of cabergoline: improving cardiovascular safety by removing 5-HT2B receptor agonism. | ACS Med Chem Lett 4: 254-258 (2013) | University of Minnesota | 2D 3D TSV |
23606927 | 11 | 3D-QSAR Assisted Design, Synthesis and Evaluation of Novobiocin Analogues. | ACS Med Chem Lett 4: 57-62 (2012) | The University of Kansas | 2D 3D TSV |
23603658 | 33 | Structure-guided design of a selective BCL-X(L) inhibitor. | Nat Chem Biol 9: 390-7 (2013) | Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia | 2D 3D TSV |
23603045 | 1 | Triazolothiadiazoles and triazolothiadiazines--biologically attractive scaffolds. | Eur J Med Chem 63: 854-68 (2013) | Quaid-i-Azam University | 2D 3D TSV |
23602525 | 67 | Design, synthesis and pharmacological characterization of analogs of 2-aminoethyl diphenylborinate (2-APB), a known store-operated calcium channel blocker, for inhibition of TRPV6-mediated calcium transport. | Bioorg Med Chem 21: 3202-13 (2013) | University of Bern | 2D 3D TSV |
23602524 | 41 | Design, synthesis and biological evaluation of novel pyrimidine, 3-cyanopyridine and m-amino-N-phenylbenzamide based monocyclic EGFR tyrosine kinase inhibitors. | Bioorg Med Chem 21: 3090-104 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23602523 | 5 | The discovery of colchicine-SAHA hybrids as a new class of antitumor agents. | Bioorg Med Chem 21: 3240-4 (2013) | East China Normal University | 2D 3D TSV |
23602518 | 50 | Microwave assisted synthesis, cholinesterase enzymes inhibitory activities and molecular docking studies of new pyridopyrimidine derivatives. | Bioorg Med Chem 21: 3022-31 (2013) | Universiti Sains Malaysia | 2D 3D TSV |
23602445 | 23 | An analysis of the synthetic tryptamines AMT and 5-MeO-DALT: emerging 'Novel Psychoactive Drugs'. | Bioorg Med Chem Lett 23: 3411-5 (2013) | UCL School of Pharmacy | 2D 3D TSV |
23602444 | 2 | Cyclic peptides containing tryptophan and arginine as Src kinase inhibitors. | Bioorg Med Chem Lett 23: 3230-4 (2013) | University of Rhode Island | 2D 3D TSV |
23602442 | 28 | Discovery of diarylurea P2Y(1) antagonists with improved aqueous solubility. | Bioorg Med Chem Lett 23: 3239-43 (2013) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23602401 | 50 | Novel adenosine A(2A) receptor ligands: a synthetic, functional and computational investigation of selected literature adenosine A(2A) receptor antagonists for extending into extracellular space. | Bioorg Med Chem Lett 23: 3427-33 (2013) | Monash University (Parkville Campus) | 2D 3D TSV |
23602400 | 28 | Identification of the fused bicyclic 4-amino-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors. | Bioorg Med Chem Lett 23: 3325-8 (2013) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
23602399 | 8 | Tri-substituted imidazole analogues of SB203580 as inducers for cardiomyogenesis of human embryonic stem cells. | Bioorg Med Chem Lett 23: 3300-3 (2013) | Institute of Chemical and Engineering Sciences | 2D 3D TSV |
23602398 | 43 | Conformation constraint of anilides enabling the discovery of tricyclic lactams as potent MK2 non-ATP competitive inhibitors. | Bioorg Med Chem Lett 23: 3262-6 (2013) | Merck Research Laboratories | 2D 3D TSV |
23601816 | 33 | Synthesis and biological evaluation of Esaprazole analogues showings1 binding and neuroprotective properties in vitro. | Bioorg Med Chem 21: 3334-47 (2013) | Nensius Research A/S | 2D 3D TSV |
23601814 | 3 | Synthesis and biological evaluation of novel styryl benzimidazole derivatives as probes for imaging of neurofibrillary tangles in Alzheimer's disease. | Bioorg Med Chem 21: 3356-62 (2013) | Kyoto University | 2D 3D TSV |
23601709 | 3 | Radiosynthesis and evaluation of [11C]EMPA as a potential PET tracer for orexin 2 receptors. | Bioorg Med Chem Lett 23: 3389-92 (2013) | Harvard Medical School | 2D 3D TSV |
23601708 | 38 | 2-(1H-Pyrazol-4-yl)acetic acids as CRTh2 antagonists. | Bioorg Med Chem Lett 23: 3349-53 (2013) | Rhône-Poulenc Rorer | 2D 3D TSV |
23601707 | 1 | Therapeutic and pharmacokinetic characterizations of an anti-amyloidogenic bis-styrylbenzene derivative for Alzheimer's disease treatment. | Bioorg Med Chem Lett 23: 3467-9 (2013) | Korea Institute of Science and Technology | 2D 3D TSV |
23601706 | 31 | Design, synthesis, and biological evaluation of novel histone deacetylase 1 inhibitors through click chemistry. | Bioorg Med Chem Lett 23: 3295-9 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23600958 | 57 | Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1. | J Med Chem 56: 4082-92 (2013) | Xavier University of Louisiana | 2D 3D TSV |
23600925 | 12 | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. | J Med Chem 56: 3768-82 (2013) | H. Lee Moffitt Cancer Center and Research Institute | 2D 3D TSV |
23600806 | 52 | Discovery of new benzothiazole-based inhibitors of breakpoint cluster region-Abelson kinase including the T315I mutant. | J Med Chem 56: 3531-45 (2013) | Korea Institute of Science and Technology (KAIST) | 2D 3D TSV |
23598250 | 49 | Synthesis and evaluation of N-substituted nipecotic acid derivatives with an unsymmetrical bis-aromatic residue attached to a vinyl ether spacer as potential GABA uptake inhibitors. | Bioorg Med Chem 21: 3363-78 (2013) | Ludwig-Maximilians-University Munich | 2D 3D TSV |
23598249 | 6 | Design and synthesis of L- and D-phenylalanine derived rhodanines with novel C5-arylidenes as inhibitors of HCV NS5B polymerase. | Bioorg Med Chem 21: 3262-71 (2013) | St. John's University | 2D 3D TSV |
23598247 | 92 | Lead optimization of 5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxyhexanamides to reduce a cardiac safety issue: discovery of DS-8108b, an orally active renin inhibitor. | Bioorg Med Chem 21: 3175-96 (2013) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
23597792 | 20 | Pyrrolidine analogs of GZ-793A: synthesis and evaluation as inhibitors of the vesicular monoamine transporter-2 (VMAT2). | Bioorg Med Chem Lett 23: 3342-5 (2013) | University of Arkansas for Medical Sciences | 2D 3D TSV |
23597791 | 9 | 1,1-Difluoroethyl-substituted triazolothienopyrimidines as inhibitors of a human urea transport protein (UT-B): new analogs and binding model. | Bioorg Med Chem Lett 23: 3338-41 (2013) | San Francisco State University | 2D 3D TSV |
23597790 | 44 | Discovery of potent selective bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model. Part II: optimization studies and demonstration of in vivo efficacy. | Bioorg Med Chem Lett 23: 3443-7 (2013) | Pfizer Inc. | 2D 3D TSV |
23597102 | 2 | Inhibition of apurinic/apyrimidinic endonuclease I's redox activity revisited. | Biochemistry 52: 2955-66 (2013) | Indiana University School of Medicine, Indianapolis, IN 46202, USA | 2D 3D TSV |
23597064 | 68 | Rational design and binding mode duality of MDM2-p53 inhibitors. | J Med Chem 56: 4053-70 (2013) | Amgen Inc | 2D 3D TSV |
23597047 | 5 | Structure-based approaches to ligands for G-protein-coupled adenosine and P2Y receptors, from small molecules to nanoconjugates. | J Med Chem 56: 3749-67 (2013) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
23594271 | 68 | Identification of selective and potent inhibitors of fibroblast activation protein and prolyl oligopeptidase. | J Med Chem 56: 3467-77 (2013) | Tufts University Sackler School of Biomedical Sciences | 2D 3D TSV |
23594111 | 7 | Discovery of a Selective Irreversible BMX Inhibitor for Prostate Cancer. | ACS Chem Biol 8: 1423-8 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23594083 | 7 | Evaluating the Role of Macrocycles in the Susceptibility of Hepatitis C Virus NS3/4A Protease Inhibitors to Drug Resistance. | ACS Chem Biol 8: 1469-78 (2013) | University of Massachusetts Medical School | 2D 3D TSV |
23591112 | 4 | Discovery of aryl ureas and aryl amides as potent and selective histamine H3 receptor antagonists for the treatment of obesity (part II). | Bioorg Med Chem Lett 23: 3421-6 (2013) | Sanofi US | 2D 3D TSV |
23591111 | 2 | A cyclodextrin-capped histone deacetylase inhibitor. | Bioorg Med Chem Lett 23: 3346-8 (2013) | University of Sussex | 2D 3D TSV |
23591110 | 28 | Discovery of aryl ureas and aryl amides as potent and selective histamine H3 receptor antagonists for the treatment of obesity (part I). | Bioorg Med Chem Lett 23: 3416-20 (2013) | Sanofi US | 2D 3D TSV |
23590342 | 105 | ß-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease. | J Med Chem 56: 3980-95 (2013) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
23587425 | 37 | Potency switch between CHK1 and MK2: discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors. | Bioorg Med Chem Lett 23: 2863-7 (2013) | Merck Research Laboratories | 2D 3D TSV |
23587424 | 55 | Kappa-opioid receptor-selective dicarboxylic ester-derived salvinorin A ligands. | Bioorg Med Chem Lett 23: 2860-2 (2013) | University of Mississippi | 2D 3D TSV |
23587423 | 1 | A small molecule inhibitor of fungal histone acetyltransferase Rtt109. | Bioorg Med Chem Lett 23: 2853-9 (2013) | University of Massachusetts Medical School | 2D 3D TSV |
23587422 | 1 | Recent advances in malaria drug discovery. | Bioorg Med Chem Lett 23: 2829-43 (2013) | Drug Discovery for Tropical Diseases | 2D 3D TSV |
23586812 | 38 | Development of a selective peptide macrocycle inhibitor of coagulation factor XII toward the generation of a safe antithrombotic therapy. | J Med Chem 56: 3742-6 (2013) | Ecole Polytechnique F�d�rale de Lausanne EPFL | 2D 3D TSV |
23586711 | 4 | Pyridine-substituted desoxyritonavir is a more potent inhibitor of cytochrome P450 3A4 than ritonavir. | J Med Chem 56: 3733-41 (2013) | University of California | 2D 3D TSV |
23586645 | 48 | Thiophene-core estrogen receptor ligands having superagonist activity. | J Med Chem 56: 3346-66 (2013) | Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) | 2D 3D TSV |
23585921 | 52 | Synthesis and | Medchemcomm 4: 443-449 (2013) | Washington University School of Medicine | 2D 3D TSV |
23585920 | 11 | Inhibition of Ras-Effector Interaction by Cyclic Peptides. | Medchemcomm 4: 378-382 (2013) | The Ohio State University | 2D 3D TSV |
23585918 | 16 | Tuned-Affinity Bivalent Ligands for the Characterization of Opioid Receptor Heteromers. | ACS Med Chem Lett 3: 640-644 (2012) | TBA | 2D 3D TSV |
23584544 | 12 | Antibacterial oxazolidinone analogues having a N-hydroxyacetyl-substituted seven-membered [1,2,5]triazepane or [1,2,5]oxadiazepane C-ring unit. | Eur J Med Chem 63: 811-25 (2013) | Research Foundation Itsuu Laboratory | 2D 3D TSV |
23584542 | 1 | Synthesis and evaluation of novel marine bromopyrrole alkaloid-based hybrids as anticancer agents. | Eur J Med Chem 63: 793-9 (2013) | NMIMS University | 2D 3D TSV |
23583911 | 10 | Design, synthesis and biological evaluation of new classes of thieno[3,2-d]pyrimidinone and thieno[1,2,3]triazine as inhibitor of vascular endothelial growth factor receptor-2 (VEGFR-2). | Eur J Med Chem 63: 765-81 (2013) | Universit£ de Lorraine | 2D 3D TSV |
23583910 | 24 | Aminopropylindenes derived from Grundmann's ketone as a novel chemotype of oxidosqualene cyclase inhibitors. | Eur J Med Chem 63: 758-64 (2013) | Ludwig-Maximilians-Universit£t M£nchen | 2D 3D TSV |
23583513 | 25 | Optimization of a 1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione series of HIV capsid assembly inhibitors 1: addressing configurational instability through scaffold modification. | Bioorg Med Chem Lett 23: 3396-400 (2013) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
23583510 | 17 | Novel racemic tetrahydrocurcuminoid dihydropyrimidinone analogues as potent acetylcholinesterase inhibitors. | Bioorg Med Chem Lett 23: 2880-2 (2013) | Ramkhamhaeng University | 2D 3D TSV |
23582779 | 43 | Discovery of novel orally bioavailable GPR40 agonists. | Bioorg Med Chem Lett 23: 2920-4 (2013) | Shanghai Hengrui Pharmaceutical Co., Ltd | 2D 3D TSV |
23582449 | 20 | Synthesis and biological evaluation of 2-(5-methyl-4-phenyl-2-oxopyrrolidin-1-yl)-acetamide stereoisomers as novel positive allosteric modulators of sigma-1 receptor. | Bioorg Med Chem 21: 2764-71 (2013) | Institute of Organic Synthesis | 2D 3D TSV |
23582444 | 20 | Structure-activity studies on the side chain of a simplified analog of aplysiatoxin (aplog-1) with anti-proliferative activity. | Bioorg Med Chem 21: 2695-702 (2013) | Kyoto University | 2D 3D TSV |
23582275 | 27 | Design and synthesis of 2-N-substituted indazolone derivatives as non-carboxylic acid glycogen synthase activators. | Bioorg Med Chem Lett 23: 2936-40 (2013) | Hoffmann-La Roche Inc | 2D 3D TSV |
23582273 | 12 | Synthesis and antitumor activity of 1,3,4-oxadiazole possessing 1,4-benzodioxan moiety as a novel class of potent methionine aminopeptidase type II inhibitors. | Bioorg Med Chem Lett 23: 2876-9 (2013) | Nanjing University | 2D 3D TSV |
23582272 | 25 | Discovery of potent, selective, bioavailable phosphodiesterase 2 (PDE2) inhibitors active in an osteoarthritis pain model, part I: transformation of selective pyrazolodiazepinone phosphodiesterase 4 (PDE4) inhibitors into selective PDE2 inhibitors. | Bioorg Med Chem Lett 23: 3438-42 (2013) | Pfizer Inc. | 2D 3D TSV |
23581848 | 8 | Design and synthesis of a tetrahydroisoquinoline-based hydroxamate derivative (ZYJ-34v), an oral active histone deacetylase inhibitor with potent antitumor activity. | Chem Biol Drug Des 82: 125-30 (2013) | Shandong University | 2D 3D TSV |
23581745 | 10 | Synthesis, evaluation and molecular docking of prolyl-fluoropyrrolidine derivatives as dipeptidyl peptidase IV inhibitors. | Chem Biol Drug Des 82: 156-66 (2013) | Delhi Institute of Pharmaceutical Sciences and Research | 2D 3D TSV |
23581708 | 15 | In vitro evaluation of selected benzimidazole derivatives as an antioxidant and xanthine oxidase inhibitors. | Chem Biol Drug Des 82: 290-5 (2013) | Konkuk University | 2D 3D TSV |
23581551 | 75 | Design, synthesis, and structure-activity relationship studies of novel 3-alkylindole derivatives as selective and highly potent myeloperoxidase inhibitors. | J Med Chem 56: 3943-58 (2013) | Universit£ Libre de Bruxelles | 2D 3D TSV |
23581530 | 8 | 5-Oxo-ETE receptor antagonists. | J Med Chem 56: 3725-32 (2013) | Florida Institute of Technology | 2D 3D TSV |
23581491 | 3 | New multifunctional Di-tert-butylphenoloctahydro(pyrido/benz)oxazine derivatives with antioxidant, antihyperlipidemic, and antidiabetic action. | J Med Chem 56: 3330-8 (2013) | University of Athens | 2D 3D TSV |
23578689 | 20 | Conformationally restricted homotryptamines. Part 6: indole-5-cycloalkyl methylamines as selective serotonin reuptake inhibitors. | Bioorg Med Chem Lett 23: 2948-50 (2013) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
23578312 | 22 | Design, synthesis and evaluation of 2-phenylisothiazolidin-3-one-1,1-dioxides as a new class of human protein kinase CK2 inhibitors. | J Enzyme Inhib Med Chem 29: 338-43 (2014) | NAS of Ukraine | 2D 3D TSV |
23575276 | 15 | Triazole derivatives: a series of Darapladib analogues as orally active Lp-PLA2 inhibitors. | Bioorg Med Chem Lett 23: 2897-901 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23574807 | 12 | Synthesis, antidepressant evaluation and docking studies of long-chain alkylnitroquipazines as serotonin transporter inhibitors. | Chem Biol Drug Des 81: 695-706 (2013) | University of Troms£ | 2D 3D TSV |
23574308 | 14 | Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase. | J Med Chem 56: 3609-19 (2013) | University of Copenhagen | 2D 3D TSV |
23574272 | 30 | Screening and structural analysis of flavones inhibiting tankyrases. | J Med Chem 56: 3507-17 (2013) | University of Oulu | 2D 3D TSV |
23571415 | 267 | Structure-based identification of OATP1B1/3 inhibitors. | Mol Pharmacol 83: 1257-67 (2013) | KU Leuven | 2D 3D TSV |
23570792 | 61 | SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors. | Bioorg Med Chem Lett 23: 3081-7 (2013) | EMD-Serono Research Institute, Inc | 2D 3D TSV |
23570791 | 2 | Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors. | Bioorg Med Chem Lett 23: 3075-80 (2013) | Elan Pharmaceuticals | 2D 3D TSV |
23570788 | 23 | A facile chemo-, regio- and stereoselective synthesis and cholinesterase inhibitory activity of spirooxindole-pyrrolizine-piperidine hybrids. | Bioorg Med Chem Lett 23: 2979-83 (2013) | Universiti Sains Malaysia | 2D 3D TSV |
23570561 | 80 | Synthesis and biological evaluation of urea derivatives as highly potent and selective rho kinase inhibitors. | J Med Chem 56: 3568-81 (2013) | The Scripps Research Institute | 2D 3D TSV |
23570542 | 48 | Design and synthesis of dual-action inhibitors targeting histone deacetylases and 3-hydroxy-3-methylglutaryl coenzyme A reductase for cancer treatment. | J Med Chem 56: 3645-55 (2013) | National Taiwan University | 2D 3D TSV |
23570514 | 120 | Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3. | J Med Chem 56: 3666-79 (2013) | Sirtris a GSK Company | 2D 3D TSV |
23567958 | 31 | Synthesis, structure-activity relationship analysis and kinetics study of reductive derivatives of flavonoids as Helicobacter pylori urease inhibitors. | Eur J Med Chem 63: 685-95 (2013) | Jishou University | 2D 3D TSV |
23566764 | 7 | Direct targeting ofß-catenin: Inhibition of protein-protein interactions for the inactivation of Wnt signaling. | Bioorg Med Chem 21: 4020-6 (2013) | Chemical Genomics Centre of the Max Planck Society | 2D 3D TSV |
23566759 | 16 | Synthesis of new heterocyclic hybrids based on pyrazole and thiazolidinone scaffolds as potent inhibitors of tyrosinase. | Bioorg Med Chem 21: 2772-7 (2013) | Bahirji Smarak Mahavidyalaya | 2D 3D TSV |
23566517 | 69 | Novel quinoline derivatives as inhibitors of bacterial DNA gyrase and topoisomerase IV. | Bioorg Med Chem Lett 23: 2955-61 (2013) | Pfizer Inc. | 2D 3D TSV |
23566515 | 23 | Synthesis and structure-activity relationships of 2-amino-3-carboxy-4-phenylthiophenes as novel atypical protein kinase C inhibitors. | Bioorg Med Chem Lett 23: 3034-8 (2013) | Penn State University College of Medicine | 2D 3D TSV |
23566514 | 2 | Discovery and synthesis of novel 4-aminopyrrolopyrimidine Tie-2 kinase inhibitors for the treatment of solid tumors. | Bioorg Med Chem Lett 23: 3059-63 (2013) | Pfizer Inc | 2D 3D TSV |
23566315 | 3 | Targeting mutant KRAS for anticancer therapeutics: a review of novel small molecule modulators. | J Med Chem 56: 5219-30 (2014) | The University of Arizona | 2D 3D TSV |
23566299 | 3 | Determination of the ?-conotoxin Vc1.1 binding site on the ?9?10 nicotinic acetylcholine receptor. | J Med Chem 56: 3557-67 (2013) | The University of Queensland | 2D 3D TSV |
23566269 | 90 | 4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors. | J Med Chem 56: 3582-92 (2013) | Astellas Pharma Inc | 2D 3D TSV |
23566245 | 15 | Synthesis and evaluation of novel (18)F-labeled spirocyclic piperidine derivatives ass1 receptor ligands for positron emission tomography imaging. | J Med Chem 56: 3478-91 (2013) | Key Laboratory of Radiopharmaceuticals Beijing Normal University | 2D 3D TSV |
23565325 | 9 | The C-terminus of Botulinum A Protease Has Profound and Unanticipated Kinetic Consequences Upon the Catalytic Cleft. | ACS Med Chem Lett 4: 283-287 (2013) | The Scripps Research Institute | 2D 3D TSV |
23562595 | 98 | Identification of new peptide amides as selective cathepsin L inhibitors: the first step towards selective irreversible inhibitors? | Bioorg Med Chem Lett 23: 2968-73 (2013) | National Institute of Biology | 2D 3D TSV |
23562594 | 33 | Discovery of novel Jak2-Stat pathway inhibitors with extended residence time on target. | Bioorg Med Chem Lett 23: 3105-10 (2013) | AstraZeneca | 2D 3D TSV |
23562243 | 11 | Discovery of a small-molecule inhibitor and cellular probe of Keap1-Nrf2 protein-protein interaction. | Bioorg Med Chem Lett 23: 3039-43 (2013) | The State University of New Jersey | 2D 3D TSV |
23562241 | 2 | Novel VEGFR-2 kinase inhibitors identified by the back-to-front approach. | Bioorg Med Chem Lett 23: 2962-7 (2013) | Mahidol University | 2D 3D TSV |
23562063 | 32 | The design and synthesis of a potent glucagon receptor antagonist with favorable physicochemical and pharmacokinetic properties as a candidate for the treatment of type 2 diabetes mellitus. | Bioorg Med Chem Lett 23: 3051-8 (2013) | Pfizer Inc | 2D 3D TSV |
23562062 | 4 | Arylsulfonamide pyrimidines as VLA-4 antagonists. | Bioorg Med Chem Lett 23: 3070-4 (2013) | Elan Pharmaceuticals, Inc. | 2D 3D TSV |
23562060 | 9 | Discovery of ML326: The first sub-micromolar, selective M5 PAM. | Bioorg Med Chem Lett 23: 2996-3000 (2013) | Vanderbilt University Medical Center | 2D 3D TSV |
23562059 | 6 | Design, synthesis and evaluation of some new 4-aminopyridine derivatives in learning and memory. | Bioorg Med Chem Lett 23: 2984-9 (2013) | Banaras Hindu University | 2D 3D TSV |
23562056 | 18 | Conformational restriction approach to BACE1 inhibitors II: SAR study of the isocytosine derivatives fixed with a cis-cyclopropane ring. | Bioorg Med Chem Lett 23: 2912-5 (2013) | Shionogi & Co., Ltd | 2D 3D TSV |
23561269 | 53 | Neonicotinic analogues: selective antagonists fora4ß2 nicotinic acetylcholine receptors. | Bioorg Med Chem 21: 2687-94 (2013) | University of Chile | 2D 3D TSV |
23560650 | 46 | Synthesis and biological evaluation of a new series of hexahydro-2H-pyrano[3,2-c]quinolines as novel selectives1 receptor ligands. | J Med Chem 56: 3656-65 (2013) | Esteve | 2D 3D TSV |
23558237 | 17 | A novel series of histamine H4 receptor antagonists based on the pyrido[3,2-d]pyrimidine scaffold: comparison of hERG binding and target residence time with PF-3893787. | Bioorg Med Chem Lett 23: 2663-70 (2013) | Griffin Discoveries BV | 2D 3D TSV |
23550966 | 4 | Cytotoxic, antitopoisomerase II?, and anti-HIV-1 activities of triterpenoids isolated from leaves and twigs of Gardenia carinata. | J Nat Prod 76: 530-7 (2013) | Mahidol University | 2D 3D TSV |
23550937 | 72 | Monocarbonyl curcumin analogues: heterocyclic pleiotropic kinase inhibitors that mediate anticancer properties. | J Med Chem 56: 3456-66 (2013) | Emory University | 2D 3D TSV |
23548908 | 1 | Inhibition of isoleucyl-tRNA synthetase as a potential treatment for human African Trypanosomiasis. | J Biol Chem 288: 14256-63 (2013) | University of Washington | 2D 3D TSV |
23548164 | 1 | Neoclerodanes as atypical opioid receptor ligands. | J Med Chem 56: 3435-43 (2013) | University of Kansas | 2D 3D TSV |
23547843 | 3 | Cytotoxicity and modulation of cancer-related signaling by (Z)- and (E)-3,4,3',5'-tetramethoxystilbene isolated from Eugenia rigida. | J Nat Prod 76: 679-84 (2013) | The University of Mississippi | 2D 3D TSV |
23547776 | 25 | Development of an ALK2-Biased BMP Type I Receptor Kinase Inhibitor. | ACS Chem Biol 8: 1291-302 (2013) | Massachusetts Institute of Technology | 2D 3D TSV |
23547775 | 33 | Structural basis for inhibition of the fat mass and obesity associated protein (FTO). | J Med Chem 56: 3680-8 (2013) | University of Oxford | 2D 3D TSV |
23547757 | 42 | Potent proteasome inhibitors derived from the unnatural cis-cyclopropane isomer of Belactosin A: synthesis, biological activity, and mode of action. | J Med Chem 56: 3689-700 (2013) | Hokkaido University | 2D 3D TSV |
23547706 | 2 | Oxadiazole-isopropylamides as potent and noncovalent proteasome inhibitors. | J Med Chem 56: 3783-805 (2013) | Moffitt Cancer Center | 2D 3D TSV |
23547652 | 27 | 3-Hydroxypyridin-2-thione as novel zinc binding group for selective histone deacetylase inhibition. | J Med Chem 56: 3492-506 (2013) | Georgia Institute of Technology | 2D 3D TSV |
23547584 | 19 | Biological active analogues of the opioid peptide biphalin: mixeda/ß(3)-peptides. | J Med Chem 56: 3419-23 (2013) | Universit£ di Chieti-Pescara"G. d'Annunzio" | 2D 3D TSV |
23545138 | 4 | (3R,4S,5R,6R,7S)-3,4,5,7-Tetrahydroxyconidine, an azetidine analogue of 6,7-diepicastanospermine and a conformationally constrained d-deoxyaltronojirimycin, from l-arabinose. | Bioorg Med Chem 21: 4813-9 (2013) | University of Oxford | 2D 3D TSV |
23545109 | 30 | Virtual medicinal chemistry: in silico pre-docking functional group transformation for discovery of novel inhibitors of botulinum toxin serotype A light chain. | Bioorg Med Chem Lett 23: 2505-11 (2013) | PanThera Biopharma, LLC | 2D 3D TSV |
23545108 | 12 | Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors. | Bioorg Med Chem Lett 23: 2585-9 (2013) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
23544424 | 4 | Hepatitis C replication inhibitors that target the viral NS4B protein. | J Med Chem 57: 2107-20 (2014) | GlaxoSmithKline | 2D 3D TSV |
23542166 | 1 | Structure-activity relationship of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole analogues as 5-HT(6) receptor agonists. | Eur J Med Chem 63: 578-88 (2013) | NeuroSearch Sweden AB | 2D 3D TSV |
23541836 | 24 | Design, synthesis and evaluation of tacrine-flurbiprofen-nitrate trihybrids as novel anti-Alzheimer's disease agents. | Bioorg Med Chem 21: 2462-70 (2013) | China Pharmaceutical University | 2D 3D TSV |
23541835 | 46 | Discovery of aryl-biphenyl-2-ylmethylpiperazines as novel scaffolds for 5-HT(7) ligands and role of the aromatic substituents in binding to the target receptor. | Bioorg Med Chem 21: 2568-76 (2013) | Institute of Science and Technology | 2D 3D TSV |
23541833 | 3 | Synthesis of (S)-FTY720 vinylphosphonate analogues and evaluation of their potential as sphingosine kinase 1 inhibitors and activators. | Bioorg Med Chem 21: 2503-10 (2013) | The City University of New York | 2D 3D TSV |
23541670 | 63 | Discovery of a series of novel 5H-pyrrolo[2,3-b]pyrazine-2-phenyl ethers, as potent JAK3 kinase inhibitors. | Bioorg Med Chem Lett 23: 2522-6 (2013) | Hoffmann-La Roche Inc | 2D 3D TSV |
23541669 | 92 | Identification and design of a novel series of MGAT2 inhibitors. | Bioorg Med Chem Lett 23: 2721-6 (2013) | AstraZeneca | 2D 3D TSV |
23541651 | 8 | Inhibitors of the p53/hdm2 protein-protein interaction-path to the clinic. | Bioorg Med Chem Lett 23: 2480-5 (2013) | Sanofi | 2D 3D TSV |
23541650 | 1 | C1 and N5 derivatives of cerpegin: synthesis of a new series based on structure-activity relationships to optimize their inhibitory effect on 20S proteasome. | Bioorg Med Chem Lett 23: 2696-703 (2013) | Yerevan State University | 2D 3D TSV |
23540955 | 24 | Synthesis and SAR study of new thiazole derivatives as vascular adhesion protein-1 (VAP-1) inhibitors for the treatment of diabetic macular edema: part 2. | Bioorg Med Chem 21: 2478-94 (2013) | Astellas Pharma Inc | 2D 3D TSV |
23540790 | 57 | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome. | J Med Chem 56: 3367-78 (2013) | University Paris 6 | 2D 3D TSV |
23540737 | 26 | Novel pyridinone derivatives as non-nucleoside reverse transcriptase inhibitors (NNRTIs) with high potency against NNRTI-resistant HIV-1 strains. | J Med Chem 56: 3593-608 (2013) | Peking University | 2D 3D TSV |
23540678 | 26 | Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selectivea4ß2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats. | J Med Chem 56: 3000-11 (2013) | Georgetown University Medical Center | 2D 3D TSV |
23540648 | 103 | Strategic use of conformational bias and structure based design to identify potent JAK3 inhibitors with improved selectivity against the JAK family and the kinome. | Bioorg Med Chem Lett 23: 2793-800 (2013) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
23540646 | 14 | Design, synthesis and biological activity of multifunctional ?,?-unsaturated carbonyl scaffolds for Alzheimer's disease. | Bioorg Med Chem Lett 23: 2614-8 (2013) | University of Massachusetts Boston | 2D 3D TSV |
23540645 | 140 | Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinaseß isoform. | Bioorg Med Chem Lett 23: 2606-13 (2013) | Genentech Inc | 2D 3D TSV |
23540644 | 59 | Small-molecule inhibitors of cathepsin L incorporating functionalized ring-fused molecular frameworks. | Bioorg Med Chem Lett 23: 2801-7 (2013) | Baylor University | 2D 3D TSV |
23538233 | 16 | Design, synthesis and biological activities of Nilotinib derivates as antitumor agents. | Bioorg Med Chem 21: 2527-34 (2013) | Xi'an Jiaotong University | 2D 3D TSV |
23537943 | 4 | Novel pyrimidoazepine analogs as serotonin 5-HT(2A) and 5-HT(2C) receptor ligands for the treatment of obesity. | Eur J Med Chem 63: 558-69 (2013) | Korea Institute of Science and Technology | 2D 3D TSV |
23537249 | 165 | Spirocyclicß-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloidß in a higher species. | J Med Chem 56: 3379-403 (2013) | Array BioPharma | 2D 3D TSV |
23535563 | 64 | Investigation of the role of linker moieties in bifunctional tacrine hybrids. | Bioorg Med Chem 21: 3614-23 (2013) | University of Michigan | 2D 3D TSV |
23535330 | 83 | Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors. | Bioorg Med Chem Lett 23: 2590-4 (2013) | Merck Research Laboratories | 2D 3D TSV |
23535328 | 4 | Discovery, synthesis, selectivity modulation and DMPK characterization of 5-azaspiro[2.4]heptanes as potent orexin receptor antagonists. | Bioorg Med Chem Lett 23: 2653-8 (2013) | Rottapharm Madaus | 2D 3D TSV |
23535327 | 44 | Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 2. | Bioorg Med Chem Lett 23: 2659-62 (2013) | Kitasato University | 2D 3D TSV |
23535326 | 10 | Novel and highly potent histamine H3 receptor ligands. Part 3: an alcohol function to improve the pharmacokinetic profile. | Bioorg Med Chem Lett 23: 2548-54 (2013) | Bioprojet-Biotech | 2D 3D TSV |
23534930 | 10 | Antileishmanial activity evaluation of bis-lawsone analogs and DNA topoisomerase-I inhibition studies. | J Enzyme Inhib Med Chem 29: 185-9 (2014) | Karunya University | 2D 3D TSV |
23534475 | 27 | De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments. | ACS Chem Biol 8: 1044-52 (2013) | University of Dundee | 2D 3D TSV |
23534442 | 32 | Novel analgesic/anti-inflammatory agents: 1,5-diarylpyrrole nitrooxyalkyl ethers and related compounds as cyclooxygenase-2 inhibiting nitric oxide donors. | J Med Chem 56: 3191-206 (2013) | Universit£ degli Studi di Siena | 2D 3D TSV |
23531458 | 6 | Synthesis and biological evaluation of oleanolic acid derivatives as PTP1B inhibitors. | Eur J Med Chem 63: 511-22 (2013) | North-West University | 2D 3D TSV |
23530754 | 25 | Fragment-based drug discovery of 2-thiazolidinones as inhibitors of the histone reader BRD4 bromodomain. | J Med Chem 56: 3833-51 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23530623 | 65 | Identification of selective inhibitors for human neuraminidase isoenzymes using C4,C7-modified 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (DANA) analogues. | J Med Chem 56: 2948-58 (2013) | University of Alberta | 2D 3D TSV |
23528300 | 48 | Design and synthesis of 2-substituted benzoxazoles as novel PTP1B inhibitors. | Bioorg Med Chem Lett 23: 2579-84 (2013) | Aurigene Discovery Technologies Limited | 2D 3D TSV |
23528299 | 4 | Discovery of a synthetic Aminopeptidase N inhibitor LB-4b as a potential anticancer agent. | Bioorg Med Chem Lett 23: 2512-7 (2013) | Shandong University | 2D 3D TSV |
23528298 | 64 | Molecular design, synthesis and biological evaluation of cyclic imides bearing benzenesulfonamide fragment as potential COX-2 inhibitors. Part 2. | Bioorg Med Chem Lett 23: 2601-5 (2013) | King Saud University | 2D 3D TSV |
23528297 | 6 | A thiocarbamate inhibitor of endothelial lipase raises HDL cholesterol levels in mice. | Bioorg Med Chem Lett 23: 2595-7 (2013) | Janssen Research and Development LLC | 2D 3D TSV |
23528296 | 65 | Arylpiperazines as fatty acid transport protein 1 (FATP1) inhibitors with improved potency and pharmacokinetic properties. | Bioorg Med Chem Lett 23: 2560-5 (2013) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
23527816 | 7 | SAR based design of nicotinamides as a novel class of androgen receptor antagonists for prostate cancer. | J Med Chem 56: 3414-8 (2013) | Chonnam National University | 2D 3D TSV |
23527738 | 82 | Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen. | J Med Chem 56: 3296-309 (2013) | Peking University | 2D 3D TSV |
23527317 | 74 | Exploring the effect of | Medchemcomm 4: 564-568 (2013) | University of Arkansas for Medical Sciences | 2D 3D TSV |
23524643 | 3 | Multivalent Interactions: Synthesis and Evaluation of Melanotropin Multimers - Tools for Melanoma Targeting. | ACS Med Chem Lett 4: 98-102 (2013) | Universit£ P. et M. Curie | 2D 3D TSV |
23524160 | 4 | Synthesis and biological evaluation of novel pyrrolidine-2,5-dione derivatives as potential antidepressant agents. Part 1. | Eur J Med Chem 63: 484-500 (2013) | Medical University of Warsaw | 2D 3D TSV |
23523388 | 27 | Design and synthesis of novel chromenone derivatives as interleukin-5 inhibitors. | Bioorg Med Chem 21: 2543-50 (2013) | Chungnam National University | 2D 3D TSV |
23523385 | 73 | Discovery of subtype selective muscarinic receptor antagonists as alternatives to atropine using in silico pharmacophore modeling and virtual screening methods. | Bioorg Med Chem 21: 2651-62 (2013) | Walter Reed Army Institute of Research | 2D 3D TSV |
23522835 | 7 | In silico identification of poly(ADP-ribose)polymerase-1 inhibitors and their chemosensitizing effects against cisplatin-resistant human gastric cancer cells. | Bioorg Med Chem Lett 23: 2642-6 (2013) | Sungkyunkwan [corrected] University | 2D 3D TSV |
23522834 | 72 | Design and synthesis of highly selective, orally active Polo-like kinase-2 (Plk-2) inhibitors. | Bioorg Med Chem Lett 23: 2743-9 (2013) | Elan Pharmaceuticals | 2D 3D TSV |
23522563 | 94 | Substituted thieno[2,3-d]pyrimidines as adenosine A2A receptor antagonists. | Bioorg Med Chem Lett 23: 2688-91 (2013) | Janssen Research & Development, LLC | 2D 3D TSV |
23521768 | 3 | Aminophenoxazinones as inhibitors of indoleamine 2,3-dioxygenase (IDO). Synthesis of exfoliazone and chandrananimycin A. | J Med Chem 56: 3310-7 (2013) | University of Nottingham | 2D 3D TSV |
23521080 | 6 | Potent fibrinolysis inhibitor discovered by shape and electrostatic complementarity to the drug tranexamic acid. | J Med Chem 56: 3273-80 (2013) | AstraZeneca | 2D 3D TSV |
23521048 | 14 | Synthesis and structure-activity relationships of 5,6,7-substituted pyrazolopyrimidines: discovery of a novel TSPO PET ligand for cancer imaging. | J Med Chem 56: 3429-33 (2013) | Vanderbilt University Institute of Imaging Science (VUIIS) | 2D 3D TSV |
23521020 | 116 | Discovery and optimization of 3-(2-(Pyrazolo[1,5-a]pyrimidin-6-yl)ethynyl)benzamides as novel selective and orally bioavailable discoidin domain receptor 1 (DDR1) inhibitors. | J Med Chem 56: 3281-95 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23520985 | 12 | Synthesis and biological activities of a new class of heat shock protein 90 inhibitors, designed by energy-based pharmacophore virtual screening. | J Med Chem 56: 3424-8 (2013) | Universit£ di Palermo | 2D 3D TSV |
23519677 | 8 | Improving the affinity of SL0101 for RSK using structure-based design. | ACS Med Chem Lett 4: 175-179 (2012) | Vanderbilt University | 2D 3D TSV |
23518277 | 2 | Design and synthesis of 1-aryl-5-anilinoindazoles as c-Jun N-terminal kinase inhibitors. | Bioorg Med Chem Lett 23: 2683-7 (2013) | The Scripps Research Institute | 2D 3D TSV |
23517722 | 13 | A comprehensive review on synthesis and designing aspects of coumarin derivatives as monoamine oxidase inhibitors for depression and Alzheimer's disease. | Bioorg Med Chem 21: 2434-50 (2013) | R.C. Patel Institute of Pharmaceutical Education and Research | 2D 3D TSV |
23517721 | 8 | Novel dual cyclooxygenase and lipoxygenase inhibitors targeting hyaluronan-CD44v6 pathway and inducing cytotoxicity in colon cancer cells. | Bioorg Med Chem 21: 2551-9 (2013) | Medical University of South Carolina | 2D 3D TSV |
23517538 | 15 | Achiral pyrazinone-based inhibitors of the hepatitis C virus NS3 protease and drug-resistant variants with elongated substituents directed toward the S2 pocket. | J Med Chem 57: 1790-801 (2014) | Uppsala University | 2D 3D TSV |
23517479 | 13 | Orally active opioid compounds from a non-poppy source. | J Med Chem 56: 4840-8 (2013) | Temple University School of Pharmacy | 2D 3D TSV |
23517145 | 11 | Anti-inflammatory lanostanoids and lactone derivatives from Antrodia camphorata. | J Nat Prod 76: 489-94 (2013) | National Sun Yat-sen University | 2D 3D TSV |
23517069 | 1 | Therapeutic agents triggering nonapoptotic cancer cell death. | J Med Chem 56: 4823-39 (2013) | Texas State University-San Marcos | 2D 3D TSV |
23517028 | 2 | Biophysical fragment screening of theß1-adrenergic receptor: identification of high affinity arylpiperazine leads using structure-based drug design. | J Med Chem 56: 3446-55 (2013) | Heptares Therapeutics Ltd. | 2D 3D TSV |
23517011 | 29 | Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands. | J Med Chem 56: 3217-27 (2013) | University of Oxford | 2D 3D TSV |
23516963 | 99 | Substituted 7-amino-5-thio-thiazolo[4,5-d]pyrimidines as potent and selective antagonists of the fractalkine receptor (CX3CR1). | J Med Chem 56: 3177-90 (2013) | AstraZeneca | 2D 3D TSV |
23514631 | 19 | Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt). | Eur J Med Chem 63: 378-86 (2013) | National University of Singapore | 2D 3D TSV |
23511020 | 22 | Carbonic anhydrase inhibitors: inhibition of theß-class enzyme from the pathogenic yeast Candida glabrata with sulfonamides, sulfamates and sulfamides. | Bioorg Med Chem Lett 23: 2647-52 (2013) | Universit£ degli Studi di Firenze | 2D 3D TSV |
23511019 | 60 | Design, synthesis and evaluation of flavonoid derivatives as potential multifunctional acetylcholinesterase inhibitors against Alzheimer's disease. | Bioorg Med Chem Lett 23: 2636-41 (2013) | China Pharmaceutical University | 2D 3D TSV |
23510563 | 9 | Synthesis and structure-activity relationships of carboxylic acid derivatives of pyridoxal as P2X receptor antagonists. | Bioorg Med Chem 21: 2643-50 (2013) | Gwangju Institute of Science and Technology | 2D 3D TSV |
23510562 | 30 | Novel indoline-2,3-dione derivatives as inhibitors of aminopeptidase N (APN). | Bioorg Med Chem 21: 2663-70 (2013) | Shandong University | 2D 3D TSV |
23509991 | 23 | Development of a plate-based optical biosensor fragment screening methodology to identify phosphodiesterase 10A inhibitors. | J Med Chem 56: 3228-34 (2013) | AstraZeneca | 2D 3D TSV |
23509904 | 2 | Structure-based design of ?-site APP cleaving enzyme 1 (BACE1) inhibitors for the treatment of Alzheimer's disease. | J Med Chem 56: 4156-80 (2013) | Vitae Pharmaceuticals | 2D 3D TSV |
23509611 | 3 | Synthesis and evaluation of stable substrate analogs as potential modulators of cyclodiphosphate synthase IspF. | Medchemcomm 4: 130-134 (2013) | The Johns Hopkins University School of Medicine | 2D 3D TSV |
23507153 | 4 | Radiosynthesis and first evaluation in mice of [(18)F]NS14490 for molecular imaging ofa7 nicotinic acetylcholine receptors. | Bioorg Med Chem 21: 2635-42 (2013) | Helmholtz-Zentrum Dresden-Rossendorf | 2D 3D TSV |
23507151 | 118 | Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1. | Bioorg Med Chem 21: 2600-17 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23506825 | 71 | Structure-based design, SAR analysis and antitumor activity of PI3K/mTOR dual inhibitors from 4-methylpyridopyrimidinone series. | Bioorg Med Chem Lett 23: 2787-92 (2013) | Pfizer Inc | 2D 3D TSV |
23502212 | 53 | Molecular determinants for nuclear receptors selectivity: chemometric analysis, dockings and site-directed mutagenesis of dual peroxisome proliferator-activated receptors ?/? agonists. | Eur J Med Chem 63: 321-32 (2013) | Universit£ degli studi di Bari 'Aldo Moro' | 2D 3D TSV |
23501116 | 118 | Natural sesquiterpene lactones as inhibitors of Myb-dependent gene expression: structure-activity relationships. | Eur J Med Chem 63: 313-20 (2013) | University of M£nster | 2D 3D TSV |
23501115 | 62 | Synthesis and evaluation of 7,8-dehydrorutaecarpine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. | Eur J Med Chem 63: 299-312 (2013) | Sun Yat-sen University | 2D 3D TSV |
23501112 | 160 | Novel IKKß inhibitors discovery based on the co-crystal structure by using binding-conformation-based and ligand-based method. | Eur J Med Chem 63: 269-78 (2013) | China Pharmaceutical University | 2D 3D TSV |
23499504 | 31 | New potent calcimimetics: II. Discovery of benzothiazole trisubstituted ureas. | Bioorg Med Chem Lett 23: 2455-9 (2013) | Galapagos SASU | 2D 3D TSV |
23499503 | 9 | Identification of pyrrolo[2,3-g]indazoles as new Pim kinase inhibitors. | Bioorg Med Chem Lett 23: 2298-301 (2013) | Clermont Universit£ | 2D 3D TSV |
23499238 | 15 | Design, synthesis and insulin-sensitising effects of novel PTP1B inhibitors. | Bioorg Med Chem Lett 23: 2313-8 (2013) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
23499237 | 25 | Exploring the UDP pocket of LpxC through amino acid analogs. | Bioorg Med Chem Lett 23: 2362-7 (2013) | AstraZeneca | 2D 3D TSV |
23498919 | 7 | Development of cyclic peptomer inhibitors targeting the polo-box domain of polo-like kinase 1. | Bioorg Med Chem 21: 2623-34 (2013) | Korea Basic Science Institute | 2D 3D TSV |
23498918 | 41 | Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor. | Bioorg Med Chem 21: 2333-45 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23498916 | 4 | VBP15: preclinical characterization of a novel anti-inflammatory delta 9,11 steroid. | Bioorg Med Chem 21: 2241-9 (2013) | ReveraGen BioPharma, Inc. | 2D 3D TSV |
23498915 | 47 | Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties. | Bioorg Med Chem 21: 2587-99 (2013) | St. Jude Children's Research Hospital | 2D 3D TSV |
23498914 | 32 | Syntheses and biological evaluation of 1-heteroaryl-2-aryl-1H-benzimidazole derivatives as c-Jun N-terminal kinase inhibitors with neuroprotective effects. | Bioorg Med Chem 21: 2271-85 (2013) | Hanyang University | 2D 3D TSV |
23496828 | 7 | Novel Inhibitor Binding Site Discovery on HIV-1 Capsid N-Terminal Domain by NMR and X-ray Crystallography. | ACS Chem Biol 8: 1074-82 (2013) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
23493449 | 8 | Development of | ACS Med Chem Lett 4: 235-238 (2013) | Shandong University | 2D 3D TSV |
23490159 | 13 | Novel 1,3,4-oxadiazole thioether derivatives targeting thymidylate synthase as dual anticancer/antimicrobial agents. | Bioorg Med Chem 21: 2286-97 (2013) | Nanjing University | 2D 3D TSV |
23490155 | 13 | Design and synthesis of a series of ?-benzyl phenylpropanoic acid-type peroxisome proliferator-activated receptor (PPAR) gamma partial agonists with improved aqueous solubility. | Bioorg Med Chem 21: 2319-2332 (2013) | Okayama University | 2D 3D TSV |
23490154 | 2 | Synthesis of novel cognition enhancers with pyrazolo[5,1-c][1,2,4]benzotriazine core acting at¿-aminobutyric acid type A (GABA(A)) receptor. | Bioorg Med Chem 21: 2186-98 (2013) | Sintesi e Studio di Eterocicli Biologicamente attivi (HeteroBioLab) Universit£ degli Studi di Firenze | 2D 3D TSV |
23490152 | 15 | Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition. | Bioorg Med Chem 21: 2314-8 (2013) | University of Florida | 2D 3D TSV |
23490150 | 48 | Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors. | Bioorg Med Chem 21: 2250-61 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23489633 | 45 | Exploration of the structure-activity relationship of a novel tetracyclic class of TSPO ligands-potential novel positron emitting tomography imaging agents. | Bioorg Med Chem Lett 23: 2368-72 (2013) | GE Healthcare | 2D 3D TSV |
23489630 | 8 | Synthesis and biological activity of 4-substituted benzoxazolone derivatives as a new class of sEH inhibitors with high anti-inflammatory activity in vivo. | Bioorg Med Chem Lett 23: 2380-3 (2013) | Shanxi Medical University | 2D 3D TSV |
23489629 | 19 | N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11ß-hydroxysteroid dehydrogenase type 1: strategies to eliminate reactive metabolites. | Bioorg Med Chem Lett 23: 2344-8 (2013) | Pfizer Inc | 2D 3D TSV |
23489628 | 6 | Identification and synthesis of N-(thiophen-2-yl) benzamide derivatives as BRAF(V600E) inhibitors. | Bioorg Med Chem Lett 23: 2306-12 (2013) | Central South University | 2D 3D TSV |
23489620 | 8 | Synthesis and evaluation of cholecystokinin trimers: a multivalent approach to pancreatic cancer detection and treatment. | Bioorg Med Chem Lett 23: 2422-5 (2013) | Universit£ P et M Curie | 2D 3D TSV |
23489619 | 1 | Disulfide linked pyrazole derivatives inhibit phagocytosis of opsonized blood cells. | Bioorg Med Chem Lett 23: 2324-7 (2013) | Toronto General Research Institute | 2D 3D TSV |
23489211 | 44 | Amino acid conjugates of lithocholic acid as antagonists of the EphA2 receptor. | J Med Chem 56: 2936-47 (2013) | Universit£ degli Studi di Parma | 2D 3D TSV |
23488743 | 30 | Synthesis and dual D2 and 5-HT1A receptor binding affinities of 5-piperidinyl and 5-piperazinyl-1H-benzo[d]imidazol-2(3H)-ones. | J Enzyme Inhib Med Chem 29: 281-91 (2014) | King Fahd University of Petroleum & Minerals | 2D 3D TSV |
23488741 | 20 | Novel coumarins and benzocoumarins acting as isoform-selective inhibitors against the tumor-associated carbonic anhydrase IX. | J Enzyme Inhib Med Chem 29: 292-6 (2014) | S.G.S.I.T.S. | 2D 3D TSV |
23488740 | 12 | Novel inhibitor of bacterial sphingomyelinase, SMY-540, developed based on three-dimensional structure analysis. | J Enzyme Inhib Med Chem 29: 303-10 (2014) | Tokushima Bunri University | 2D 3D TSV |
23484537 | 2 | Paclitaxel is an inhibitor and its boron dipyrromethene derivative is a fluorescent recognition agent for botulinum neurotoxin subtype A. | J Med Chem 56: 2791-803 (2013) | Lakehead University and Thunder Bay Regional Research Institute | 2D 3D TSV |
23484434 | 11 | Progress and developments in tau aggregation inhibitors for Alzheimer disease. | J Med Chem 56: 4135-55 (2013) | Humboldt Universit£t zu Berlin | 2D 3D TSV |
23481650 | 78 | N-substituted azaindoles as potent inhibitors of Cdc7 kinase. | Bioorg Med Chem Lett 23: 2056-60 (2013) | Amgen Inc | 2D 3D TSV |
23481647 | 9 | Design, synthesis and biological evaluation of novel imidazo[4,5-c]pyridinecarboxamide derivatives as PARP-1 inhibitors. | Bioorg Med Chem Lett 23: 1993-6 (2013) | China Pharmaceutical University | 2D 3D TSV |
23481643 | 1 | Novel tacrine-related drugs as potential candidates for the treatment of Alzheimer's disease. | Bioorg Med Chem Lett 23: 1916-22 (2013) | Complutense University of Madrid | 2D 3D TSV |
23480856 | 22 | Phenylimino-2H-chromen-3-carboxamide derivatives as novel small molecule inhibitors ofß-secretase (BACE1). | Bioorg Med Chem 21: 2396-412 (2013) | Tehran University of Medical Sciences | 2D 3D TSV |
23480235 | 20 | N-[9-(ortho-fluorobenzyl)-2-phenyl-8-azapurin-6-yl]-amides as potent and selective ligands for A1 adenosine receptors. | Chem Biol Drug Des 82: 22-38 (2013) | Universit£ di Pisa | 2D 3D TSV |
23478148 | 10 | Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor. | Bioorg Med Chem Lett 23: 2432-5 (2013) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
23478147 | 42 | Discovery of SAR184841, a potent and long-lasting inhibitor of 11ß-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D. | Bioorg Med Chem Lett 23: 2414-21 (2013) | Sanofi R & D | 2D 3D TSV |
23477945 | 3 | Discovery of thienopyrimidine-based inhibitors of the human farnesyl pyrophosphate synthase--parallel synthesis of analogs via a trimethylsilyl ylidene intermediate. | Bioorg Med Chem 21: 2229-40 (2013) | McGill University | 2D 3D TSV |
23477943 | 51 | Discovery of disubstituted piperidines and homopiperidines as potent dual NK1 receptor antagonists-serotonin reuptake transporter inhibitors for the treatment of depression. | Bioorg Med Chem 21: 2217-28 (2013) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23477941 | 1 | Synthesis and evaluation of an imidazole derivative-fluorescein conjugate. | Bioorg Med Chem 21: 2418-25 (2013) | University of Texas at Houston | 2D 3D TSV |
23477419 | 64 | Design, synthesis, and pharmacological characterization of novel endomorphin-1 analogues as extremely potentµ-opioid agonists. | J Med Chem 56: 3102-14 (2013) | Lanzhou University | 2D 3D TSV |
23477365 | 63 | The development of highly potent inhibitors for porcupine. | J Med Chem 56: 2700-4 (2013) | The University of Texas Southwestern Medical Center | 2D 3D TSV |
23474901 | 12 | Novel (coumarin-3-yl)carbamates as selective MAO-B inhibitors: synthesis, in vitro and in vivo assays, theoretical evaluation of ADME properties and docking study. | Eur J Med Chem 63: 151-61 (2013) | University of Santiago de Compostela | 2D 3D TSV |
23474898 | 161 | Biaryl tetrazolyl ureas as inhibitors of endocannabinoid metabolism: modulation at the N-portion and distal phenyl ring. | Eur J Med Chem 63: 118-32 (2013) | Sapienza University of Rome | 2D 3D TSV |
23474389 | 2 | Synthesis and evaluation of 3-(benzylthio)-5-(1H-indol-3-yl)-1,2,4-triazol-4-amines as Bcl-2 inhibitory anticancer agents. | Bioorg Med Chem Lett 23: 2391-4 (2013) | Cardiff University | 2D 3D TSV |
23474388 | 30 | Optimization of allosteric MEK inhibitors. Part 1: Venturing into underexplored SAR territories. | Bioorg Med Chem Lett 23: 2384-90 (2013) | Bayer HealthCare AG | 2D 3D TSV |
23474386 | 26 | Novel 5-(benzyloxy)pyridin-2(1H)-one derivatives as potent c-Met inhibitors. | Bioorg Med Chem Lett 23: 2408-13 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23474215 | 12 | 26- and 27-Methyl groups of 2-substituted, 19-nor-1a,25-dihydroxylated vitamin D compounds are essential for calcium mobilization in vivo. | Bioorg Chem 47: 9-16 (2013) | University of Wisconsin-Madison | 2D 3D TSV |
23473947 | 28 | Synthesis, cyclooxygenase inhibitory effects, and molecular modeling study of 4-aryl-5-(4-(methylsulfonyl)phenyl)-2-alkylthio and -2-alkylsulfonyl-1H-imidazole derivatives. | Bioorg Med Chem 21: 2355-62 (2013) | Tehran University of Medical Sciences | 2D 3D TSV |
23473945 | 77 | Structure-activity relationship study of tachykinin peptides for the development of novel neurokinin-3 receptor selective agonists. | Bioorg Med Chem 21: 2413-7 (2013) | Kyoto University | 2D 3D TSV |
23473682 | 69 | BCR-ABL tyrosine kinase inhibitor pharmacophore model derived from a series of phenylaminopyrimidine-based (PAP) derivatives. | Bioorg Med Chem Lett 23: 2442-50 (2013) | The First People's Hospital of Hangzhou | 2D 3D TSV |
23473363 | 12 | Structural basis and SAR for G007-LK, a lead stage 1,2,4-triazole based specific tankyrase 1/2 inhibitor. | J Med Chem 56: 3012-23 (2013) | Oslo University Hospital | 2D 3D TSV |
23473309 | 45 | Strategies to reduce HERG K+ channel blockade. Exploring heteroaromaticity and rigidity in novel pyridine analogues of dofetilide. | J Med Chem 56: 2828-40 (2013) | Leiden University | 2D 3D TSV |
23473235 | 21 | Pyrimidoaminotropanes as potent, selective, and efficacious small molecule kinase inhibitors of the mammalian target of rapamycin (mTOR). | J Med Chem 56: 3090-101 (2013) | Genentech | 2D 3D TSV |
23473072 | 18 | The impact of introducing a histidine into an apolar cavity site on docking and ligand recognition. | J Med Chem 56: 2874-84 (2013) | University of California San Francisco | 2D 3D TSV |
23473053 | 35 | Design, synthesis, and biological evaluation of a series of benzo[de][1,7]naphthyridin-7(8H)-ones bearing a functionalized longer chain appendage as novel PARP1 inhibitors. | J Med Chem 56: 2885-903 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23472952 | 35 | Discovery of (R)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic acid and congeners as highly potent inhibitors of human arginases I and II for treatment of myocardial reperfusion injury. | J Med Chem 56: 2568-80 (2013) | Institutes for Pharmaceutical Discovery , LLC | 2D 3D TSV |
23472886 | 21 | Design, synthesis, and biological evaluation of indenoisoquinoline rexinoids with chemopreventive potential. | J Med Chem 56: 2581-605 (2013) | Purdue University | 2D 3D TSV |
23471898 | 16 | In search of new herbicidal inhibitors of the non-mevalonate pathway. | Pest Manag Sci 69: 559-63 (2013) | BASF-SE | 2D 3D TSV |
23470245 | 11 | Design and synthesis of new bifunctional sigma-1 selective ligands with antioxidant activity. | J Med Chem 56: 2447-55 (2013) | University of Catania | 2D 3D TSV |
23470217 | 1 | Optimizing small molecule inhibitors of calcium-dependent protein kinase 1 to prevent infection by Toxoplasma gondii. | J Med Chem 56: 3068-77 (2013) | Washington University | 2D 3D TSV |
23470190 | 3 | Development and evaluation of novel phosphotyrosine mimetic inhibitors targeting the Src homology 2 domain of signaling lymphocytic activation molecule (SLAM) associated protein. | J Med Chem 56: 2841-9 (2013) | National Taiwan University | 2D 3D TSV |
23466605 | 36 | Discovery of novel 2,6-disubstituted pyridazinone derivatives as acetylcholinesterase inhibitors. | Eur J Med Chem 63: 95-103 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23466604 | 36 | Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused pyrrolidone scaffolds. | Eur J Med Chem 63: 85-94 (2013) | Universit£ degli Studi di Siena | 2D 3D TSV |
23466235 | 5 | Discovery of non-peptide inhibitors of Plasmepsin II by structure-based virtual screening. | Bioorg Med Chem Lett 23: 2078-82 (2013) | East China University of Science and Technology | 2D 3D TSV |
23466233 | 20 | Synthesis and evaluation of non-dimeric HCV NS5A inhibitors. | Bioorg Med Chem Lett 23: 2031-4 (2013) | Veterans Affairs Medical Center | 2D 3D TSV |
23466232 | 48 | A new series of N2-substituted-5-(p-toluenesulfonylamino)phthalimide analogues asa-glucosidase inhibitors. | Bioorg Med Chem Lett 23: 2022-6 (2013) | Xi'an Jiaotong University | 2D 3D TSV |
23466230 | 1 | Design, synthesis and antithrombotic evaluation of novel dabigatran prodrugs containing methyl ferulate. | Bioorg Med Chem Lett 23: 2089-92 (2013) | China Pharmaceutical University | 2D 3D TSV |
23466229 | 18 | PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency. | Bioorg Med Chem Lett 23: 1961-6 (2013) | Pfizer Inc | 2D 3D TSV |
23466228 | 6 | [11C]olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand. | Bioorg Med Chem Lett 23: 1953-6 (2013) | Indiana University School of Medicine | 2D 3D TSV |
23466226 | 26 | Evaluation of (Z)-2-((1-benzyl-1H-indol-3-yl)methylene)-quinuclidin-3-one analogues as novel, high affinity ligands for CB1 and CB2 cannabinoid receptors. | Bioorg Med Chem Lett 23: 2019-21 (2013) | University of Arkansas for Medical Sciences | 2D 3D TSV |
23466225 | 2 | Discovery of AZD3514, a small-molecule androgen receptor downregulator for treatment of advanced prostate cancer. | Bioorg Med Chem Lett 23: 1945-8 (2013) | AstraZeneca | 2D 3D TSV |
23465801 | 45 | Improving the inhibitory activity of arylidenaminoguanidine compounds at the N-methyl-D-aspartate receptor complex from a recursive computational-experimental structure-activity relationship study. | Bioorg Med Chem 21: 1764-74 (2013) | University of Kentucky | 2D 3D TSV |
23465612 | 17 | Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates. | Bioorg Med Chem Lett 23: 2181-6 (2013) | Elan Pharmaceuticals | 2D 3D TSV |
23465611 | 61 | New potent calcimimetics: I. Discovery of a series of novel trisubstituted ureas. | Bioorg Med Chem Lett 23: 2451-4 (2013) | Galapagos SASU | 2D 3D TSV |
23465610 | 16 | Potential CRF1R PET imaging agents: 1-fluoroalkylsubstituted 5-halo-3-(arylamino)pyrazin-2(1H)-ones. | Bioorg Med Chem Lett 23: 2052-5 (2013) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
23463940 | 4 | Synthesis and evaluation of 18F-labeled carbonic anhydrase IX inhibitors for imaging with positron emission tomography. | J Enzyme Inhib Med Chem 29: 249-55 (2014) | BC Cancer Agency | 2D 3D TSV |
23462716 | 49 | Synthesis and in vitro evaluation of new derivatives of 2-substituted-6-fluorobenzo[d]thiazoles as cholinesterase inhibitors. | Bioorg Med Chem 21: 1735-48 (2013) | University of Pardubice | 2D 3D TSV |
23462715 | 25 | Development of silicon-containing bis-phenol derivatives as androgen receptor antagonists: selectivity switching by C/Si exchange. | Bioorg Med Chem 21: 1643-51 (2013) | The University of Tokyo | 2D 3D TSV |
23462714 | 32 | Improvement ofs1 receptor affinity by late-stage C-H-bond arylation of spirocyclic lactones. | Bioorg Med Chem 21: 1844-56 (2013) | Wilhelms-Universit£t M£nster | 2D 3D TSV |
23462713 | 20 | Design, structure-activity relationship and in vivo efficacy of piperazine analogues of fenarimol as inhibitors of Trypanosoma cruzi. | Bioorg Med Chem 21: 1756-63 (2013) | Epichem Pty Ltd | 2D 3D TSV |
23461881 | 12 | Microwave-assisted synthesis and tyrosinase inhibitory activity of chalcone derivatives. | Chem Biol Drug Des 82: 39-47 (2013) | Shaoyang University | 2D 3D TSV |
23461628 | 9 | (+)-Laburnamine, a natural selective ligand and partial agonist for the?4?2 nicotinic receptor subtype. | J Nat Prod 76: 727-31 (2013) | Universit£ degli Studi di Genova | 2D 3D TSV |
23458846 | 16 | Target- and mechanism-based therapeutics for neurodegenerative diseases: strength in numbers. | J Med Chem 56: 3121-47 (2013) | Northwestern University | 2D 3D TSV |
23458498 | 24 | Synthesis and preliminary evaluation in tumor bearing mice of new (18)F-labeled arylsulfone matrix metalloproteinase inhibitors as tracers for positron emission tomography. | J Med Chem 56: 2676-89 (2013) | Universit£ del Piemonte Orientale"Amedeo Avogadro" | 2D 3D TSV |
23455058 | 84 | (4-Phenoxyphenyl)tetrazolecarboxamides and related compounds as dual inhibitors of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL). | Eur J Med Chem 63: 64-75 (2013) | University of M£nster | 2D 3D TSV |
23455027 | 5 | Fungal transformation of cedryl acetate anda-glucosidase inhibition assay, quantum mechanical calculations and molecular docking studies of its metabolites. | Eur J Med Chem 62: 764-70 (2013) | University of Karachi | 2D 3D TSV |
23455026 | 2 | Structure-based drug design using GPCR homology modeling: toward the discovery of novel selective CysLT2 antagonists. | Eur J Med Chem 62: 754-63 (2013) | Zhejiang University | 2D 3D TSV |
23454532 | 25 | Nonclassical antifolates, part 3: synthesis, biological evaluation and molecular modeling study of some new 2-heteroarylthio-quinazolin-4-ones. | Eur J Med Chem 63: 33-45 (2013) | King Saud University | 2D 3D TSV |
23454529 | 3 | New quinazoline derivatives for telomeric G-quadruplex DNA: effects of an added phenyl group on quadruplex binding ability. | Eur J Med Chem 63: 1-13 (2013) | Sun Yat-sen University | 2D 3D TSV |
23454517 | 56 | A novel series of tacrine-selegiline hybrids with cholinesterase and monoamine oxidase inhibition activities for the treatment of Alzheimer's disease. | Eur J Med Chem 62: 745-53 (2013) | Sun Yat-sen University | 2D 3D TSV |
23454516 | 92 | Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3. | Eur J Med Chem 62: 738-44 (2013) | University of Auckland | 2D 3D TSV |
23454515 | 66 | Chemical synthesis and biological validation of immobilized protein kinase inhibitory Leucettines. | Eur J Med Chem 62: 728-37 (2013) | Universit£ de Rennes1 | 2D 3D TSV |
23454514 | 20 | Synthesis, evaluation and absolute configuration assignment of novel dihydropyrimidin-2-ones as picomolar sodium iodide symporter inhibitors. | Eur J Med Chem 62: 722-7 (2013) | Institut de Biologie et de Technologies de Saclay (iBiTecS) | 2D 3D TSV |
23454132 | 68 | Synthesis and discovery of novel piperidone-grafted mono- and bis-spirooxindole-hexahydropyrrolizines as potent cholinesterase inhibitors. | Bioorg Med Chem 21: 1696-707 (2013) | Universiti Sains Malaysia | 2D 3D TSV |
23454131 | 27 | Synthesis and evaluation of quinazoline derivatives as phosphodiesterase 7 inhibitors. | Bioorg Med Chem 21: 2370-2378 (2013) | Universidad de Alcala | 2D 3D TSV |
23454015 | 54 | Triazolopyridazine LRRK2 kinase inhibitors. | Bioorg Med Chem Lett 23: 1967-73 (2013) | Elan Pharmaceuticals | 2D 3D TSV |
23453843 | 84 | Design, synthesis, and molecular modelling of pyridazinone and phthalazinone derivatives as protein kinases inhibitors. | Bioorg Med Chem Lett 23: 2007-13 (2013) | University of Strasburg | 2D 3D TSV |
23453841 | 58 | Deconstruction of sulfonamide inhibitors of the urotensin receptor (UT) and design and synthesis of benzylamine and benzylsulfone antagonists. | Bioorg Med Chem Lett 23: 2177-80 (2013) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
23453840 | 32 | 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors. | Bioorg Med Chem Lett 23: 2027-30 (2013) | Institutes for Pharmaceutical Discovery , LLC | 2D 3D TSV |
23453838 | 18 | Synthesis and anti-acetylcholinesterase properties of novel ?- and ?-substituted alkoxy organophosphonates. | Bioorg Med Chem Lett 23: 2048-51 (2013) | The University of Montana | 2D 3D TSV |
23453219 | 29 | Novel leucine ureido derivatives as inhibitors of aminopeptidase N (APN). | Bioorg Med Chem 21: 1621-7 (2013) | Shandong University | 2D 3D TSV |
23453070 | 42 | A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors. | Bioorg Med Chem Lett 23: 2106-10 (2013) | Asahi Kasei Pharma Corporation | 2D 3D TSV |
23453069 | 7 | Design, synthesis, and biological activity of diaryl ether inhibitors of Toxoplasma gondii enoyl reductase. | Bioorg Med Chem Lett 23: 2035-43 (2013) | University of Illinois at Chicago | 2D 3D TSV |
23453068 | 25 | Discovery of 4-alkylamino-7-aryl-3-cyanoquinoline LRRK2 kinase inhibitors. | Bioorg Med Chem Lett 23: 1974-7 (2013) | Elan Pharmaceuticals | 2D 3D TSV |
23452331 | 6 | On dihydroorotate dehydrogenases and their inhibitors and uses. | J Med Chem 56: 3148-67 (2013) | Institut Pasteur | 2D 3D TSV |
23451760 | 18 | Structure-guided design of selective inhibitors of neuronal nitric oxide synthase. | J Med Chem 56: 3024-32 (2013) | Northwestern University | 2D 3D TSV |
23451707 | 23 | Discovery of allosteric modulators of factor XIa by targeting hydrophobic domains adjacent to its heparin-binding site. | J Med Chem 56: 2415-28 (2013) | Virginia Commonwealth University | 2D 3D TSV |
23448346 | 26 | Synthesis of novel estrogen receptor antagonists using metal-catalyzed coupling reactions and characterization of their biological activity. | J Med Chem 56: 2779-90 (2013) | University of Kansas Medical Center | 2D 3D TSV |
23448298 | 58 | A potent and highly efficacious Bcl-2/Bcl-xL inhibitor. | J Med Chem 56: 3048-67 (2013) | University of Michigan | 2D 3D TSV |
23448281 | 4 | Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity. | J Med Chem 56: 2513-26 (2013) | The University of Queensland | 2D 3D TSV |
23448267 | 17 | Selective 3-phosphoinositide-dependent kinase 1 (PDK1) inhibitors: dissecting the function and pharmacology of PDK1. | J Med Chem 56: 2726-37 (2013) | GlaxoSmithKline | 2D 3D TSV |
23445471 | 82 | Fragment-based discovery of 8-hydroxyquinoline inhibitors of the HIV-1 integrase-lens epithelium-derived growth factor/p75 (IN-LEDGF/p75) interaction. | J Med Chem 56: 2311-22 (2013) | University of Southern California | 2D 3D TSV |
23445448 | 33 | Development of dual PLD1/2 and PLD2 selective inhibitors from a common 1,3,8-Triazaspiro[4.5]decane Core: discovery of Ml298 and Ml299 that decrease invasive migration in U87-MG glioblastoma cells. | J Med Chem 56: 2695-9 (2013) | Vanderbilt University Medical Center | 2D 3D TSV |
23445220 | 50 | Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors. | J Med Chem 56: 2110-24 (2013) | University of North Carolina at Chapel Hill | 2D 3D TSV |
23442188 | 4 | A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling. | J Med Chem 56: 2619-29 (2013) | Graduate School of Peking Union Medical College and Chinese Academy of Medical Sciences | 2D 3D TSV |
23441572 | 55 | Rapid discovery of a novel series of Abl kinase inhibitors by application of an integrated microfluidic synthesis and screening platform. | J Med Chem 56: 3033-47 (2013) | Cyclofluidic Ltd | 2D 3D TSV |
23438330 | 174 | Orvinols with mixed kappa/mu opioid receptor agonist activity. | J Med Chem 56: 3207-16 (2013) | University of Bath | 2D 3D TSV |
23437843 | 30 | Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6'-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors. | J Med Chem 56: 2651-64 (2013) | Universit£ degli Studi di Bari"Aldo Moro" | 2D 3D TSV |
23437776 | 37 | Optimization of peptide hydroxamate inhibitors of insulin-degrading enzyme reveals marked substrate-selectivity. | J Med Chem 56: 2246-55 (2013) | Mayo Clinic | 2D 3D TSV |
23437772 | 35 | Colloidal aggregation causes inhibition of G protein-coupled receptors. | J Med Chem 56: 2406-14 (2013) | University of North Carolina at Chapel Hill | 2D 3D TSV |
23434638 | 2 | Rational design and synthesis of 4-substituted 2-pyridin-2-ylamides with inhibitory effects on SH2 domain-containing inositol 5'-phosphatase 2 (SHIP2). | Eur J Med Chem 62: 649-60 (2013) | University of Toyama | 2D 3D TSV |
23434637 | 10 | Synthesis and SAR study of modulators inhibiting tRXRa-dependent AKT activation. | Eur J Med Chem 62: 632-48 (2013) | Xiamen University | 2D 3D TSV |
23434636 | 25 | Advances in the discovery of kinesin spindle protein (Eg5) inhibitors as antitumor agents. | Eur J Med Chem 62: 614-31 (2013) | Cairo University | 2D 3D TSV |
23434422 | 2 | Euryspongins A-C, three new unique sesquiterpenes from a marine sponge Euryspongia sp. | Bioorg Med Chem Lett 23: 2151-4 (2013) | Tohoku Pharmaceutical University | 2D 3D TSV |
23434419 | 13 | Improved guanide compounds which bind the CXCR4 co-receptor and inhibit HIV-1 infection. | Bioorg Med Chem Lett 23: 2197-201 (2013) | Montana State University | 2D 3D TSV |
23434414 | 50 | Synthesis, structure-activity relationship studies, and identification of novel 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine derivatives as dual orexin receptor antagonists. Part 1. | Bioorg Med Chem Lett 23: 2212-6 (2013) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
23434226 | 4 | Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening. | Bioorg Med Chem Lett 23: 2225-9 (2013) | Fudan University | 2D 3D TSV |
23434225 | 37 | Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 9: Synthesis, characterization and molecular modeling of pyridinyl isosteres of N-BPE-8-CAC (1), a high affinity ligand for opioid receptors. | Bioorg Med Chem Lett 23: 2128-33 (2013) | Rensselaer Polytechnic Institute | 2D 3D TSV |
23434223 | 21 | A one-pot domino synthesis and discovery of highly functionalized dihydrobenzo[b]thiophenes as AChE inhibitors. | Bioorg Med Chem Lett 23: 2101-5 (2013) | Madurai Kamaraj University | 2D 3D TSV |
23434140 | 35 | Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors: Molecular docking simulation and structure-activity relationship analysis. | Bioorg Med Chem 21: 1724-34 (2013) | East China University of Science and Technology | 2D 3D TSV |
23434139 | 47 | Synthesis and biological activity of 5-chloro-N4-substituted phenyl-9H-pyrimido[4,5-b]indole-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic agents. | Bioorg Med Chem 21: 1857-64 (2013) | Duquesne University | 2D 3D TSV |
23434135 | 27 | Novel antiobesity agents: synthesis and pharmacological evaluation of analogues of Rimonabant and of LH21. | Bioorg Med Chem 21: 1708-16 (2013) | Instituto de Qu£mica M£dica | 2D 3D TSV |
23434133 | 18 | Discovery of potent dipeptidyl peptidase IV inhibitors through pharmacophore hybridization and hit-to-lead optimization. | Bioorg Med Chem 21: 1749-55 (2013) | Chinese Academy of Science | 2D 3D TSV |
23434131 | 26 | Semisynthetic studies identify mitochondria poisons from botanical dietary supplements--geranyloxycoumarins from Aegle marmelos. | Bioorg Med Chem 21: 1795-803 (2013) | University of Mississippi | 2D 3D TSV |
23434031 | 51 | Design, synthesis and SAR of novel glucokinase activators. | Bioorg Med Chem Lett 23: 2166-71 (2013) | Takeda California Inc | 2D 3D TSV |
23434029 | 55 | Discovery of biological evaluation of pyrazole/imidazole amides as mGlu5 receptor negative allosteric modulators. | Bioorg Med Chem Lett 23: 2134-9 (2013) | SK Biopharmaceuticals | 2D 3D TSV |
23433670 | 15 | Bromo-deaza-SAH: a potent and selective DOT1L inhibitor. | Bioorg Med Chem 21: 1787-94 (2013) | EntreMed Inc. | 2D 3D TSV |
23433668 | 11 | Novel inhibitors of bacterial virulence: development of 5,6-dihydrobenzo[h]quinazolin-4(3H)-ones for the inhibition of group A streptococcal streptokinase expression. | Bioorg Med Chem 21: 1880-97 (2013) | University of Michigan | 2D 3D TSV |
23433667 | 8 | Stereoselective synthesis of a new class of potent and selective inhibitors of human¿8,7-sterol isomerase. | Bioorg Med Chem 21: 1925-43 (2013) | Ludwig-Maximilians University | 2D 3D TSV |
23432612 | 20 | Cytotoxicity and topoisomerase I/II inhibition activity of novel 4-aryl/alkyl-1-(piperidin-4-yl)-carbonylthiosemicarbazides and 4-benzoylthiosemicarbazides. | J Enzyme Inhib Med Chem 29: 243-8 (2014) | Medical University | 2D 3D TSV |
23432160 | 78 | Structure-activity relationships of peptides incorporating a bioactive reverse-turn heterocycle at the melanocortin receptors: identification of a 5800-fold mouse melanocortin-3 receptor (mMC3R) selective antagonist/partial agonist versus the mouse melanocortin-4 receptor (mMC4R). | J Med Chem 56: 2747-63 (2013) | University of Florida | 2D 3D TSV |
23432124 | 2 | Studies on an (S)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid (AMPA) receptor antagonist IKM-159: asymmetric synthesis, neuroactivity, and structural characterization. | J Med Chem 56: 2283-93 (2013) | Yokohama City University | 2D 3D TSV |
23432095 | 160 | Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17ß-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer. | J Med Chem 56: 2429-46 (2013) | Vanderbilt University School of Medicine | 2D 3D TSV |
23429054 | 48 | Optimization of heterocyclic substituted benzenesulfonamides as novel carbonic anhydrase IX inhibitors and their structure activity relationship. | Eur J Med Chem 62: 597-604 (2013) | East China University of Science and Technology | 2D 3D TSV |
23428965 | 20 | Discovery of dopamine D4 receptor antagonists with planar chirality. | Bioorg Med Chem 21: 1680-4 (2013) | Friedrich-Alexander University | 2D 3D TSV |
23428964 | 9 | Selective aminopeptidase-N (CD13) inhibitors with relevance to cancer chemotherapy. | Bioorg Med Chem 21: 2135-44 (2013) | Universit£ de Haute Alsace | 2D 3D TSV |
23428155 | 4 | Solubility-driven optimization of (pyridin-3-yl) benzoxazinyl-oxazolidinones leading to a promising antibacterial agent. | J Med Chem 56: 2642-50 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23428109 | 19 | Evaluation of difluoromethyl ketones as agonists of the¿-aminobutyric acid type B (GABAB) receptor. | J Med Chem 56: 2456-65 (2013) | Purdue University | 2D 3D TSV |
23427825 | 45 | 2-Arylpyrazolo[4,3-d]pyrimidin-7-amino derivatives as new potent and selective human A3 adenosine receptor antagonists. Molecular modeling studies and pharmacological evaluation. | J Med Chem 56: 2256-69 (2013) | Universit£ di Firenze | 2D 3D TSV |
23425156 | 24 | The discovery of novel potent trans-3,4-disubstituted pyrrolidine inhibitors of the human aspartic protease renin from in silico three-dimensional (3D) pharmacophore searches. | J Med Chem 56: 2207-17 (2013) | Novartis Pharma AG | 2D 3D TSV |
23422935 | 29 | Synthesis of tacrine-lophine hybrids via one-pot four component reaction and biological evaluation as acetyl- and butyrylcholinesterase inhibitors. | Eur J Med Chem 62: 556-63 (2013) | Universidade Federal do Rio Grande do Sul | 2D 3D TSV |
23421555 | 11 | Farnesyl diphosphate synthase inhibitors from in silico screening. | Chem Biol Drug Des 81: 742-8 (2013) | University of California San Diego | 2D 3D TSV |
23421315 | 18 | Novel inhibitors of protein arginine deiminase with potential activity in multiple sclerosis animal model. | J Med Chem 56: 1715-22 (2013) | University Health Network | 2D 3D TSV |
23419736 | 58 | Synthesis of a novel series of 2-alkylthio substituted naphthoquinones as potent acyl-CoA: cholesterol acyltransferase (ACAT) inhibitors. | Eur J Med Chem 62: 515-25 (2013) | Dongguk University-Seoul | 2D 3D TSV |
23419026 | 40 | Opioid peptidomimetics: leads for the design of bioavailable mixed efficacyµ opioid receptor (MOR) agonist/d opioid receptor (DOR) antagonist ligands. | J Med Chem 56: 2139-49 (2013) | University of Michigan | 2D 3D TSV |
23419007 | 8 | Incorporation of rapid thermodynamic data in fragment-based drug discovery. | J Med Chem 56: 2155-9 (2013) | The University of Tokyo | 2D 3D TSV |
23416008 | 29 | 3D-QSAR studies of 1,2-diaryl-1H-benzimidazole derivatives as JNK3 inhibitors with protective effects in neuronal cells. | Bioorg Med Chem Lett 23: 1639-42 (2013) | Hanyang University | 2D 3D TSV |
23416006 | 28 | Substituted piperidinyl glycinyl 2-cyano-4,5-methano pyrrolidines as potent and stable dipeptidyl peptidase IV inhibitors. | Bioorg Med Chem Lett 23: 1622-5 (2013) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
23416003 | 52 | Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors. | Bioorg Med Chem Lett 23: 1604-7 (2013) | Bristol-Myers Squibb R & D | 2D 3D TSV |
23416002 | 126 | Amino acid derived quinazolines as Rock/PKA inhibitors. | Bioorg Med Chem Lett 23: 1592-9 (2013) | Translational Research Institute | 2D 3D TSV |
23416001 | 32 | Spirocyclic replacements for the isatin in the highly selective, muscarinic M1 PAM ML137: the continued optimization of an MLPCN probe molecule. | Bioorg Med Chem Lett 23: 1860-4 (2013) | Vanderbilt University Medical Center | 2D 3D TSV |
23415090 | 3 | Synthesis and biological evaluation of pyridazine derivatives as novel HIV-1 NNRTIs. | Bioorg Med Chem 21: 2128-34 (2013) | Shandong University | 2D 3D TSV |
23415088 | 4 | Novel imidazophenoxazine-4-sulfonamides: their synthesis and evaluation as potential inhibitors of PDE4. | Bioorg Med Chem 21: 1952-63 (2013) | Medicinal Chemistry Laboratory, Research Centre, CKM Arts and Science College, Warangal 506 006, Andhra Pradesh, India. | 2D 3D TSV |
23415087 | 44 | Hit identification of novel heparanase inhibitors by structure- and ligand-based approaches. | Bioorg Med Chem 21: 1944-51 (2013) | Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es | 2D 3D TSV |
23415084 | 22 | Synthesis and evaluation of coumarin derivatives as potential dual-action HIV-1 protease and reverse transcriptase inhibitors. | Bioorg Med Chem 21: 1964-71 (2013) | Rhodes University | 2D 3D TSV |
23415083 | 13 | Synthesis, characterization and Akt phosphorylation inhibitory activity of cyclopentanecarboxylate-substituted alkylphosphocholines. | Bioorg Med Chem 21: 2018-24 (2013) | Kyung Hee University | 2D 3D TSV |
23415062 | 13 | Investigation ofs receptors agonist/antagonist activity through N-(6-methoxytetralin-1-yl)- and N-(6-methoxynaphthalen-1-yl)alkyl derivatives of polymethylpiperidines. | Bioorg Med Chem 21: 1865-9 (2013) | Universit£ degli Studi di Bari Aldo Moro | 2D 3D TSV |
23414845 | 44 | Structure-based discovery of cellular-active allosteric inhibitors of FAK. | Bioorg Med Chem Lett 23: 1779-85 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23414842 | 16 | Spirocyclic compounds, potent CCR1 antagonists. | Bioorg Med Chem Lett 23: 1883-6 (2013) | AstraZeneca | 2D 3D TSV |
23414840 | 285 | Synthesis and evaluation of methylsulfonylnitrobenzamides (MSNBAs) as inhibitors of the thyroid hormone receptor-coactivator interaction. | Bioorg Med Chem Lett 23: 1891-5 (2013) | St. Jude Children's Research Hospital | 2D 3D TSV |
23414839 | 27 | 3D-QSAR and docking studies of pentacycloundecylamines at the sigma-1 (s1) receptor. | Bioorg Med Chem Lett 23: 1707-11 (2013) | Northeast Ohio Medical University | 2D 3D TSV |
23414838 | 33 | Discovery of a novel series of quinolonea7 nicotinic acetylcholine receptor agonists. | Bioorg Med Chem Lett 23: 1684-8 (2013) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
23414837 | 35 | Triazolo and imidazo dihydropyrazolopyrimidine potassium channel antagonists. | Bioorg Med Chem Lett 23: 1743-7 (2013) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23414807 | 70 | Anion inhibition studies of thea-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae. | Bioorg Med Chem Lett 23: 1636-8 (2013) | Universit£ degli Studi di Firenze | 2D 3D TSV |
23414803 | 9 | Use of core modification in the discovery of CC214-2, an orally available, selective inhibitor of mTOR kinase. | Bioorg Med Chem Lett 23: 1588-91 (2013) | Celgene Corporation | 2D 3D TSV |
23414802 | 41 | Discovery of novel 2-hydroxydiarylamide derivatives as TMPRSS4 inhibitors. | Bioorg Med Chem Lett 23: 1748-51 (2013) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
23414801 | 38 | Kinetic and anion inhibition studies of aß-carbonic anhydrase (FbiCA 1) from the C4 plant Flaveria bidentis. | Bioorg Med Chem Lett 23: 1626-30 (2013) | Istituto di Biostrutture e Bioimmagini | 2D 3D TSV |
23414800 | 47 | Discovery of novel 7-membered cyclic amide derivatives that inhibit 11beta-hydroxysteroid dehydrogenase type 1. | Bioorg Med Chem Lett 23: 1617-21 (2013) | Toray Industries Inc | 2D 3D TSV |
23414235 | 12 | Vegfrecine, an inhibitor of VEGF receptor tyrosine kinases isolated from the culture broth of Streptomyces sp. | J Nat Prod 76: 715-9 (2013) | Institute of Microbial Chemistry (BIKAKEN) | 2D 3D TSV |
23414143 | 58 | Psoralen derivatives as inhibitors of NF-¿B/DNA interaction: synthesis, molecular modeling, 3D-QSAR, and biological evaluation. | J Med Chem 56: 1830-42 (2013) | Universit£ degli Studi di Padova | 2D 3D TSV |
23414088 | 102 | Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters. | J Med Chem 56: 1614-28 (2013) | University of Copenhagen | 2D 3D TSV |
23412139 | 26 | Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aß Reduction. | ACS Med Chem Lett 3: 897-902 (2012) | TBA | 2D 3D TSV |
23411396 | 60 | Synthesis of new fluorinated, 2-substituted 5-pyrrolidinylsulfonyl isatin derivatives as caspase-3 and caspase-7 inhibitors: nonradioactive counterparts of putative PET-compatible apoptosis imaging agents. | Bioorg Med Chem 21: 2025-36 (2013) | Westf£lische Wilhelms-Universit£t M£nster | 2D 3D TSV |
23411395 | 8 | Synthesis of novel azo compounds containing 5(4H)-oxazolone ring as potent tyrosinase inhibitors. | Bioorg Med Chem 21: 2088-92 (2013) | Payame Noor University | 2D 3D TSV |
23411080 | 40 | Synthesis and SAR study of pyrrolo[3,4-b]pyridin-7(6H)-one derivatives as melanin concentrating hormone receptor 1 (MCH-R1) antagonists. | Bioorg Med Chem Lett 23: 1736-9 (2013) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
23411075 | 37 | Arylglycine derivatives as potent transient receptor potential melastatin 8 (TRPM8) antagonists. | Bioorg Med Chem Lett 23: 2234-7 (2013) | Janssen Research and Development LLC | 2D 3D TSV |
23411074 | 2 | Aspulvinones from a mangrove rhizosphere soil-derived fungus Aspergillus terreus Gwq-48 with anti-influenza A viral (H1N1) activity. | Bioorg Med Chem Lett 23: 1776-8 (2013) | Ocean University of China | 2D 3D TSV |
23411073 | 18 | Flavonoids as receptor tyrosine kinase FLT3 inhibitors. | Bioorg Med Chem Lett 23: 1768-70 (2013) | Dongguk University-Seoul | 2D 3D TSV |
23410798 | 1 | Spiro heterocycles as potential inhibitors of SIRT1: Pd/C-mediated synthesis of novel N-indolylmethyl spiroindoline-3,2'-quinazolines. | Bioorg Med Chem Lett 23: 1351-7 (2013) | University of Hyderabad Campus | 2D 3D TSV |
23410005 | 147 | Synthesis and cancer stem cell-based activity of substituted 5-morpholino-7H-thieno[3,2-b]pyran-7-ones designed as next generation PI3K inhibitors. | J Med Chem 56: 1922-39 (2013) | The University of Arizona | 2D 3D TSV |
23409953 | 13 | Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure. | J Med Chem 56: 2087-96 (2013) | VU University Amsterdam | 2D 3D TSV |
23409871 | 48 | Synthesis and structure-activity relationships of indazole arylsulfonamides as allosteric CC-chemokine receptor 4 (CCR4) antagonists. | J Med Chem 56: 1946-60 (2013) | GlaxoSmithKline | 2D 3D TSV |
23406473 | 4 | New chemotypes as Trypanosoma cruzi triosephosphate isomerase inhibitors: a deeper insight into the mechanism of inhibition. | J Enzyme Inhib Med Chem 29: 198-204 (2014) | Universidad de la República | 2D 3D TSV |
23406460 | 12 | A nonionic inhibitor with high specificity for the UDP-Gal donor binding site of human blood group B galactosyltransferase: design, synthesis, and characterization. | J Med Chem 56: 2150-4 (2013) | University of Hamburg | 2D 3D TSV |
23406429 | 83 | Novel triaryl sulfonamide derivatives as selective cannabinoid receptor 2 inverse agonists and osteoclast inhibitors: discovery, optimization, and biological evaluation. | J Med Chem 56: 2045-58 (2013) | University of Pittsburgh | 2D 3D TSV |
23403296 | 2 | Olive secoiridoids and semisynthetic bioisostere analogues for the control of metastatic breast cancer. | Bioorg Med Chem 21: 2117-27 (2013) | University of Louisiana at Monroe | 2D 3D TSV |
23403086 | 3 | Synthesis of tetrahydroxybiphenyls and tetrahydroxyterphenyls and their evaluation as amyloid-? aggregation inhibitors. | Bioorg Med Chem Lett 23: 1703-6 (2013) | Winthrop University | 2D 3D TSV |
23403082 | 28 | Cinnamides as selective small-molecule inhibitors of a cellular model of breast cancer stem cells. | Bioorg Med Chem Lett 23: 1834-8 (2013) | Broad Institute of MIT and Harvard | 2D 3D TSV |
23403081 | 20 | Design, synthesis and aromatase inhibitory activities of novel indole-imidazole derivatives. | Bioorg Med Chem Lett 23: 1760-2 (2013) | Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University) | 2D 3D TSV |
23402880 | 51 | The synthesis and SAR of calcitonin gene-related peptide (CGRP) receptor antagonists derived from tyrosine surrogates. Part 2. | Bioorg Med Chem Lett 23: 1870-3 (2013) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
23402879 | 1 | Synthetic approaches to DNMT inhibitor SGI-1027 and effects on the U937 leukemia cell line. | Bioorg Med Chem Lett 23: 1631-5 (2013) | Universidade de Vigo | 2D 3D TSV |
23402383 | 6 | Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents. | J Enzyme Inhib Med Chem 29: 215-22 (2014) | MSA University | 2D 3D TSV |
23401473 | 9 | Interaction of silymarin flavonolignans with organic anion-transporting polypeptides. | Drug Metab Dispos 41: 958-65 (2013) | University of North Carolina at Chapel Hill | 2D 3D TSV |
23399722 | 30 | Synthesis and biological evaluation of guanidino analogues of roscovitine. | Eur J Med Chem 62: 443-52 (2013) | Palack£ University & Institute of Experimental Botany ASCR | 2D 3D TSV |
23398677 | 21 | Design, Synthesis, Structural Characterization by IR, (1) H, (13) C, (15) N, 2D-NMR, X-Ray Diffraction and Evaluation of a New Class of Phenylaminoacetic Acid Benzylidene Hydrazines as pfENR Inhibitors. | Chem Biol Drug Des 81: 715-29 (2013) | Bombay College of Pharmacy | 2D 3D TSV |
23398496 | 8 | Mexican antidiabetic herbs: valuable sources of inhibitors ofa-glucosidases. | J Nat Prod 76: 468-83 (2013) | Universidad Nacional Aut£noma de M£xico | 2D 3D TSV |
23398473 | 85 | Selective mGAT2 (BGT-1) GABA uptake inhibitors: design, synthesis, and pharmacological characterization. | J Med Chem 56: 2160-4 (2013) | University of Copenhagen | 2D 3D TSV |
23398453 | 4 | Discovery and optimization of a novel series of potent mutant B-Raf(V600E) selective kinase inhibitors. | J Med Chem 56: 1996-2015 (2013) | AstraZeneca | 2D 3D TSV |
23398373 | 88 | Design and optimization of selective protein kinase C¿ (PKC¿) inhibitors for the treatment of autoimmune diseases. | J Med Chem 56: 1799-810 (2013) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
23398199 | 8 | ?-(Substituted-phenoxyacetoxy)-?-heterocyclylmethylphosphonates: synthesis, herbicidal activity, inhibition on pyruvate dehydrogenase complex (PDHc), and application as postemergent herbicide against broadleaf weeds. | J Agric Food Chem 61: 2479-88 (2013) | Central China Normal University | 2D 3D TSV |
23396419 | 4 | Involvement of organic anion-transporting polypeptides in the hepatic uptake of dioscin in rats and humans. | Drug Metab Dispos 41: 994-1003 (2013) | Dalian Medical University | 2D 3D TSV |
23395967 | 4 | In vitro activity of scorpiand-like azamacrocycle derivatives in promastigotes and intracellular amastigotes of Leishmania infantum and Leishmania braziliensis. | Eur J Med Chem 62: 466-77 (2013) | Universidad de Granada | 2D 3D TSV |
23395965 | 3 | Characterization of a selective CaMKII peptide inhibitor. | Eur J Med Chem 62: 425-34 (2013) | University of Naples Federico II | 2D 3D TSV |
23395664 | 66 | Phosphorothioate analogs of sn-2 radyl lysophosphatidic acid (LPA): metabolically stabilized LPA receptor agonists. | Bioorg Med Chem Lett 23: 1865-9 (2013) | The University of Utah | 2D 3D TSV |
23395662 | 2 | Synthesis of tartaric acid analogues of FR258900 and their evaluation as glycogen phosphorylase inhibitors. | Bioorg Med Chem Lett 23: 1789-92 (2013) | University of Debrecen | 2D 3D TSV |
23395660 | 48 | Benzimidazole-carboxamides as potent and bioavailable stearoyl-CoA desaturase (SCD1) inhibitors from ligand-based virtual screening and chemical optimization. | Bioorg Med Chem Lett 23: 1817-22 (2013) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
23395659 | 27 | Synthesis and biological evaluation of 1-(2-hydroxy-3-phenyloxypropyl)piperazine derivatives as T-type calcium channel blockers. | Bioorg Med Chem Lett 23: 1887-90 (2013) | Korea Institute of Science and Technology | 2D 3D TSV |
23395658 | 49 | Structure-guided design, synthesis and in vitro evaluation of a series of pyrazole-based fatty acid binding protein (FABP) 3 ligands. | Bioorg Med Chem Lett 23: 1662-6 (2013) | Okayama University 1-1-1 | 2D 3D TSV |
23395652 | 1 | Structural analogs of huperzine A improve survival in guinea pigs exposed to soman. | Bioorg Med Chem Lett 23: 1544-7 (2013) | University of Illinois at Chicago | 2D 3D TSV |
23395113 | 31 | Small molecule inhibitors of PCNA/PIP-box interaction suppress translesion DNA synthesis. | Bioorg Med Chem 21: 1972-7 (2013) | St. Jude Children's Research Hospital | 2D 3D TSV |
23395112 | 32 | Design, synthesis, and binding mode prediction of 2-pyridone-based selective CB2 receptor agonists. | Bioorg Med Chem 21: 2045-55 (2013) | Shionogi Pharmaceutical Research Center | 2D 3D TSV |
23395111 | 7 | Novel pseudopeptides incorporating a benzodiazepine-based turn mimetic--targeting Mycobacterium tuberculosis ribonucleotide reductase. | Bioorg Med Chem 21: 1992-2000 (2013) | Uppsala University | 2D 3D TSV |
23395110 | 4 | Novel symmetrical ureas as modulators of protein arginine methyl transferases. | Bioorg Med Chem 21: 2056-67 (2013) | Universidade de Vigo | 2D 3D TSV |
23394864 | 16 | Novel sulfamides as potential carbonic anhydrase isoenzymes inhibitors. | Bioorg Med Chem 21: 1379-85 (2013) | Atat£rk University | 2D 3D TSV |
23394863 | 13 | Synthesis and biological evaluation of substituted imidazoquinoline derivatives as mPGES-1 inhibitors. | Bioorg Med Chem 21: 2068-78 (2013) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
23394791 | 177 | 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII. | Bioorg Med Chem 21: 2093-106 (2013) | Vilnius University Institute of Biotechnology | 2D 3D TSV |
23394318 | 1 | Antidepressant abietane diterpenoids from Chinese eaglewood. | J Nat Prod 76: 216-22 (2013) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
23394218 | 159 | Discovery of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an orally bioavailable, potent inhibitor of Akt kinases. | J Med Chem 56: 2059-73 (2013) | AstraZeneca | 2D 3D TSV |
23394205 | 106 | Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a potent and selective inhibitor of ATR protein kinase with monotherapy in vivo antitumor activity. | J Med Chem 56: 2125-38 (2013) | AstraZeneca | 2D 3D TSV |
23394180 | 68 | Optimized S-trityl-L-cysteine-based inhibitors of kinesin spindle protein with potent in vivo antitumor activity in lung cancer xenograft models. | J Med Chem 56: 1878-93 (2013) | The Beatson Institute for Cancer Research | 2D 3D TSV |
23394144 | 17 | 1,2,3,4,6-Penta-O-galloyl-?-D-glucopyranose inhibits angiogenesis via inhibition of capillary morphogenesis gene 2. | J Med Chem 56: 1940-5 (2013) | Harvard Medical School | 2D 3D TSV |
23394126 | 170 | Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR). | J Med Chem 56: 2218-34 (2013) | Exelixis Inc | 2D 3D TSV |
23391589 | 6 | Discovery of novel inhibitors targeting the Mycobacterium tuberculosis O-acetylserine sulfhydrylase (CysK1) using virtual high-throughput screening. | Bioorg Med Chem Lett 23: 1182-6 (2013) | Birla Institute of Technology | 2D 3D TSV |
23391365 | 28 | Design and synthesis of 3,5-diaryl-4,5-dihydro-1H-pyrazoles as new tyrosinase inhibitors. | Bioorg Med Chem 21: 2156-62 (2013) | Sun Yat-sen University | 2D 3D TSV |
23391364 | 78 | Design, modification and 3D QSAR studies of novel naphthalin-containing pyrazoline derivatives with/without thiourea skeleton as anticancer agents. | Bioorg Med Chem 21: 1050-63 (2013) | Nanjing University | 2D 3D TSV |
23391336 | 80 | Cloning, characterization, and sulfonamide and thiol inhibition studies of ana-carbonic anhydrase from Trypanosoma cruzi, the causative agent of Chagas disease. | J Med Chem 56: 1761-71 (2013) | University of Tampere and Tampere University Hospital | 2D 3D TSV |
23391306 | 75 | Identification of novel D-amino acid oxidase inhibitors by in silico screening and their functional characterization in vitro. | J Med Chem 56: 1894-907 (2013) | Kitasato University | 2D 3D TSV |
23391145 | 7 | Mechanism of retinoid X receptor partial agonistic action of 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid and structural development to increase potency. | J Med Chem 56: 1865-77 (2013) | Okayama University Graduate School of Medicine | 2D 3D TSV |
23391138 | 14 | Synthesis and carbonic anhydrase isoenzymes I and II inhibitory effects of novel benzylamine derivatives. | J Enzyme Inhib Med Chem 29: 168-74 (2014) | Atatürk University | 2D 3D TSV |
23388705 | 30 | Transport of A1 adenosine receptor agonist tecadenoson by human and mouse nucleoside transporters: evidence for blood-brain barrier transport by murine equilibrative nucleoside transporter 1 mENT1. | Drug Metab Dispos 41: 916-22 (2013) | Gilead Sciences Inc | 2D 3D TSV |
23387824 | 18 | Sesquiterpenes from the rhizomes of Curcuma heyneana. | J Nat Prod 76: 223-9 (2013) | University of Toyama | 2D 3D TSV |
23386702 | 10 | Reversible inhibition of human carboxylesterases by acyl glucuronides. | Drug Metab Dispos 41: 698-703 (2013) | Eisai Inc. | 2D 3D TSV |
23385213 | 4 | Synthesis and antibacterial activities of new piperidine substituted (5R)-[1,2,3]triazolylmethyl and (5R)-[(4-F-[1,2,3]triazolyl)methyl] oxazolidinones. | Bioorg Med Chem Lett 23: 1193-6 (2013) | Korea Institute Science and Technology | 2D 3D TSV |
23385211 | 6 | Basic N-interlinked imipramines show apoptotic activity against malignant cells including Burkitt's lymphoma. | Bioorg Med Chem Lett 23: 1220-4 (2013) | Trinity College | 2D 3D TSV |
23384387 | 4 | Novel acylethanolamide derivatives that modulate body weight through enhancement of hypothalamic pro-opiomelanocortin (POMC) and/or decreased neuropeptide Y (NPY). | J Med Chem 56: 1811-29 (2013) | Hebrew University of Jerusalem | 2D 3D TSV |
23380475 | 7 | Synthesis, biological evaluation and molecular modeling of aloe-emodin derivatives as new acetylcholinesterase inhibitors. | Bioorg Med Chem 21: 1064-73 (2013) | Hainan University | 2D 3D TSV |
23380378 | 127 | Highly potent and selective cannabinoid receptor 2 agonists: initial hit optimization of an adamantyl hit series identified from high-through-put screening. | Bioorg Med Chem Lett 23: 1177-81 (2013) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
23380376 | 4 | Cinnamic acid derivatives as inhibitors for chorismatases and isochorismatases. | Bioorg Med Chem Lett 23: 1477-81 (2013) | University of Freiburg | 2D 3D TSV |
23380375 | 48 | Design, synthesis, and SAR of N-((1-(4-(propylsulfonyl)piperazin-1-yl)cycloalkyl)methyl)benzamide inhibitors of glycine transporter-1. | Bioorg Med Chem Lett 23: 1257-61 (2013) | AMRI | 2D 3D TSV |
23380174 | 2 | Montmorillonite K-10 catalyzed green synthesis of 2,6-unsubstituted dihydropyridines as potential inhibitors of PDE4. | Eur J Med Chem 62: 395-404 (2013) | Dr. Reddy's Laboratories Limited | 2D 3D TSV |
23379595 | 55 | Discovery of 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (MK-8033): A Specific c-Met/Ron dual kinase inhibitor with preferential affinity for the activated state of c-Met. | J Med Chem 56: 2294-310 (2013) | Merck & Co. Inc | 2D 3D TSV |
23379567 | 2 | Torsion angle preferences in druglike chemical space: a comprehensive guide. | J Med Chem 56: 2016-28 (2013) | University of Hamburg | 2D 3D TSV |
23379472 | 187 | Structural modifications to tetrahydropyridine-3-carboxylate esters en route to the discovery of M5-preferring muscarinic receptor orthosteric antagonists. | J Med Chem 56: 1693-703 (2013) | University of Arkansas for Medical Sciences | 2D 3D TSV |
23378626 | 2 | Absorption, elimination, and metabolism of CS-1036, a novela-amylase inhibitor in rats and monkeys, and the relationship between gastrointestinal distribution and suppression of glucose absorption. | Drug Metab Dispos 41: 878-87 (2013) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
23376997 | 53 | Arylsulfonamide inhibitors of aggrecanases as potential therapeutic agents for osteoarthritis: synthesis and biological evaluation. | Eur J Med Chem 62: 379-94 (2013) | Universit£ di Pisa | 2D 3D TSV |
23376252 | 13 | Rational design, efficient syntheses and biological evaluation of N,N'-symmetrically bis-substituted butylimidazole analogs as a new class of potent Angiotensin II receptor blockers. | Eur J Med Chem 62: 352-70 (2013) | University of Patras | 2D 3D TSV |
23376251 | 32 | Towards dual antithrombotic compounds - balancing thrombin inhibitory and fibrinogen GPIIb/IIIa binding inhibitory activities of 2,3-dihydro-1,4-benzodioxine derivatives through regio- and stereoisomerism. | Eur J Med Chem 62: 329-40 (2013) | University of Ljubljana | 2D 3D TSV |
23376249 | 46 | Synthesis and biological evaluation of 1,3,4-thiadiazole analogues as novel AChE and BuChE inhibitors. | Eur J Med Chem 62: 311-9 (2013) | University of Life Sciences | 2D 3D TSV |
23376248 | 3 | Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening. | Eur J Med Chem 62: 301-10 (2013) | Fudan University | 2D 3D TSV |
23376011 | 37 | Potent BRAF kinase inhibitors based on 2,4,5-trisubstituted imidazole with naphthyl and benzothiophene 4-substituents. | Bioorg Med Chem 21: 1284-304 (2013) | The Institute of Cancer Research | 2D 3D TSV |
23375794 | 220 | Synthesis and structure-activity relationship analysis of caffeic acid amides as selective matrix metalloproteinase inhibitors. | Bioorg Med Chem Lett 23: 1206-11 (2013) | Nanjing University of Chinese Medicine | 2D 3D TSV |
23375793 | 26 | Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014. | Bioorg Med Chem Lett 23: 1212-6 (2013) | AstraZeneca | 2D 3D TSV |
23375227 | 6 | Critical role of a methyl group on the¿-lactone ring of annonaceous acetogenins in the potent inhibition of mitochondrial complex I. | Bioorg Med Chem Lett 23: 1217-9 (2013) | Kyoto Pharmaceutical University | 2D 3D TSV |
23375226 | 22 | Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species. | Bioorg Med Chem Lett 23: 1279-84 (2013) | University of Connecticut | 2D 3D TSV |
23375225 | 11 | Hybrids consisting of the pharmacophores of salmeterol and roflumilast or phthalazinone: dualß2-adrenoceptor agonists-PDE4 inhibitors for the treatment of COPD. | Bioorg Med Chem Lett 23: 1548-52 (2013) | Sun Yat-sen University | 2D 3D TSV |
23375094 | 12 | Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells. | Bioorg Med Chem 21: 1109-15 (2013) | The University of Tokyo | 2D 3D TSV |
23375092 | 16 | The effect of absolute configuration on activity, subtype selectivity (M3/M2) of 3a-acyloxy-6ß-acetoxyltropane derivatives as muscarinic M3 receptor antagonists. | Bioorg Med Chem 21: 1234-9 (2013) | Shanghai Jiao Tong University | 2D 3D TSV |
23375091 | 5 | Selective inhibition of glycosyltransferases by bivalent imidazolium salts. | Bioorg Med Chem 21: 1305-11 (2013) | Queen's University | 2D 3D TSV |
23375090 | 54 | N2-Trimethylacetyl substituted and unsubstituted-N4-phenylsubstituted-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines: design, cellular receptor tyrosine kinase inhibitory activities and in vivo evaluation as antiangiogenic, antimetastatic and antitumor agents. | Bioorg Med Chem 21: 1312-23 (2013) | Duquesne University | 2D 3D TSV |
23374872 | 27 | Potent and selective tariquidar bioisosters as potential PET radiotracers for imaging P-gp. | Bioorg Med Chem Lett 23: 1370-4 (2013) | Universit£ degli Studi di Bari 'A. Moro' | 2D 3D TSV |
23374869 | 49 | Inhibition of monoamine oxidase by phthalide analogues. | Bioorg Med Chem Lett 23: 1269-73 (2013) | North-West University | 2D 3D TSV |
23374868 | 76 | 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl)ethanones as novel CCR1 antagonists. | Bioorg Med Chem Lett 23: 1228-31 (2013) | ChemoCentryx, Inc. | 2D 3D TSV |
23374867 | 40 | Discovery of (1R,2R)-N-(4-(6-isopropylpyridin-2-yl)-3-(2-methyl-2H-indazol-5-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide, a potent and orally efficacious mGlu5 receptor negative allosteric modulator. | Bioorg Med Chem Lett 23: 1249-52 (2013) | Eli Lilly and Company | 2D 3D TSV |
23374866 | 35 | Inhibiting NF-¿B-inducing kinase (NIK): discovery, structure-based design, synthesis, structure-activity relationship, and co-crystal structures. | Bioorg Med Chem Lett 23: 1238-44 (2013) | Amgen Inc | 2D 3D TSV |
23374864 | 9 | Synthesis and biological evaluation of 5-nitropyrimidine analogs with azabicyclic substituents as GPR119 agonists. | Bioorg Med Chem Lett 23: 1519-21 (2013) | College of Pharmacy of Kangwon National University | 2D 3D TSV |
23374014 | 24 | Discovery of biphenylacetamide-derived inhibitors of BACE1 using de novo structure-based molecular design. | J Med Chem 56: 1843-52 (2013) | University of Leeds | 2D 3D TSV |
23371966 | 1 | Potential role of UGT1A4 promoter SNPs in anastrozole pharmacogenomics. | Drug Metab Dispos 41: 870-7 (2013) | University of Arkansas for Medical Sciences | 2D 3D TSV |
23371965 | 1 | The inactivation of human CYP2E1 by phenethyl isothiocyanate, a naturally occurring chemopreventive agent, and its oxidative bioactivation. | Drug Metab Dispos 41: 858-69 (2013) | University of Michigan Medical School | 2D 3D TSV |
23369538 | 88 | Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 1. | Bioorg Med Chem Lett 23: 1285-7 (2013) | Kitasato University | 2D 3D TSV |
23369356 | 15 | Biological profile of the less lipophilic and synthetically more accessible bryostatin 7 closely resembles that of bryostatin 1. | ACS Chem Biol 8: 767-77 (2013) | National Cancer Institute-Bethesda | 2D 3D TSV |
23368907 | 62 | Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists. | J Med Chem 56: 1704-14 (2013) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
23368884 | 80 | Potent and selective inhibition of histone deacetylase 6 (HDAC6) does not require a surface-binding motif. | J Med Chem 56: 1772-6 (2013) | Broad Institute of MIT and Harvard | 2D 3D TSV |
23363292 | 8 | The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition. | Biochemistry 52: 1776-1787 (2013) | University of Auckland | 2D 3D TSV |
23363077 | 2 | Fluorinated N,N-dialkylaminostilbenes repress colon cancer by targeting methionine S-adenosyltransferase 2A. | ACS Chem Biol 8: 796-803 (2013) | University of Kentucky | 2D 3D TSV |
23363058 | 68 | Modulation of cytochromes P450 with xanthone-based molecules: from aromatase to aldosterone synthase and steroid 11ß-hydroxylase inhibition. | J Med Chem 56: 1723-9 (2013) | University of Bologna | 2D 3D TSV |
23363020 | 3 | Pharmacological chaperones as therapeutics for lysosomal storage diseases. | J Med Chem 56: 2705-25 (2013) | Amicus Therapeutics, Inc | 2D 3D TSV |
23363003 | 22 | Development of inhibitors of the PAS-B domain of the HIF-2a transcription factor. | J Med Chem 56: 1739-47 (2013) | University of Texas Southwestern Medical Center | 2D 3D TSV |
23362959 | 72 | Structure-activity relationship studies of pyrazolo[3,4-d]pyrimidine derivatives leading to the discovery of a novel multikinase inhibitor that potently inhibits FLT3 and VEGFR2 and evaluation of its activity against acute myeloid leukemia in vitro and in vivo. | J Med Chem 56: 1641-55 (2013) | Sichuan University | 2D 3D TSV |
23362938 | 48 | Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design. | J Med Chem 56: 1748-60 (2013) | Trius Therapeutics Inc | 2D 3D TSV |
23362923 | 59 | Biselectivity of isoDGR peptides for fibronectin binding integrin subtypesa5ß1 andavß6: conformational control through flanking amino acids. | J Med Chem 56: 1509-19 (2013) | Technische Universit£t M£nchen | 2D 3D TSV |
23362862 | 13 | A chemical-biological study reveals C9-type iridoids as novel heat shock protein 90 (Hsp90) inhibitors. | J Med Chem 56: 1583-95 (2013) | Universit£ di Salerno | 2D 3D TSV |
23360448 | 18 | Development of¿ opioid receptor antagonists. | J Med Chem 56: 2178-95 (2013) | Research Triangle Institute | 2D 3D TSV |
23360348 | 11 | Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Ka. | J Med Chem 56: 712-21 (2013) | Celgene Avilomics Research, Inc. | 2D 3D TSV |
23360239 | 19 | A novel class of oral direct renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore. | J Med Chem 56: 2196-206 (2013) | Novartis Pharma AG | 2D 3D TSV |
23360215 | 16 | Exploring a new frontier in cancer treatment: targeting the ubiquitin and ubiquitin-like activating enzymes. | J Med Chem 56: 2165-77 (2013) | University of Toronto Mississauga | 2D 3D TSV |
23357636 | 4 | Bioactive polyhydroxylated steroids from the Hainan soft coral Sinularia depressa Tixier-Durivault. | Bioorg Med Chem Lett 23: 1334-7 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23357634 | 74 | Discovery and structure-activity relationship of 1,3-cyclohexyl amide derivatives as novel mGluR5 negative allosteric modulators. | Bioorg Med Chem Lett 23: 1398-406 (2013) | Lundbeck Research USA, Inc. | 2D 3D TSV |
23357627 | 10 | Phosphonic analogues of glutamic acid as irreversible inhibitors of Staphylococcus aureus endoproteinase GluC: an efficient synthesis and inhibition of the human IgG degradation. | Bioorg Med Chem Lett 23: 1412-5 (2013) | Wroclaw University of Technology | 2D 3D TSV |
23357307 | 14 | Novel pyrazole derivatives as neutral CB1 antagonists with significant activity towards food intake. | Eur J Med Chem 62: 256-69 (2013) | Neuroscienze PharmaNess S.c.a r.l. | 2D 3D TSV |
23357038 | 31 | N1,N3-disubstituted uracils as nonnucleoside inhibitors of HIV-1 reverse transcriptase. | Bioorg Med Chem 21: 1150-8 (2013) | Volgograd State Medical University | 2D 3D TSV |
23357035 | 19 | Synthesis and biological evaluation of novel 2,4-disubstituted quinazoline analogues as GPR119 agonists. | Bioorg Med Chem 21: 1349-56 (2013) | Kangwon National University | 2D 3D TSV |
23356879 | 50 | Synthesis and structure-activity relationship studies of novel dual inhibitors of soluble epoxide hydrolase and 5-lipoxygenase. | J Med Chem 56: 1777-81 (2013) | Goethe-University Frankfurt | 2D 3D TSV |
23356427 | 16 | Synthesis and carbonic anhydrase inhibitory properties of 1,3-dicarbonyl derivatives of methylaminobenzene-sulfonamide. | J Enzyme Inhib Med Chem 29: 132-6 (2014) | Sakarya University | 2D 3D TSV |
23356363 | 215 | Benzenesulfonamides with benzimidazole moieties as inhibitors of carbonic anhydrases I, II, VII, XII and XIII. | J Enzyme Inhib Med Chem 29: 124-31 (2014) | Vilnius University | 2D 3D TSV |
23355637 | 14 | Metabolites of PPI-2458, a selective, irreversible inhibitor of methionine aminopeptidase-2: structure determination and in vivo activity. | Drug Metab Dispos 41: 814-26 (2013) | GlaxoSmithKline | 2D 3D TSV |
23354070 | 18 | Evidence for a new binding mode to GSK-3: allosteric regulation by the marine compound palinurin. | Eur J Med Chem 60: 479-89 (2013) | Universitat de Barcelona | 2D 3D TSV |
23353756 | 23 | Synthesis, pharmacological evaluation and QSAR modeling of mono-substituted 4-phenylpiperidines and 4-phenylpiperazines. | Eur J Med Chem 62: 241-55 (2013) | NeuroSearch Sweden AB | 2D 3D TSV |
23353746 | 46 | 2,3-diarylpropenoic acids as selective non-steroidal inhibitors of type-5 17ß-hydroxysteroid dehydrogenase (AKR1C3). | Eur J Med Chem 62: 89-97 (2013) | University of Ljubljana | 2D 3D TSV |
23353742 | 29 | Design, synthesis and SAR of piperidyl-oxadiazoles as 11ß-hydroxysteroid dehydrogenase 1 inhibitors. | Eur J Med Chem 62: 1-10 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23353741 | 117 | Synthesis and biological evaluation of some novel resveratrol amide derivatives as potential anti-tumor agents. | Eur J Med Chem 62: 222-31 (2013) | Hefei University of Technology | 2D 3D TSV |
23353740 | 21 | Biotransformation of LASSBio-579 and pharmacological evaluation of p-hydroxylated metabolite a N-phenylpiperazine antipsychotic lead compound. | Eur J Med Chem 62: 214-21 (2013) | Universidade Federal de Goi£s | 2D 3D TSV |
23353736 | 41 | Synthesis of derivatives of methyl rosmarinate and their inhibitory activities against matrix metalloproteinase-1 (MMP-1). | Eur J Med Chem 62: 148-57 (2013) | Second Military Medical University | 2D 3D TSV |
23352768 | 21 | Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase. | Bioorg Med Chem 21: 1333-43 (2013) | University of California | 2D 3D TSV |
23352754 | 28 | o-Benzenedisulfonimido-sulfonamides are potent inhibitors of the tumor-associated carbonic anhydrase isoforms CA IX and CA XII. | Bioorg Med Chem 21: 1386-91 (2013) | Istanbul University | 2D 3D TSV |
23352510 | 37 | Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead. | Bioorg Med Chem Lett 23: 1486-92 (2013) | Roche Palo Alto | 2D 3D TSV |
23352509 | 27 | Pharmacological properties and predicted binding mode of arylmethylene quinuclidine-like derivatives at the ?3?4 nicotinic acetylcholine receptor (nAChR). | Bioorg Med Chem Lett 23: 1450-5 (2013) | Targacept, Inc. | 2D 3D TSV |
23352481 | 16 | Design, synthesis and structure-activity relationship of novel tricyclic benzimidazolone derivatives as potent 18 kDa translocator protein (TSPO) ligands. | Bioorg Med Chem 21: 1257-67 (2013) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
23350847 | 169 | Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors. | J Med Chem 56: 1677-92 (2013) | Hoffmann-La Roche Inc | 2D 3D TSV |
23350811 | 57 | Docking-based virtual screening of covalently binding ligands: an orthogonal lead discovery approach. | J Med Chem 56: 1478-90 (2013) | MSD Animal Health Innovation GmbH | 2D 3D TSV |
23350768 | 196 | Design, synthesis, and pharmacological properties of new heteroarylpyridine/heteroarylpyrimidine derivatives as CB(2) cannabinoid receptor partial agonists. | J Med Chem 56: 1098-112 (2013) | Universit£ di Ferrara | 2D 3D TSV |
23350742 | 12 | Synthesis, fungicidal activity, and sterol 14?-demethylase binding interaction of 2-azolyl-3,4-dihydroquinazolines on Penicillium digitatum. | J Agric Food Chem 61: 1419-26 (2013) | Central China Normal University | 2D 3D TSV |
23350733 | 10 | Potent elastase inhibitors from cyanobacteria: structural basis and mechanisms mediating cytoprotective and anti-inflammatory effects in bronchial epithelial cells. | J Med Chem 56: 1276-90 (2013) | University of Florida | 2D 3D TSV |
23347803 | 29 | Naphthalenyl derivatives for hitting P-gp/MRP1/BCRP transporters. | Bioorg Med Chem 21: 1324-32 (2013) | Universit£ degli Studi di Bari Aldo Moro | 2D 3D TSV |
23347683 | 166 | A novel class of 3-(phenoxy-phenyl-methyl)-pyrrolidines as potent and balanced norepinephrine and serotonin reuptake inhibitors: synthesis and structure-activity relationships. | Bioorg Med Chem Lett 23: 1456-61 (2013) | Theravance, Inc. | 2D 3D TSV |
23344974 | 8 | Using a fragment-based approach to target protein-protein interactions. | Chembiochem 14: 332-42 (2013) | University of Cambridge | 2D 3D TSV |
23344796 | 16 | Organic anion transporter 3 interacts selectively with lipophilicß-lactam antibiotics. | Drug Metab Dispos 41: 791-800 (2013) | Wilkes University | 2D 3D TSV |
23344363 | 9 | Synthesis and biological evaluation of radioiodinated quinacrine-based derivatives for SPECT imaging of A? plaques. | Eur J Med Chem 60: 469-78 (2013) | Nagasaki University | 2D 3D TSV |
23343195 | 5 | Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. | J Med Chem 56: 1149-59 (2013) | CEA | 2D 3D TSV |
23342998 | 4 | Detecting allosteric sites of HIV-1 reverse transcriptase by X-ray crystallographic fragment screening. | J Med Chem 56: 2738-46 (2013) | Rutgers University | 2D 3D TSV |
23342950 | 35 | Effect of helical conformation and side chain structure on ?-secretase inhibition by ?-peptide foldamers: insight into substrate recognition. | J Med Chem 56: 1443-54 (2013) | Nagoya City University | 2D 3D TSV |
23342198 | 77 | Structure-activity relationships and molecular modeling of 1,2,4-triazoles as adenosine receptor antagonists. | ACS Med Chem Lett 3: 715-720 (2012) | TBA | 2D 3D TSV |
23340139 | 27 | Evaluation of adamantane hydroxamates as botulinum neurotoxin inhibitors: synthesis, crystallography, modeling, kinetic and cellular based studies. | Bioorg Med Chem 21: 1344-8 (2013) | The Scripps Research Institute | 2D 3D TSV |
23339734 | 4 | Design, synthesis, and functional evaluation of leukocyte function associated antigen-1 antagonists in early and late stages of cancer development. | J Med Chem 56: 735-47 (2013) | Ikerchem Ltd. | 2D 3D TSV |
23339426 | 46 | In vitro inhibition effect and structure-activity relationships of some saccharin derivatives on erythrocyte carbonic anhydrase I and II. | J Enzyme Inhib Med Chem 29: 118-23 (2014) | Sakarya University | 2D 3D TSV |
23337802 | 21 | Synthesis and biological evaluation of novel tryptoline derivatives as indoleamine 2,3-dioxygenase (IDO) inhibitors. | Bioorg Med Chem 21: 1159-65 (2013) | Toho University | 2D 3D TSV |
23337801 | 24 | Synthesis and SAR study of new thiazole derivatives as vascular adhesion protein-1 (VAP-1) inhibitors for the treatment of diabetic macular edema. | Bioorg Med Chem 21: 1219-33 (2013) | Astellas Pharma Inc | 2D 3D TSV |
23337601 | 70 | Discovery of 5-phenoxy-1,3-dimethyl-1H-pyrazole-4-carboxamides as potent agonists of TGR5 via sequential combinatorial libraries. | Bioorg Med Chem Lett 23: 1407-11 (2013) | Pfizer Inc | 2D 3D TSV |
23337599 | 7 | N-1, C-3 substituted indoles as 5-LOX inhibitors--in vitro enzyme immunoaasay, mass spectral and molecular docking investigations. | Bioorg Med Chem Lett 23: 1433-7 (2013) | Guru Nanak Dev University | 2D 3D TSV |
23336362 | 10 | Focused pseudostatic hydrazone libraries screened by mass spectrometry binding assay: optimizing affinities toward¿-aminobutyric acid transporter 1. | J Med Chem 56: 1323-40 (2013) | Ludwig Maximilians University at Munich | 2D 3D TSV |
23336033 | 175 | Novel Inverse Binding Mode of Indirubin Derivatives Yields Improved Selectivity for DYRK Kinases. | ACS Med Chem Lett 4: 22-26 (2013) | University of Athens | 2D 3D TSV |
23333209 | 62 | Amides of 4-hydroxy-8-methanesulfonylamino-quinoline-2-carboxylic acid as zinc-dependent inhibitors of Lp-PLA2. | Bioorg Med Chem Lett 23: 1553-6 (2013) | ActivX Biosciences Inc | 2D 3D TSV |
23333208 | 24 | Design and synthesis of D1 agonist/D2 antagonist for treatment of schizophrenia. | Bioorg Med Chem Lett 23: 1498-501 (2013) | Sanofi US | 2D 3D TSV |
23333207 | 9 | Synthesis and biological evaluation of 2-(arylethynyl)quinoline derivatives as mGluR5 antagonists for the treatment of neuropathic pain. | Bioorg Med Chem Lett 23: 1472-6 (2013) | Brain Science Institute | 2D 3D TSV |
23332369 | 5 | Synthesis of N(4)-(substituted phenyl)-N(4)-alkyl/desalkyl-9H-pyrimido[4,5-b]indole-2,4-diamines and identification of new microtubule disrupting compounds that are effective against multidrug resistant cells. | Bioorg Med Chem 21: 891-902 (2013) | Duquesne University | 2D 3D TSV |
23332346 | 69 | Asymmetric total synthesis and identification of tetrahydroprotoberberine derivatives as new antipsychotic agents possessing a dopamine D(1), D(2) and serotonin 5-HT(1A) multi-action profile. | Bioorg Med Chem 21: 856-68 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23330908 | 66 | Structure-based design and synthesis of C-1- and C-4-modified analogs of zanamivir as neuraminidase inhibitors. | J Med Chem 56: 671-84 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23330848 | 8 | Acetylcholinesterase immobilized capillary reactors-tandem mass spectrometry: an on-flow tool for ligand screening. | J Med Chem 56: 2038-44 (2013) | Universidade Federal de S£o Carlos | 2D 3D TSV |
23327656 | 10 | Selective inhibition of extracellular thioredoxin by asymmetric disulfides. | J Med Chem 56: 1301-10 (2013) | Stanford University | 2D 3D TSV |
23327640 | 24 | Phenolic compounds with pancreatic lipase inhibitory activity from Korean yam (Dioscorea opposita). | J Enzyme Inhib Med Chem 29: 1-6 (2014) | Seoul National University | 2D 3D TSV |
23326631 | 6 | Selective inhibition of E. coli 1-deoxy-D-xylulose-5-phosphate synthase by acetylphosphonates(). | Medchemcomm 3: 65-67 (2012) | The Johns Hopkins University School of Medicine | 2D 3D TSV |
23324406 | 77 | Phthalazinone inhibitors of inosine-5'-monophosphate dehydrogenase from Cryptosporidium parvum. | Bioorg Med Chem Lett 23: 1004-7 (2013) | Brandeis University | 2D 3D TSV |
23324405 | 49 | Evolution of novel tricyclic CRTh2 receptor antagonists from a (E)-2-cyano-3-(1H-indol-3-yl)acrylamide scaffold. | Bioorg Med Chem Lett 23: 944-8 (2013) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
23323953 | 18 | Synthesis and carbonic anhydrase inhibitory properties of novel 1,4-dihydropyrimidinone substituted diarylureas. | J Enzyme Inhib Med Chem 29: 18-22 (2014) | Sakarya University | 2D 3D TSV |
23323951 | 10 | Phenolic phytochemical displaying SARS-CoV papain-like protease inhibition from the seeds of Psoralea corylifolia. | J Enzyme Inhib Med Chem 29: 59-63 (2014) | Gyeongsang National University | 2D 3D TSV |
23323521 | 52 | Optimization of non-ATP competitive CDK/cyclin groove inhibitors through REPLACE-mediated fragment assembly. | J Med Chem 56: 1573-82 (2013) | University of South Carolina | 2D 3D TSV |
23320547 | 69 | Incorporation of non-natural amino acids improves cell permeability and potency of specific inhibitors of proteasome trypsin-like sites. | J Med Chem 56: 1262-75 (2013) | Leiden Institute of Chemistry and Netherlands Proteomics Centre | 2D 3D TSV |
23320429 | 48 | Structure-activity relationship studies of argiotoxins: selective and potent inhibitors of ionotropic glutamate receptors. | J Med Chem 56: 1171-81 (2013) | University of Copenhagen | 2D 3D TSV |
23318905 | 23 | Identification of benzofuran-3-yl(phenyl)methanones as novel SIRT1 inhibitors: binding mode, inhibitory mechanism and biological action. | Eur J Med Chem 60: 441-50 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23318904 | 41 | Design, synthesis and biological evaluation of sulfur-containing 1,1-bisphosphonic acids as antiparasitic agents. | Eur J Med Chem 60: 431-40 (2013) | Universidad de Buenos Aires | 2D 3D TSV |
23317572 | 4 | Radiolytic transformation of rotenone with potential anti-adipogenic activity. | Bioorg Med Chem Lett 23: 1099-103 (2013) | Korea Atomic Energy Research Institute | 2D 3D TSV |
23317571 | 25 | A multivalent approach towards linked dual-pharmacology prostaglandin F receptor agonist/carbonic anhydrase-II inhibitors for the treatment of glaucoma. | Bioorg Med Chem Lett 23: 939-43 (2013) | Theravance, Inc. | 2D 3D TSV |
23317570 | 42 | Lead optimization of a pyridine-carboxamide series as DGAT-1 inhibitors. | Bioorg Med Chem Lett 23: 985-8 (2013) | Merck Research Laboratories | 2D 3D TSV |
23317569 | 57 | Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors. | Bioorg Med Chem Lett 23: 979-84 (2013) | OSI Pharmaceuticals LLC | 2D 3D TSV |
23316926 | 12 | Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket. | J Med Chem 56: 1341-5 (2013) | Amgen Inc | 2D 3D TSV |
23316863 | 1 | Sulfated pentagalloylglucoside is a potent, allosteric, and selective inhibitor of factor XIa. | J Med Chem 56: 867-78 (2013) | Virginia Commonwealth University | 2D 3D TSV |
23316803 | 43 | Discovery and mechanism study of SIRT1 activators that promote the deacetylation of fluorophore-labeled substrate. | J Med Chem 56: 761-80 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23314054 | 41 | Fragment-based design, synthesis, and biological evaluation of N-substituted-5-(4-isopropylthiophenol)-2-hydroxynicotinamide derivatives as novel Mcl-1 inhibitors. | Eur J Med Chem 60: 410-20 (2013) | Dalian University of Technology | 2D 3D TSV |
23314046 | 3 | Identification of novel antimycobacterial chemical agents through the in silico multi-conformational structure-based drug screening of a large-scale chemical library. | Eur J Med Chem 60: 333-9 (2013) | Kyushu Institute of Technology | 2D 3D TSV |
23314045 | 41 | Inhibition of protein glycation by urea and thiourea derivatives of glycine/proline conjugated benzisoxazole analogue - synthesis and structure-activity studies. | Eur J Med Chem 60: 325-32 (2013) | University of Mysore | 2D 3D TSV |
23313638 | 6 | Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities. | Eur J Med Chem 60: 295-304 (2013) | Tohoku Pharmaceutical University | 2D 3D TSV |
23313637 | 14 | Synthesis of quinoline derivatives: discovery of a potent and selective phosphodiesterase 5 inhibitor for the treatment of Alzheimer's disease. | Eur J Med Chem 60: 285-94 (2013) | Columbia University | 2D 3D TSV |
23313244 | 57 | Pyrazole-based arylalkyne cathepsin S inhibitors. Part III: modification of P4 region. | Bioorg Med Chem Lett 23: 1070-4 (2013) | Janssen Research and Development LLC | 2D 3D TSV |
23312949 | 22 | Synthesis, biological evaluation, 3D-QSAR studies of novel aryl-2H-pyrazole derivatives as telomerase inhibitors. | Bioorg Med Chem Lett 23: 1091-5 (2013) | Nanjing University | 2D 3D TSV |
23312947 | 22 | Synthesis and evaluation of 4,5-dihydro-5-methylisoxazolin-5-carboxamide derivatives as VLA-4 antagonists. | Bioorg Med Chem Lett 23: 1482-5 (2013) | Ranbaxy Research Laboratories | 2D 3D TSV |
23312944 | 38 | Discovery of a novel [3.2.1] benzo fused bicyclic sulfonamide-pyrazoles as potent, selective and efficacious ?-secretase inhibitors. | Bioorg Med Chem Lett 23: 996-1000 (2013) | Elan Pharmaceuticals | 2D 3D TSV |
23312943 | 166 | Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. | Bioorg Med Chem Lett 23: 1051-5 (2013) | Pfizer Inc | 2D 3D TSV |
23312612 | 8 | Synthesis of derivatives of the keto-pyrrolyl-difluorophenol scaffold: some structural aspects for aldose reductase inhibitory activity and selectivity. | Bioorg Med Chem 21: 869-73 (2013) | Aristotle University of Thessaloniki | 2D 3D TSV |
23312611 | 3 | Effective inhibition of acid and neutral ceramidases by novel B-13 and LCL-464 analogues. | Bioorg Med Chem 21: 874-82 (2013) | Humboldt Universit£t zu Berlin | 2D 3D TSV |
23312474 | 36 | Identification of N-acyl 4-(5-pyrimidine-2,4-dionyl)phenylalanine derivatives and their orally active prodrug esters as dual-acting alpha4-beta1 and alpha4-beta7 receptor antagonists. | Bioorg Med Chem Lett 23: 1026-31 (2013) | Hoffmann-La Roche Inc | 2D 3D TSV |
23312472 | 129 | Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. | Bioorg Med Chem Lett 23: 1046-50 (2013) | Pfizer Inc | 2D 3D TSV |
23312471 | 31 | Identification of N-acyl 4-(3-pyridonyl)phenylalanine derivatives and their orally active prodrug esters as dual actinga4ß1 anda4ß7 receptor antagonists. | Bioorg Med Chem Lett 23: 1036-40 (2013) | Hoffmann-La Roche Inc | 2D 3D TSV |
23312470 | 3 | A comparative protease stability study of synthetic macrocyclic peptides that mimic two endocrine hormones. | Bioorg Med Chem Lett 23: 989-95 (2013) | The College of New Jersey | 2D 3D TSV |
23311976 | 16 | Evaluation of Coumarin and Neoflavone Derivatives as HCV NS5B Polymerase Inhibitors. | Chem Biol Drug Des 81: 607-14 (2013) | UMDNJ-New Jersey Medical School | 2D 3D TSV |
23311862 | 12 | Carbonic anhydrase inhibitory properties of novel sulfonamide derivatives of aminoindanes and aminotetralins. | J Enzyme Inhib Med Chem 29: 35-42 (2014) | Atatürk University | 2D 3D TSV |
23311358 | 2 | The 2.5Å crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition. | J Med Chem 56: 963-9 (2013) | Eli Lilly and Company | 2D 3D TSV |
23308336 | 13 | Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of Anti-Psychotic Activity. | ACS Med Chem Lett 1: 433-438 (2010) | TBA | 2D 3D TSV |
23306195 | 39 | Thiolactomycin-based ß-Ketoacyl-AcpM Synthase A (KasA) Inhibitors: FRAGMENT-BASED INHIBITOR DISCOVERY USING TRANSIENT ONE-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT NMR SPECTROSCOPY. | J Biol Chem 288: 6045-52 (2013) | Institute for Chemical Biology & Drug Discovery | 2D 3D TSV |
23306054 | 1 | Probing the steric requirements of the¿-aminobutyric acid aminotransferase active site with fluorinated analogues of vigabatrin. | Bioorg Med Chem 21: 903-11 (2013) | Northwestern University | 2D 3D TSV |
23306052 | 76 | Discovery of novel inhibitors of LEDGF/p75-IN protein-protein interactions. | Bioorg Med Chem 21: 957-63 (2013) | University of Southern California | 2D 3D TSV |
23305922 | 2 | Discovery of a small-molecule antiviral targeting the HIV-1 matrix protein. | Bioorg Med Chem Lett 23: 1132-5 (2013) | Drexel University College of Medicine | 2D 3D TSV |
23305921 | 2 | Synthesis and dual biological effects of hydroxycinnamoyl phenylalanyl/prolyl hydroxamic acid derivatives as tyrosinase inhibitor and antioxidant. | Bioorg Med Chem Lett 23: 1136-42 (2013) | Seoul National University | 2D 3D TSV |
23305709 | 2 | Pharmacokinetics, metabolism, and excretion of the glycogen synthase kinase-3 inhibitor LY2090314 in rats, dogs, and humans: a case study in rapid clearance by extensive metabolism with low circulating metabolite exposure. | Drug Metab Dispos 41: 714-26 (2013) | Eli Lilly and Company | 2D 3D TSV |
23305444 | 171 | Discovery and evaluation of novel inhibitors of mycobacterium protein tyrosine phosphatase B from the 6-Hydroxy-benzofuran-5-carboxylic acid scaffold. | J Med Chem 56: 832-42 (2013) | Indiana University School of Medicine | 2D 3D TSV |
23305300 | 12 | A Hexylchloride-Based Catch-and-Release System for Chemical Proteomic Applications. | ACS Chem Biol 8: 691-9 (2013) | University of Washington | 2D 3D TSV |
23302067 | 29 | Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors. | J Med Chem 56: 1023-40 (2013) | ARIAD Pharmaceuticals Inc | 2D 3D TSV |
23301853 | 4 | Benzoquinones and terphenyl compounds as phosphodiesterase-4B inhibitors from a fungus of the order Chaetothyriales (MSX 47445). | J Nat Prod 76: 382-7 (2013) | University of North Carolina at Greensboro | 2D 3D TSV |
23301792 | 1 | The precise chemical-physical nature of the pharmacore in FK506 binding protein inhibition: ElteX, a New class of nanomolar FKBP12 ligands. | J Med Chem 56: 1041-51 (2013) | Universit£ di Firenze | 2D 3D TSV |
23301767 | 154 | Substituted 4-(thiazol-5-yl)-2-(phenylamino)pyrimidines are highly active CDK9 inhibitors: synthesis, X-ray crystal structures, structure-activity relationship, and anticancer activities. | J Med Chem 56: 640-59 (2013) | University of Nottingham | 2D 3D TSV |
23301703 | 20 | Identification of GZD824 as an orally bioavailable inhibitor that targets phosphorylated and nonphosphorylated breakpoint cluster region-Abelson (Bcr-Abl) kinase and overcomes clinically acquired mutation-induced resistance against imatinib. | J Med Chem 56: 879-94 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
23301637 | 63 | Targeting the binding function 3 (BF3) site of the androgen receptor through virtual screening. 2. development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole derivatives. | J Med Chem 56: 1136-48 (2013) | University of British Columbia | 2D 3D TSV |
23301527 | 97 | Design, synthesis, and pharmacological characterization of N- and O-substituted 5,6,7,8-tetrahydro-4H-isoxazolo[4,5-d]azepin-3-ol analogues: novel 5-HT(2A)/5-HT(2C) receptor agonists with pro-cognitive properties. | J Med Chem 56: 1211-27 (2013) | University of Copenhagen | 2D 3D TSV |
23298810 | 34 | Synthesis and biological evaluation of substituted benzoxazoles as inhibitors of mPGES-1: use of a conformation-based hypothesis to facilitate compound design. | Bioorg Med Chem Lett 23: 1120-6 (2013) | Pfizer Inc | 2D 3D TSV |
23298277 | 26 | Design and synthesis of potent inhibitor of apoptosis (IAP) proteins antagonists bearing an octahydropyrrolo[1,2-a]pyrazine scaffold as a novel proline mimetic. | J Med Chem 56: 1228-46 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23298236 | 6 | Novel P2 tris-tetrahydrofuran group in antiviral compound 1 (GRL-0519) fills the S2 binding pocket of selected mutants of HIV-1 protease. | J Med Chem 56: 1074-83 (2013) | Georgia State University | 2D 3D TSV |
23294830 | 88 | Discovery of INT131: a selective PPAR¿ modulator that enhances insulin sensitivity. | Bioorg Med Chem 21: 979-92 (2013) | Amgen Inc | 2D 3D TSV |
23294829 | 14 | Synthesis of gatifloxacin derivatives and their biological activities against Mycobacterium leprae and Mycobacterium tuberculosis. | Bioorg Med Chem 21: 948-56 (2013) | Universit£ Paris Diderot | 2D 3D TSV |
23294828 | 17 | Structure-activity relationship of benzodiazepine derivatives as LXXLL peptide mimetics that inhibit the interaction of vitamin D receptor with coactivators. | Bioorg Med Chem 21: 993-1005 (2013) | The University of Tokyo | 2D 3D TSV |
23294826 | 1 | Further characterization of a putative serine protease contributing to the¿-secretase cleavage ofß-amyloid precursor protein. | Bioorg Med Chem 21: 1018-29 (2013) | University of Montpellier | 2D 3D TSV |
23294702 | 6 | Synthesis and biological evaluation of 1-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)-1,2,3-triazoles as transforming growth factor-ß type 1 receptor kinase inhibitors. | Bioorg Med Chem Lett 23: 1083-6 (2013) | Ewha Womans University | 2D 3D TSV |
23294701 | 49 | A novel series of N-(azetidin-3-yl)-2-(heteroarylamino)acetamide CCR2 antagonists. | Bioorg Med Chem Lett 23: 1063-9 (2013) | Janssen Research and Development LLC | 2D 3D TSV |
23294698 | 8 | Discovery of novel 1,4-dihydropyridine-based PDE4 inhibitors. | Bioorg Med Chem Lett 23: 1104-9 (2013) | University of Hyderabad Campus | 2D 3D TSV |
23294348 | 66 | Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors. | J Med Chem 56: 1160-70 (2013) | Merck Serono | 2D 3D TSV |
23294321 | 2 | Discovery of a potent and selective free fatty acid receptor 1 agonist with low lipophilicity and high oral bioavailability. | J Med Chem 56: 982-92 (2013) | University of Southern Denmark | 2D 3D TSV |
23294255 | 114 | Development of new cyclic plasmin inhibitors with excellent potency and selectivity. | J Med Chem 56: 820-31 (2013) | Philipps University Marburg | 2D 3D TSV |
23294220 | 5 | Attenuating Staphylococcus aureus virulence gene regulation: a medicinal chemistry perspective. | J Med Chem 56: 1389-404 (2013) | University of Nottingham | 2D 3D TSV |
23294161 | 11 | Synthesis and biological evaluation of 4-(aminomethyl)-1-hydroxypyrazole analogues of muscimol as¿-aminobutyric acid(a) receptor agonists. | J Med Chem 56: 993-1006 (2013) | University of Copenhagen | 2D 3D TSV |
23293738 | 2 | Polyamine-based small molecule epigenetic modulators. | Medchemcomm 3: 14-21 (2012) | Wayne State University | 2D 3D TSV |
23291120 | 2 | Synthesis and biological evaluation of novel coumarin-pyrazoline hybrids endowed with phenylsulfonyl moiety as antitumor agents. | Eur J Med Chem 60: 187-98 (2013) | Cairo University | 2D 3D TSV |
23290254 | 92 | Carbonic anhydrase inhibitors: benzenesulfonamides incorporating cyanoacrylamide moieties are low nanomolar/subnanomolar inhibitors of the tumor-associated isoforms IX and XII. | Bioorg Med Chem 21: 1396-403 (2013) | Salman Bin Abdulaziz University | 2D 3D TSV |
23288867 | 2 | Regiospecificity and stereospecificity of human UDP-glucuronosyltransferases in the glucuronidation of estriol, 16-epiestriol, 17-epiestriol, and 13-epiestradiol. | Drug Metab Dispos 41: 582-91 (2013) | University of Helsinki | 2D 3D TSV |
23287738 | 73 | SAR analysis of novel non-peptidic NPBWR1 (GPR7) antagonists. | Bioorg Med Chem Lett 23: 614-9 (2013) | The Scripps Research Institute | 2D 3D TSV |
23287057 | 1 | Discovery of coumarin-monastrol hybrid as potential antibreast tumor-specific agent. | Eur J Med Chem 60: 120-7 (2013) | CSIR-Central Drug Research Institute | 2D 3D TSV |
23287055 | 20 | An unprecedented reversible mode of action ofß-lactams for the inhibition of human fatty acid amide hydrolase (hFAAH). | Eur J Med Chem 60: 101-11 (2013) | Universit£ Catholique de Louvain | 2D 3D TSV |
23287054 | 46 | Sulphonamides: Deserving class as MMP inhibitors? | Eur J Med Chem 60: 89-100 (2013) | Indian Institute of Technology (BHU) | 2D 3D TSV |
23286832 | 34 | Identification and characterization of small molecules as potent and specific EPAC2 antagonists. | J Med Chem 56: 952-62 (2013) | University of Texas Medical Branch | 2D 3D TSV |
23286787 | 18 | Structural characterization of amorfrutins bound to the peroxisome proliferator-activated receptor¿. | J Med Chem 56: 1535-43 (2013) | Helmholtz Centre for Infection Research | 2D 3D TSV |
23286284 | 50 | Modulation of esterified drug metabolism by tanshinones from Salvia miltiorrhiza ("Danshen"). | J Nat Prod 76: 36-44 (2013) | St. Jude Children's Research Hospital | 2D 3D TSV |
23286196 | 60 | Discovery of 5-benzyl-3-phenyl-4,5-dihydroisoxazoles and 5-benzyl-3-phenyl-1,4,2-dioxazoles as potent firefly luciferase inhibitors. | J Med Chem 56: 1064-73 (2013) | University of Eastern Finland | 2D 3D TSV |
23284082 | 2 | Amide hydrolysis of a novel chemical series of microsomal prostaglandin E synthase-1 inhibitors induces kidney toxicity in the rat. | Drug Metab Dispos 41: 634-41 (2013) | AstraZeneca | 2D 3D TSV |
23281966 | 8 | Systematic exploration of dual-acting modulators from a combined medicinal chemistry and biology perspective. | J Med Chem 56: 1197-210 (2013) | AstraZeneca | 2D 3D TSV |
23281927 | 18 | Tuning the preference of thiodigalactoside- and lactosamine-based ligands to galectin-3 over galectin-1. | J Med Chem 56: 1350-4 (2013) | Utrecht University | 2D 3D TSV |
23281824 | 118 | Synthesis of (E)-8-(3-chlorostyryl)caffeine analogues leading to 9-deazaxanthine derivatives as dual A(2A) antagonists/MAO-B inhibitors. | J Med Chem 56: 1247-61 (2013) | Universit£ degli Studi di Parma | 2D 3D TSV |
23281812 | 95 | Tetrahydropyrroloquinolinone type dual inhibitors of aromatase/aldosterone synthase as a novel strategy for breast cancer patients with elevated cardiovascular risks. | J Med Chem 56: 460-70 (2013) | Saarland University & Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
23279866 | 69 | Antidepressant and antipsychotic activity of new quinoline- and isoquinoline-sulfonamide analogs of aripiprazole targeting serotonin 5-HT1A/5-HT2A/5-HT7 and dopamine D2/D3 receptors. | Eur J Med Chem 60: 42-50 (2013) | Jagiellonian University Medical College | 2D 3D TSV |
23279865 | 3 | Structure-based design, synthesis and evaluation of novel anthra[1,2-d]imidazole-6,11-dione derivatives as telomerase inhibitors and potential for cancer polypharmacology. | Eur J Med Chem 60: 29-41 (2013) | National Defense Medical Center | 2D 3D TSV |
23279864 | 16 | Synthesis, molecular modeling and biological evaluation of 2-aminomethyl-5-(quinolin-2-yl)-1,3,4-oxadiazole-2(3H)-thione quinolone derivatives as novel anticancer agent. | Eur J Med Chem 60: 23-8 (2013) | Shandong University of Technology | 2D 3D TSV |
23279862 | 1 | Microwave-assisted synthesis of pyrimido[4,5-b][1,6]naphthyridin-4(3H)-ones with potential antitumor activity. | Eur J Med Chem 60: 1-9 (2013) | Universidad del Valle | 2D 3D TSV |
23279802 | 15 | Synthesis and Quantum Chemical Studies of New 4-aminoquinazoline Derivatives as Aurora A/B Kinase Inhibitors. | Chem Biol Drug Des 81: 399-407 (2013) | Southeast University | 2D 3D TSV |
23276831 | 11 | Additional acetyl cholinesterase inhibitory property of diaryl pyrazoline derivatives. | Bioorg Med Chem Lett 23: 702-5 (2013) | Birla Institute of Technology | 2D 3D TSV |
23276450 | 6 | Small-molecular, non-peptide, non-ATP-competitive polo-like kinase 1 (Plk1) inhibitors with a terphenyl skeleton. | Bioorg Med Chem 21: 608-17 (2013) | The University of Tokyo | 2D 3D TSV |
23276449 | 1 | Synthesis and biological evaluation of halogenated curcumin analogs as potential nuclear receptor selective agonists. | Bioorg Med Chem 21: 693-702 (2013) | Arizona State University | 2D 3D TSV |
23276448 | 46 | Design, synthesis, and structure-activity relationship (SAR) of N-[7-(4-hydroxyphenoxy)-6-methylindan-4-yl]malonamic acids as thyroid hormone receptorß (TRß) selective agonists. | Bioorg Med Chem 21: 592-607 (2013) | Kissei Pharmaceutical Co., Ltd | 2D 3D TSV |
23276447 | 7 | A formyl peptide substituted with a conformationally constrained phenylalanine residue evokes a selective immune response in human neutrophils. | Bioorg Med Chem 21: 668-75 (2013) | Saga University | 2D 3D TSV |
23275831 | 121 | Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinases (ROCK1 and 2). | Medchemcomm 3: 699-709 (2012) | Moffitt Cancer Center | 2D 3D TSV |
23275802 | 32 | Novel bivalent ligands for D2/D3 dopamine receptors: Significant co-operative gain in D2 affinity and potency. | ACS Med Chem Lett 3: 991-996 (2012) | TBA | 2D 3D TSV |
23275348 | 8 | The naphthoquinone diospyrin is an inhibitor of DNA gyrase with a novel mechanism of action. | J Biol Chem 288: 5149-56 (2013) | John Innes Centre | 2D 3D TSV |
23273608 | 20 | Design, synthesis and evaluation of novel heterodimers of donepezil and huperzine fragments as acetylcholinesterase inhibitors. | Bioorg Med Chem 21: 676-83 (2013) | The Hong Kong University of Science and Technology | 2D 3D TSV |
23273607 | 5 | Recent development of potent analogues of oxazolidinone antibacterial agents. | Bioorg Med Chem 21: 577-91 (2013) | National Medicines Institute | 2D 3D TSV |
23273606 | 64 | Design, synthesis, and structure-activity relationships of a series of 4-benzyl-5-isopropyl-1H-pyrazol-3-ylß-D-glycopyranosides substituted with novel hydrophilic groups as highly potent inhibitors of sodium glucose co-transporter 1 (SGLT1). | Bioorg Med Chem 21: 748-65 (2013) | Kissei Pharmaceutical Company | 2D 3D TSV |
23273520 | 93 | Ligand-based discovery of N-(1,3-dioxo-1H,3H-benzo[de]isochromen-5-yl)-carboxamide and sulfonamide derivatives as thymidylate synthase A inhibitors. | Bioorg Med Chem Lett 23: 663-8 (2013) | Universit£ degli Studi di Modena e Reggio Emilia | 2D 3D TSV |
23273517 | 53 | Synthesis and biological evaluation of analogues of the kinase inhibitor nilotinib as Abl and Kit inhibitors. | Bioorg Med Chem Lett 23: 682-6 (2013) | National Center for Advancing Translational Sciences | 2D 3D TSV |
23273219 | 17 | Synthesis, molecular modeling and evaluation of novel N'-2-(4-benzylpiperidin-/piperazin-1-yl)acylhydrazone derivatives as dual inhibitors for cholinesterases and Aß aggregation. | Bioorg Med Chem Lett 23: 440-3 (2012) | Baskent University | 2D 3D TSV |
23270988 | 4 | Carbon-11 N-methyl alkylation of L-368,899 and in vivo PET imaging investigations for neural oxytocin receptors. | Bioorg Med Chem Lett 23: 902-6 (2013) | Yerkes National Primate Research Center | 2D 3D TSV |
23270382 | 100 | Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity. | J Med Chem 56: 241-53 (2013) | University of T£bingen | 2D 3D TSV |
23268742 | 11 | Bioassay-guided isolation of proanthocyanidins with antiangiogenic activities. | J Nat Prod 76: 29-35 (2013) | Universit£ degli Studi di Salerno | 2D 3D TSV |
23266186 | 9 | Inhibitory effect of novel somatostatin peptide analogues on human cancer cell growth based on the selective inhibition of DNA polymeraseß. | Bioorg Med Chem 21: 403-11 (2012) | Kobe Gakuin University | 2D 3D TSV |
23266178 | 115 | Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV. | Bioorg Med Chem 21: 1410-8 (2013) | National University of La Plata | 2D 3D TSV |
23266177 | 5 | Chemical, biochemical and microbiological properties of a brominated nitrovinylfuran with broad-spectrum antibacterial activity. | Bioorg Med Chem 21: 795-804 (2013) | Heidelberg University | 2D 3D TSV |
23266122 | 47 | Novel benzoxazole inhibitors of mPGES-1. | Bioorg Med Chem Lett 23: 907-11 (2013) | Pfizer Inc | 2D 3D TSV |
23266121 | 1 | Lead optimization of novel p53-MDM2 interaction inhibitors possessing dihydroimidazothiazole scaffold. | Bioorg Med Chem Lett 23: 728-32 (2013) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
23266120 | 14 | Epidithiodiketopiperazine as a pharmacophore for protein lysine methyltransferase G9a inhibitors: reducing cytotoxicity by structural simplification. | Bioorg Med Chem Lett 23: 733-6 (2013) | RIKEN Advanced Science Institute | 2D 3D TSV |
23265905 | 9 | Design and synthesis of novel 2-methyl-4,5-substitutedbenzo[f]-3,3a,4,5-tetrahydro-pyrazolo[1,5-d][1,4]oxazepin-8(7H)-one derivatives as telomerase inhibitors. | Bioorg Med Chem Lett 23: 720-3 (2013) | Guizhou University | 2D 3D TSV |
23265904 | 54 | Discovery of liver-targeted inhibitors of stearoyl-CoA desaturase (SCD1). | Bioorg Med Chem Lett 23: 791-6 (2013) | Merck Research Laboratories | 2D 3D TSV |
23265903 | 9 | Inhibition of theß-carbonic anhydrases from Mycobacterium tuberculosis with C-cinnamoyl glycosides: identification of the first inhibitor with anti-mycobacterial activity. | Bioorg Med Chem Lett 23: 740-3 (2013) | Universidad Nacional de Rosario | 2D 3D TSV |
23265902 | 48 | A-ring modification of SCH 900229 and related chromene sulfone ?-secretase inhibitors. | Bioorg Med Chem Lett 23: 850-3 (2013) | Merck Research Laboratories | 2D 3D TSV |
23265901 | 22 | Synthesis and evaluation of 8-oxoadenine derivatives as potent Toll-like receptor 7 agonists with high water solubility. | Bioorg Med Chem Lett 23: 669-72 (2013) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
23265898 | 20 | Novel small molecule protein arginine deiminase 4 (PAD4) inhibitors. | Bioorg Med Chem Lett 23: 715-9 (2013) | Universit£ degli Studi di Firenze | 2D 3D TSV |
23265896 | 36 | Regioselective synthesis of 5- and 6-methoxybenzimidazole-1,3,5-triazines as inhibitors of phosphoinositide 3-kinase. | Bioorg Med Chem Lett 23: 802-5 (2013) | Monash Institute of Pharmaceutical Sciences | 2D 3D TSV |
23265894 | 40 | Cis-amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase. | Bioorg Med Chem Lett 23: 897-901 (2013) | Genentech Inc | 2D 3D TSV |
23265893 | 7 | Heterobivalent dual-target probe for targeting GRP and Y1 receptors on tumor cells. | Bioorg Med Chem Lett 23: 687-92 (2013) | The Ohio State University | 2D 3D TSV |
23265892 | 54 | Structure activity relationship studies of tricyclic bispyran sulfone ?-secretase inhibitors. | Bioorg Med Chem Lett 23: 844-9 (2013) | Merck Research Laboratories | 2D 3D TSV |
23265889 | 31 | Lead optimization of a dihydropyrrolopyrimidine inhibitor against phosphoinositide 3-kinase (PI3K) to improve the phenol glucuronic acid conjugation. | Bioorg Med Chem Lett 23: 673-8 (2013) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
23265885 | 30 | Synthesis of new N-(arylcyclopropyl)acetamides and N-(arylvinyl)acetamides as conformationally-restricted ligands for melatonin receptors. | Bioorg Med Chem Lett 23: 430-4 (2012) | Paris-Sud University | 2D 3D TSV |
23265881 | 49 | Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-¿. | Bioorg Med Chem Lett 23: 767-72 (2013) | Pfizer Inc | 2D 3D TSV |
23265880 | 8 | A new single-photon emission computed tomography (SPECT) imaging agent for serotonin transporters: [(125)I]Flip-IDAM, (2-((2-((dimethylamino)methyl)-4-iodophenyl)thio)phenyl)methanol. | Bioorg Med Chem Lett 23: 869-72 (2013) | University of Pennsylvania | 2D 3D TSV |
23265878 | 31 | Lead optimization of isocytosine-derived xanthine oxidase inhibitors. | Bioorg Med Chem Lett 23: 834-8 (2013) | Piramal Healthcare Limited | 2D 3D TSV |
23265875 | 78 | Design and synthesis of tricyclic cores for kinase inhibition. | Bioorg Med Chem Lett 23: 693-8 (2013) | Abbott Bioresearch Center | 2D 3D TSV |
23265874 | 1 | Near native binding of a fluorescent serotonin conjugate to serotonin type 3 receptors. | Bioorg Med Chem Lett 23: 773-5 (2013) | Washington State University | 2D 3D TSV |
23265844 | 18 | The discovery of novel isoflavone pan peroxisome proliferator-activated receptor agonists. | Bioorg Med Chem 21: 766-78 (2013) | The University of Sydney | 2D 3D TSV |
23262035 | 14 | Synthesis, crystal structure and antidiabetic activity of substituted (E)-3-(Benzo [d]thiazol-2-ylamino) phenylprop-2-en-1-one. | Eur J Med Chem 59: 304-9 (2013) | North Maharashtra University | 2D 3D TSV |
23260576 | 1 | Enhanced bioactivity of silybin B methylation products. | Bioorg Med Chem 21: 742-7 (2013) | University of North Carolina at Greensboro | 2D 3D TSV |
23260350 | 49 | Identification of benzofuran central cores for the inhibition of leukotriene A(4) hydrolase. | Bioorg Med Chem Lett 23: 811-5 (2013) | Janssen Research and Development LLC | 2D 3D TSV |
23260349 | 51 | Discovery and SAR of PF-4693627, a potent, selective and orally bioavailable mPGES-1 inhibitor for the potential treatment of inflammation. | Bioorg Med Chem Lett 23: 1114-9 (2013) | Pfizer Inc | 2D 3D TSV |
23260348 | 91 | Discovery of a new series of [1,2,4]triazolo[4,3-a]quinoxalines as dual phosphodiesterase 2/phosphodiesterase 10 (PDE2/PDE10) inhibitors. | Bioorg Med Chem Lett 23: 785-90 (2013) | Janssen-Cilag S.A. | 2D 3D TSV |
23260347 | 58 | Synthesis and evaluation of diphenylphosphinic amides and diphenylphosphine oxides as inhibitors of Kv1.5. | Bioorg Med Chem Lett 23: 706-10 (2013) | AstraZeneca | 2D 3D TSV |
23259865 | 51 | Synthesis and biological evaluation of indenoisoquinolines that inhibit both tyrosyl-DNA phosphodiesterase I (Tdp1) and topoisomerase I (Top1). | J Med Chem 56: 182-200 (2013) | Purdue University | 2D 3D TSV |
23259031 | 2 | Synthesis and Biological Evaluation of a Biotinylated Paclitaxel With an Extra-Long Chain Spacer Arm. | ACS Med Chem Lett 3: 745-748 (2012) | University of Minnesota | 2D 3D TSV |
23256554 | 16 | Synthesis, pharmacology, and biostructural characterization of novela4ß2 nicotinic acetylcholine receptor agonists. | J Med Chem 56: 940-51 (2013) | University of Copenhagen | 2D 3D TSV |
23256532 | 2 | Structural-functional studies of Burkholderia cenocepacia D-glycero-ß-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties. | J Med Chem 56: 1405-17 (2013) | McMaster University | 2D 3D TSV |
23256033 | 29 | A Potent and Selective Quinoxalinone-Based STK33 Inhibitor Does Not Show Synthetic Lethality in KRAS-Dependent Cells. | ACS Med Chem Lett 3: 1034-1038 (2012) | TBA | 2D 3D TSV |
23253443 | 135 | Design, optimization, and in vivo evaluation of a series of pyridine derivatives with dual NK1 antagonism and SERT inhibition for the treatment of depression. | Bioorg Med Chem Lett 23: 407-11 (2012) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
23253441 | 3 | The discovery of fused oxadiazepines as gamma secretase modulators for treatment of Alzheimer's disease. | Bioorg Med Chem Lett 23: 466-71 (2012) | Merck Research Laboratory | 2D 3D TSV |
23253074 | 38 | Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography. | J Med Chem 56: 84-96 (2013) | University of Zurich | 2D 3D TSV |
23252794 | 56 | Structure-activity relationships in 1,4-benzodioxan-related compounds. 11. (1) reversed enantioselectivity of 1,4-dioxane derivatives ina1-adrenergic and 5-HT1A receptor binding sites recognition. | J Med Chem 56: 584-8 (2013) | University of Camerino | 2D 3D TSV |
23252745 | 86 | Development of new cathepsin B inhibitors: combining bioisosteric replacements and structure-based design to explore the structure-activity relationships of nitroxoline derivatives. | J Med Chem 56: 521-33 (2013) | University of Ljubljana | 2D 3D TSV |
23252711 | 46 | Comparative structural and functional studies of 4-(thiazol-5-yl)-2-(phenylamino)pyrimidine-5-carbonitrile CDK9 inhibitors suggest the basis for isotype selectivity. | J Med Chem 56: 660-70 (2013) | University of Oxford | 2D 3D TSV |
23252603 | 35 | Histone deacetylase (HDAC) inhibitors with a novel connecting unit linker region reveal a selectivity profile for HDAC4 and HDAC5 with improved activity against chemoresistant cancer cells. | J Med Chem 56: 427-36 (2013) | Heinrich Heine Universit£t | 2D 3D TSV |
23249297 | 75 | Trimeric hemibastadin congener from the marine sponge Ianthella basta. | J Nat Prod 76: 121-5 (2013) | Heinrich-Heine University | 2D 3D TSV |
23246356 | 52 | MMP inhibition by barbiturate homodimers. | Bioorg Med Chem Lett 23: 444-7 (2012) | Trinity College | 2D 3D TSV |
23246324 | 2 | Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages. | Bioorg Med Chem Lett 23: 579-83 (2012) | Korea University | 2D 3D TSV |
23245804 | 17 | Synthesis and preliminary evaluation of pharmacological properties of some piperazine derivatives of xanthone. | Bioorg Med Chem 21: 514-22 (2013) | Jagiellonian University Medical College | 2D 3D TSV |
23245803 | 87 | Synthesis and structure-activity relationships of 2-hydrazinyladenosine derivatives as A(2A) adenosine receptor ligands. | Bioorg Med Chem 21: 436-47 (2012) | University of Bonn | 2D 3D TSV |
23245802 | 7 | Synthesis, molecular docking and evaluation of thiazolyl-pyrazoline derivatives containing benzodioxole as potential anticancer agents. | Bioorg Med Chem 21: 448-55 (2012) | Nanjing University | 2D 3D TSV |
23245571 | 30 | New structure-activity relationship studies in a series of N,N-bis(cyclohexanol)amine aryl esters as potent reversers of P-glycoprotein-mediated multidrug resistance (MDR). | Bioorg Med Chem 21: 456-65 (2013) | Universit£ di Firenze | 2D 3D TSV |
23245570 | 22 | Design, synthesis and molecular docking ofa,ß-unsaturated cyclohexanone analogous of curcumin as potent EGFR inhibitors with antiproliferative activity. | Bioorg Med Chem 21: 388-94 (2012) | Soochow University | 2D 3D TSV |
23245515 | 42 | Naphthyridinone (NTD) integrase inhibitors: N1 protio and methyl combination substituent effects with C3 amide groups. | Bioorg Med Chem Lett 23: 422-5 (2013) | GlaxoSmithKline Research & Development | 2D 3D TSV |
23245510 | 32 | Exploring amino acids derivatives as potent, selective, and direct agonists of sphingosine-1-phosphate receptor subtype-1. | Bioorg Med Chem Lett 23: 472-5 (2012) | Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline) | 2D 3D TSV |
23245311 | 112 | Alkylsulfanyl-1,2,4-triazoles, a new class of allosteric valosine containing protein inhibitors. Synthesis and structure-activity relationships. | J Med Chem 56: 437-50 (2013) | TBA | 2D 3D TSV |
23245208 | 91 | Discovery of piperazin-1-ylpyridazine-based potent and selective stearoyl-CoA desaturase-1 inhibitors for the treatment of obesity and metabolic syndrome. | J Med Chem 56: 568-83 (2013) | Xenon Pharmaceuticals Inc | 2D 3D TSV |
23244744 | 71 | Structure-based design of high-affinity macrocyclic peptidomimetics to block the menin-mixed lineage leukemia 1 (MLL1) protein-protein interaction. | J Med Chem 56: 1113-23 (2013) | University of Michigan | 2D 3D TSV |
23244564 | 114 | Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design. | J Med Chem 56: 15-30 (2013) | Vanderbilt University School of Medicine | 2D 3D TSV |
23243487 | 65 | Synthesis and SAR of 1-hydroxy-1H-benzo[d]imidazol-2(3H)-ones as Inhibitors of D-Amino Acid Oxidase. | ACS Med Chem Lett 3: 839-843 (2012) | TBA | 2D 3D TSV |
23241068 | 84 | Sulfocoumarins (1,2-benzoxathiine-2,2-dioxides): a class of potent and isoform-selective inhibitors of tumor-associated carbonic anhydrases. | J Med Chem 56: 293-300 (2013) | Latvian Association of Human Genetics | 2D 3D TSV |
23241029 | 176 | Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling. | J Med Chem 56: 781-95 (2013) | University of California | 2D 3D TSV |
23240776 | 44 | Synthesis and evaluation ofa-thymidine analogues as novel antimalarials. | J Med Chem 55: 10948-57 (2012) | University of Dundee | 2D 3D TSV |
23239555 | 36 | Boron-based inhibitors of acyl protein thioesterases 1 and 2. | Chembiochem 14: 115-22 (2013) | Technical University of Dortmund | 2D 3D TSV |
23237976 | 162 | Synthesis and biological evaluation of N-aryl-7-methoxybenzo[b]furo[3,2-d]pyrimidin-4-amines and their N-arylbenzo[b]thieno[3,2-d]pyrimidin-4-amine analogues as dual inhibitors of CLK1 and DYRK1A kinases. | Eur J Med Chem 59: 283-95 (2013) | Universit£ de Rouen | 2D 3D TSV |
23237839 | 23 | Isatin replacements applied to the highly selective, muscarinic M1 PAM ML137: continued optimization of an MLPCN probe molecule. | Bioorg Med Chem Lett 23: 412-6 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
23237838 | 1 | Synthesis and biological activity of aminophthalazines and aminopyridazines as novel inhibitors of PGE2 production in cells. | Bioorg Med Chem Lett 23: 528-31 (2012) | The University of Arizona | 2D 3D TSV |
23237837 | 14 | Identification of a novel arylpiperazine scaffold for fatty acid amide hydrolase inhibition with improved drug disposition properties. | Bioorg Med Chem Lett 23: 492-5 (2012) | Universit£ degli Studi di Siena | 2D 3D TSV |
23237836 | 79 | Synthesis and SAR of aminothiazole fused benzazepines as selective dopamine D2 partial agonists. | Bioorg Med Chem Lett 23: 543-7 (2012) | AstraZeneca | 2D 3D TSV |
23237835 | 46 | Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors. | Bioorg Med Chem Lett 23: 417-21 (2012) | Columbia University | 2D 3D TSV |
23237384 | 9 | Sulfonylureas have antifungal activity and are potent inhibitors of Candida albicans acetohydroxyacid synthase. | J Med Chem 56: 210-9 (2013) | The University of Queensland | 2D 3D TSV |
23234607 | 17 | Reporter ligand NMR screening method for 2-oxoglutarate oxygenase inhibitors. | J Med Chem 56: 547-55 (2013) | University of Oxford | 2D 3D TSV |
23234271 | 74 | Design and synthesis of diazatricyclodecane agonists of the G-protein-coupled receptor 119. | J Med Chem 56: 301-19 (2013) | Pfizer Inc | 2D 3D TSV |
23232060 | 31 | Discovery of 4-phenyl-2-phenylaminopyridine based TNIK inhibitors. | Bioorg Med Chem Lett 23: 569-73 (2012) | Astex Pharmaceuticals Inc | 2D 3D TSV |
23232056 | 16 | Small molecule amides as potent ROR-¿ selective modulators. | Bioorg Med Chem Lett 23: 532-6 (2012) | The Scripps Research Institute | 2D 3D TSV |
23231967 | 23 | Selective and potent adenosine A3 receptor antagonists by methoxyaryl substitution on the N-(2,6-diarylpyrimidin-4-yl)acetamide scaffold. | Eur J Med Chem 59: 235-42 (2013) | University of Santiago de Compostela | 2D 3D TSV |
23231413 | 22 | An optimized RAD51 inhibitor that disrupts homologous recombination without requiring Michael acceptor reactivity. | J Med Chem 56: 254-63 (2013) | University of Chicago | 2D 3D TSV |
23231076 | 30 | Coumarin-based inhibitors of Bacillus anthracis and Staphylococcus aureus replicative DNA helicase: chemical optimization, biological evaluation, and antibacterial activities. | J Med Chem 55: 10896-908 (2012) | Microbiotix Inc | 2D 3D TSV |
23230954 | 17 | Synthesis and biological evaluation of novel series of aminopyrimidine derivatives as urease inhibitors and antimicrobial agents. | J Enzyme Inhib Med Chem 28: 1316-23 (2013) | Solapur University | 2D 3D TSV |
23228808 | 22 | Development of substituted N-[3-(3-methoxylphenyl)propyl] amides as MT(2)-selective melatonin agonists: improving metabolic stability. | Bioorg Med Chem 21: 547-52 (2012) | Hong Kong University of Science and Technology | 2D 3D TSV |
23227781 | 119 | Discovery of agonists of cannabinoid receptor 1 with restricted central nervous system penetration aimed for treatment of gastroesophageal reflux disease. | J Med Chem 56: 220-40 (2013) | AstraZeneca | 2D 3D TSV |
23220646 | 21 | Design and synthesis of novel benzoheterocyclic derivatives as human acrosin inhibitors by scaffold hopping. | Eur J Med Chem 59: 176-82 (2013) | Second Military Medical University | 2D 3D TSV |
23220644 | 50 | Optimization of 5-hydroxytryptamines as dual function inhibitors targeting phospholipase A2 and leukotriene A4 hydrolase. | Eur J Med Chem 59: 160-7 (2013) | Peking University | 2D 3D TSV |
23220642 | 30 | Novel soluble myeloid cell leukemia sequence 1 (Mcl-1) inhibitor (E,E)-2-(benzylaminocarbonyl)-3-styrylacrylonitrile (4g) developed using a fragment-based approach. | Eur J Med Chem 59: 141-9 (2013) | Dalian University of Technology | 2D 3D TSV |
23220641 | 5 | Sirtuins as emerging anti-parasitic targets. | Eur J Med Chem 59: 132-40 (2013) | Jiangsu University | 2D 3D TSV |
23219856 | 7 | Synthesis and biological evaluation of some 5-arylidene-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-ones as dual anti-inflammatory/antimicrobial agents. | Bioorg Med Chem 21: 532-9 (2012) | Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki | 2D 3D TSV |
23219701 | 1 | Discovery of alkenylboronic acids as neuroprotective agents affecting multiple biological targets involved in Alzheimer's disease. | Bioorg Med Chem Lett 23: 426-9 (2012) | Universidad Complutense | 2D 3D TSV |
23219325 | 36 | Novel cinnoline-based inhibitors of LRRK2 kinase activity. | Bioorg Med Chem Lett 23: 71-4 (2012) | Elan Pharmaceuticals | 2D 3D TSV |
23219324 | 42 | Inhibitory effects of metachromins L-Q and its related analogs against receptor tyrosine kinases EGFR and HER2. | Bioorg Med Chem Lett 23: 117-8 (2013) | Hokkaido University | 2D 3D TSV |
23218778 | 49 | Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors. | Bioorg Med Chem 21: 28-41 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23218776 | 45 | Discovery of novela1-adrenoceptor ligands based on the antipsychotic sertindole suitable for labeling as PET ligands. | Bioorg Med Chem 21: 196-204 (2012) | H. Lundbeck A/S | 2D 3D TSV |
23218775 | 38 | A novel, potent, and orally active VLA-4 antagonist with good aqueous solubility: trans-4-[1-[[2-(5-Fluoro-2-methylphenylamino)-7-fluoro-6-benzoxazolyl]acetyl]-(5S)-[methoxy(methyl)amino]methyl-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid. | Bioorg Med Chem 21: 42-61 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
23218716 | 20 | Indoleamine 2,3-dioxygenase inhibitory activity of derivatives of marine alkaloid tsitsikammamine A. | Bioorg Med Chem Lett 23: 47-54 (2012) | University of Namur | 2D 3D TSV |
23218715 | 36 | The discovery of potent and selective 4-aminothienopyridines as B-Raf kinase inhibitors. | Bioorg Med Chem Lett 23: 66-70 (2012) | GlaxoSmithKline | 2D 3D TSV |
23218714 | 14 | Development of an in vivo active, dual EP1 and EP3 selective antagonist based on a novel acyl sulfonamide bioisostere. | Bioorg Med Chem Lett 23: 37-41 (2012) | Vanderbilt University School of Medicine | 2D 3D TSV |
23218712 | 29 | Discovery of a novel phenylethyl benzamide glucokinase activator for the treatment of type 2 diabetes mellitus. | Bioorg Med Chem Lett 23: 537-42 (2012) | Yuhan Research Institute | 2D 3D TSV |
23218605 | 17 | Novel peptidomimetics as BACE-1 inhibitors: synthesis, molecular modeling, and biological studies. | Bioorg Med Chem Lett 23: 85-9 (2012) | Universit£ degli Studi di Siena | 2D 3D TSV |
23218604 | 30 | Synthesis and evaluation of novel ligands for the histamine H4 receptor based on a pyrrolo[2,3-d]pyrimidine scaffold. | Bioorg Med Chem Lett 23: 132-7 (2012) | KU Leuven | 2D 3D TSV |
23218602 | 14 | Fragment-based discovery of novel and selective mPGES-1 inhibitors Part 1: identification of sulfonamido-1,2,3-triazole-4,5-dicarboxylic acid. | Bioorg Med Chem Lett 23: 75-80 (2012) | Kyung Hee University | 2D 3D TSV |
23218601 | 100 | Potent inhibitors of CDK5 derived from roscovitine: synthesis, biological evaluation and molecular modelling. | Bioorg Med Chem Lett 23: 125-31 (2012) | University of Paris | 2D 3D TSV |
23218470 | 24 | Facile synthesis and characterization of novel pyrazole-sulfonamides and their inhibition effects on human carbonic anhydrase isoenzymes. | Bioorg Med Chem 21: 21-7 (2012) | Dumlupinar University | 2D 3D TSV |
23217961 | 2 | Structure-activity relationship study on benzoic acid part of diphenylamine-based retinoids. | Bioorg Med Chem Lett 23: 81-4 (2013) | Tohoku Pharmaceutical University | 2D 3D TSV |
23217060 | 13 | Virtual Screening of CB2 Receptor Agonists from Bayesian Network and High-Throughput Docking: Structural Insights into Agonist-Modulated GPCR Features. | Chem Biol Drug Des 81: 442-454 (2013) | Laboratoire de Chimie Thérapeutique | 2D 3D TSV |
23214979 | 74 | 3-Amido pyrrolopyrazine JAK kinase inhibitors: development of a JAK3 vs JAK1 selective inhibitor and evaluation in cellular and in vivo models. | J Med Chem 56: 345-56 (2013) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
23214944 | 16 | Peptide-conjugated pterins as inhibitors of ricin toxin A. | J Med Chem 56: 320-9 (2013) | Toho University | 2D 3D TSV |
23214511 | 4 | Radiosynthesis and evaluation of [¹¹C-carbonyl]-labeled carbamates as fatty acid amide hydrolase radiotracers for positron emission tomography. | J Med Chem 56: 201-9 (2013) | Centre for Addiction and Mental Health | 2D 3D TSV |
23214499 | 24 | 3,6-Diamino-4-(2-halophenyl)-2-benzoylthieno[2,3-b]pyridine-5-carbonitriles are selective inhibitors of Plasmodium falciparum glycogen synthase kinase-3. | J Med Chem 56: 264-75 (2013) | Technische Universit£t Braunschweig | 2D 3D TSV |
23214471 | 56 | Discovery of 6,7-dihydro-5H-pyrrolo[2,3-a]pyrimidines as orally available G protein-coupled receptor 119 agonists. | J Med Chem 55: 10972-94 (2012) | GlaxoSmithKline | 2D 3D TSV |
23211968 | 7 | Synthesis and biological evaluation of novel propargyl amines as potential fluorine-18 labeled radioligands for detection of MAO-B activity. | Bioorg Med Chem 21: 186-95 (2012) | Karolinska Institutet | 2D 3D TSV |
23211099 | 4 | Identification of new potent GPR119 agonists by combining virtual screening and combinatorial chemistry. | J Med Chem 55: 11031-41 (2012) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
23207411 | 18 | Synthesis and biological evaluation of a new series of phenothiazine-containing protein farnesyltransferase inhibitors. | Eur J Med Chem 59: 101-10 (2013) | Al. I. Cuza University of Iasi | 2D 3D TSV |
23207410 | 42 | 1,5-Diphenylpenta-2,4-dien-1-ones as potent and selective monoamine oxidase-B inhibitors. | Eur J Med Chem 59: 91-100 (2013) | Sapienza University of Rome | 2D 3D TSV |
23207409 | 24 | Combining QSAR classification models for predictive modeling of human monoamine oxidase inhibitors. | Eur J Med Chem 59: 75-90 (2013) | Universidade do Porto | 2D 3D TSV |
23206987 | 66 | 3-Thiomorpholin-8-oxo-8H-acenaphtho [1,2-b] pyrrole-9-carbonitrile (S1) derivatives as pan-Bcl-2-inhibitors of Bcl-2, Bcl-xL and Mcl-1. | Bioorg Med Chem 21: 11-20 (2012) | Dalian University of Technology | 2D 3D TSV |
23206986 | 259 | QSAR studies of sulfamate and sulfamide inhibitors targeting human carbonic anhydrase isozymes I, II, IX and XII. | Bioorg Med Chem 21: 1404-9 (2013) | Romanian Academy | 2D 3D TSV |
23206867 | 12 | Design, synthesis and bioevalution of novel benzamides derivatives as HDAC inhibitors. | Bioorg Med Chem Lett 23: 179-82 (2012) | The General Hospital of Chinese People's Liberation Army | 2D 3D TSV |
23206863 | 7 | Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK). | Bioorg Med Chem Lett 23: 169-73 (2012) | AstraZeneca | 2D 3D TSV |
23206862 | 22 | Identification of a novel benzimidazole derivative as a highly potent NPY Y5 receptor antagonist with an anti-obesity profile. | Bioorg Med Chem Lett 23: 90-5 (2012) | Shionogi & Co., Ltd | 2D 3D TSV |
23206861 | 113 | Tetrahydro-ß-carboline derivatives targeting fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channels. | Bioorg Med Chem Lett 23: 138-42 (2012) | Sapienza University of Rome | 2D 3D TSV |
23202848 | 28 | Identification of novel chromenone derivatives as interleukin-5 inhibitors. | Eur J Med Chem 59: 31-8 (2013) | Chungnam National University | 2D 3D TSV |
23202846 | 4 | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases. | Eur J Med Chem 59: 1-6 (2013) | The Chinese University of Hong Kong | 2D 3D TSV |
23200256 | 54 | Discovery of N-[[1-[2-(tert-butylcarbamoylamino)ethyl]-4-(hydroxymethyl)-4-piperidyl]methyl]-3,5-dichloro-benzamide as a selective T-type calcium channel (Cav3.2) inhibitor. | Bioorg Med Chem Lett 23: 119-24 (2012) | AstraZeneca | 2D 3D TSV |
23200255 | 50 | Phosphodiesterase inhibitors. Part 5: hybrid PDE3/4 inhibitors as dual bronchorelaxant/anti-inflammatory agents for inhaled administration. | Bioorg Med Chem Lett 23: 375-81 (2012) | Kyorin Pharmaceutical Co., Ltd | 2D 3D TSV |
23200253 | 67 | Further exploration of M1 allosteric agonists: subtle structural changes abolish M1 allosteric agonism and result in pan-mAChR orthosteric antagonism. | Bioorg Med Chem Lett 23: 223-7 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
23200251 | 44 | Restoring catalytic activity to the human carbonic anhydrase (CA) related proteins VIII, X and XI affords isoforms with high catalytic efficiency and susceptibility to anion inhibition. | Bioorg Med Chem Lett 23: 256-60 (2012) | Kochi Medical School | 2D 3D TSV |
23200250 | 36 | The effect of 17-N substituents on the activity of the opioid¿ receptor in nalfurafine derivatives. | Bioorg Med Chem Lett 23: 268-72 (2012) | Kitasato University | 2D 3D TSV |
23200247 | 30 | Hybrid fluorescent conjugates of COX-2 inhibitors: search for a COX-2 isozyme imaging cancer biomarker. | Bioorg Med Chem Lett 23: 163-8 (2012) | University of Alberta | 2D 3D TSV |
23200243 | 5 | Fluorescent ligands for adenosine receptors. | Bioorg Med Chem Lett 23: 26-36 (2012) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
23199485 | 34 | Macrolactonolides: a novel class of anti-inflammatory compounds. | Bioorg Med Chem 21: 321-32 (2012) | GlaxoSmithKline | 2D 3D TSV |
23199483 | 25 | Glycosidic carbonic anhydrase IX inhibitors: a sweet approach against cancer. | Bioorg Med Chem 21: 1419-26 (2013) | Ecole Nationale Sup£rieure de Chimie de Montpellier | 2D 3D TSV |
23199482 | 1 | Ridaifen B, a tamoxifen derivative, directly binds to Grb10 interacting GYF protein 2. | Bioorg Med Chem 21: 311-20 (2012) | Tokyo University of Science | 2D 3D TSV |
23199481 | 7 | Synthesis and evaluation of 5'-modified thymidines and 5-hydroxymethyl-2'-deoxyuridines as Mycobacterium tuberculosis thymidylate kinase inhibitors. | Bioorg Med Chem 21: 257-68 (2012) | Ghent University | 2D 3D TSV |
23199480 | 22 | Chemical and microbial semi-synthesis of tetrahydroprotoberberines as inhibitors on tissue factor procoagulant activity. | Bioorg Med Chem 21: 62-9 (2012) | China Pharmaceutical University | 2D 3D TSV |
23199477 | 47 | Design, synthesis, and biological evaluation of 3-aryl-3-hydroxy-1-phenylpyrrolidine derivatives as novel androgen receptor antagonists. | Bioorg Med Chem 21: 70-83 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23199476 | 36 | Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase. | Bioorg Med Chem 21: 146-52 (2012) | Universit£ degli Studi di Bari Aldo Moro | 2D 3D TSV |
23199475 | 9 | Synthesis and biological evaluation of¹8F labeled fluoro-oligo-ethoxylated 4-benzylpiperazine derivatives for sigma-1 receptor imaging. | Bioorg Med Chem 21: 215-22 (2012) | Key Laboratory of Radiopharmaceuticals (Beijing Normal University) | 2D 3D TSV |
23199076 | 28 | Potent, selective, and orally bioavailable inhibitors of the mammalian target of rapamycin kinase domain exhibiting single agent antiproliferative activity. | J Med Chem 55: 10958-71 (2012) | Genentech | 2D 3D TSV |
23199028 | 1 | Synthesis, biological evaluation, and molecular modeling of glycyrrhizin derivatives as potent high-mobility group box-1 inhibitors with anti-heart-failure activity in vivo. | J Med Chem 56: 97-108 (2013) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
23195732 | 4 | Inhibition of the human deacylase Sirtuin 5 by the indole GW5074. | Bioorg Med Chem Lett 23: 143-6 (2012) | University of Bayreuth | 2D 3D TSV |
23194448 | 9 | Development of N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methyl-4-[11C]methylbenzamide for positron emission tomography imaging of metabotropic glutamate 1 receptor in monkey brain. | J Med Chem 55: 11042-51 (2012) | National Institute of Radiological Sciences | 2D 3D TSV |
23189967 | 17 | Discovery of salermide-related sirtuin inhibitors: binding mode studies and antiproliferative effects in cancer cells including cancer stem cells. | J Med Chem 55: 10937-47 (2012) | Sapienza University of Rome | 2D 3D TSV |
23189922 | 14 | Structure-activity relationship studies of orally active antimalarial 3,5-substituted 2-aminopyridines. | J Med Chem 55: 11022-30 (2012) | University of Cape Town | 2D 3D TSV |
23186307 | 2 | PPAR¿ agonist from Chromolaena odorata. | J Nat Prod 75: 2076-81 (2012) | Hebei Medical University | 2D 3D TSV |
23186287 | 1 | Design, synthesis, and biological evaluation of novel deguelin-based heat shock protein 90 (HSP90) inhibitors targeting proliferation and angiogenesis. | J Med Chem 55: 10863-84 (2012) | Seoul National University | 2D 3D TSV |
23182216 | 2 | Novel inhibitors of a Grb2 SH3C domain interaction identified by a virtual screen. | Bioorg Med Chem 21: 4027-33 (2013) | University of Oxford | 2D 3D TSV |
23182090 | 92 | Novel 2-aminooctahydrocyclopentalene-3a-carboxamides as potent CCR2 antagonists. | Bioorg Med Chem Lett 23: 351-4 (2012) | Janssen Research and Development LLC | 2D 3D TSV |
23181552 | 10 | DNA cloning, characterization, and inhibition studies of ana-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae. | J Med Chem 55: 10742-8 (2012) | Istituto di Biochimica delle Proteine-CNR | 2D 3D TSV |
23181502 | 57 | Cyanobacterial peptides as a prototype for the design of potentß-secretase inhibitors and the development of selective chemical probes for other aspartic proteases. | J Med Chem 55: 10749-65 (2012) | University of Florida | 2D 3D TSV |
23181168 | 13 | 3-Hydroxy-1-alkyl-2-methylpyridine-4(1H)-thiones: Inhibition of the Pseudomonas aeruginosa Virulence Factor LasB. | ACS Med Chem Lett 3: 668-672 (2012) | The Scripps Research Institute | 2D 3D TSV |
23177789 | 16 | Protein tyrosine phosphatase 1B inhibitory effect by dammarane-type triterpenes from hydrolyzate of total Gynostemma pentaphyllum saponins. | Bioorg Med Chem Lett 23: 297-300 (2012) | Shenyang Pharmaceutical University | 2D 3D TSV |
23177788 | 9 | From partial to full agonism: identification of a novel 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole as a full agonist of the human GPR119 receptor. | Bioorg Med Chem Lett 23: 194-7 (2012) | Pfizer Inc | 2D 3D TSV |
23177787 | 59 | Discovery of a selective M4 positive allosteric modulator based on the 3-amino-thieno[2,3-b]pyridine-2-carboxamide scaffold: development of ML253, a potent and brain penetrant compound that is active in a preclinical model of schizophrenia. | Bioorg Med Chem Lett 23: 346-50 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
23177785 | 1017 | QSAR investigation of NaV1.7 active compounds using the SVM/Signature approach and the Bioclipse Modeling platform. | Bioorg Med Chem Lett 23: 261-3 (2013) | AstraZeneca | 2D 3D TSV |
23177783 | 130 | Synthesis and SAR of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-ones as 5-HT2C receptor agonists. | Bioorg Med Chem Lett 23: 330-5 (2012) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
23177727 | 13 | Trisubstituted thiophene analogues of 1-thiazolyl-2-pyrazoline, super oxidase inhibitors and free radical scavengers. | Bioorg Med Chem 21: 365-72 (2012) | Swami Ramanand Teerth Marathwada University | 2D 3D TSV |
23177256 | 4 | Pharmacophore identification of c-Myc inhibitor 10074-G5. | Bioorg Med Chem Lett 23: 370-4 (2012) | University of Maryland | 2D 3D TSV |
23176753 | 5 | Cyclic analogs of galanin and neuropeptide Y by hydrocarbon stapling. | Bioorg Med Chem 21: 303-10 (2012) | University of Utah | 2D 3D TSV |
23176628 | 21 | Synthesis and biological evaluation of colchicine B-ring analogues tethered with halogenated benzyl moieties. | J Med Chem 55: 11062-6 (2012) | University of Bradford | 2D 3D TSV |
23176597 | 14 | Structure-activity relationships and blood distribution of antiplasmodial aminopeptidase-1 inhibitors. | J Med Chem 55: 10909-17 (2012) | University of Lille | 2D 3D TSV |
23173744 | 18 | Kinetic and in silico analysis of thiazolidin-based inhibitors of a-carbonic anhydrase isoenzymes. | J Enzyme Inhib Med Chem 28: 370-4 (2013) | Ondokuz Mayis University | 2D 3D TSV |
23171656 | 23 | Pyrazolo[1,5-c]quinazoline derivatives and their simplified analogues as adenosine receptor antagonists: synthesis, structure-affinity relationships and molecular modeling studies. | Bioorg Med Chem 21: 283-94 (2012) | Universita' di Firenze | 2D 3D TSV |
23171045 | 38 | New 2-(aryloxy)-3-phenylpropanoic acids as peroxisome proliferator-activated receptora/¿ dual agonists able to upregulate mitochondrial carnitine shuttle system gene expression. | J Med Chem 56: 60-72 (2013) | Universit� degli Studi di Bari&quo | 2D 3D TSV |
23170970 | 7 | Discovery of novel and ligand-efficient inhibitors of Plasmodium falciparum and Plasmodium vivax N-myristoyltransferase. | J Med Chem 56: 371-5 (2013) | Imperial College | 2D 3D TSV |
23168081 | 72 | New selective carbonic anhydrase IX inhibitors: synthesis and pharmacological evaluation of diarylpyrazole-benzenesulfonamides. | Bioorg Med Chem 21: 1451-64 (2013) | University of Lille | 2D 3D TSV |
23168018 | 10 | A rhodamine-labeled citalopram analogue as a high-affinity fluorescent probe for the serotonin transporter. | Bioorg Med Chem Lett 23: 323-6 (2012) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
23167691 | 4 | Creation of an HDAC-based yeast screening method for evaluation of marine-derived actinomycetes: discovery of streptosetin A. | J Nat Prod 75: 2193-9 (2012) | San Francisco State University | 2D 3D TSV |
23167654 | 9 | Development of second-generation indole-based dynamin GTPase inhibitors. | J Med Chem 56: 46-59 (2013) | The University of Newcastle | 2D 3D TSV |
23167554 | 28 | Structural investigation of anti-Trypanosoma cruzi 2-iminothiazolidin-4-ones allows the identification of agents with efficacy in infected mice. | J Med Chem 55: 10918-36 (2012) | Universidade Federal de Pernambuco | 2D 3D TSV |
23167494 | 18 | An anthraquinone scaffold for putative, two-face Bim BH3a-helix mimic. | J Med Chem 55: 10735-41 (2012) | Dalian University of Technology | 2D 3D TSV |
23165001 | 16 | Inhibition of HIV-1 integrase dimerization and activity with crosslinked interfacial peptides. | Bioorg Med Chem 21: 4041-4 (2013) | Purdue University | 2D 3D TSV |
23164711 | 3 | On scaffold hopping: challenges in the discovery of sulfated small molecules as mimetics of glycosaminoglycans. | Bioorg Med Chem Lett 23: 355-9 (2012) | Virginia Commonwealth University | 2D 3D TSV |
23164706 | 7 | Identification of inhibitors against interaction between pro-inflammatory sPLA2-IIA protein and integrinavß3. | Bioorg Med Chem Lett 23: 340-5 (2012) | University of California | 2D 3D TSV |
23164658 | 78 | 2-Arylbenzofuran-based molecules as multipotent Alzheimer's disease modifying agents. | Eur J Med Chem 58: 519-32 (2012) | University of Bologna | 2D 3D TSV |
23164656 | 3 | Synthesis, structure-activity relationships, and docking studies of N-phenylarylformamide derivatives (PAFAs) as non-nucleoside HIV reverse transcriptase inhibitors. | Eur J Med Chem 58: 504-12 (2012) | Fudan University | 2D 3D TSV |
23159568 | 8 | Non-proteinogenic amino acids in the pThr-2 position of a pentamer peptide that confer high binding affinity for the polo box domain (PBD) of polo-like kinase 1 (Plk1). | Bioorg Med Chem Lett 22: 7306-8 (2012) | Frederick National Laboratory for Cancer Research | 2D 3D TSV |
23159038 | 2 | Characterization of human carbonic anhydrase XII stability and inhibitor binding. | Bioorg Med Chem 21: 1431-6 (2013) | Vilnius University Institute of Biotechnology | 2D 3D TSV |
23157587 | 54 | HIV-1 X4 activities of polycationic "viologen" based dendrimers by interaction with the chemokine receptor CXCR4: study of structure-activity relationship. | J Med Chem 55: 10405-13 (2012) | University of Osnabr£ck | 2D 3D TSV |
23153812 | 68 | Recent advances in the development of selective human MAO-B inhibitors: (hetero)arylidene-(4-substituted-thiazol-2-yl)hydrazines. | Eur J Med Chem 58: 405-17 (2012) | Sapienza University of Rome | 2D 3D TSV |
23153798 | 46 | Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors. | Bioorg Med Chem Lett 22: 7523-9 (2012) | Pfizer Inc | 2D 3D TSV |
23153367 | 92 | Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. | J Med Chem 55: 10652-61 (2012) | AstraZeneca | 2D 3D TSV |
23153330 | 5 | Conjugation of quinones with natural polyamines: toward an expanded antitrypanosomatid profile. | J Med Chem 55: 10490-500 (2012) | University of Bologna | 2D 3D TSV |
23153282 | 70 | Synthesis of new 7-oxycoumarin derivatives as potent and selective monoamine oxidase A inhibitors. | J Med Chem 55: 10424-36 (2012) | National Research Center | 2D 3D TSV |
23153230 | 8 | Discovery of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (BMS-927711): an oral calcitonin gene-related peptide (CGRP) antagonist in clinical trials for treating migraine. | J Med Chem 55: 10644-51 (2012) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
23153200 | 24 | Synthesis and structure-activity relationship of (E)-phenoxyacrylic amide derivatives as hypoxia-inducible factor (HIF) 1a inhibitors. | J Med Chem 55: 10564-71 (2012) | Dongguk University-Seoul | 2D 3D TSV |
23151473 | 60 | Virtual screening and QSAR study of some pyrrolidine derivatives asa-mannosidase inhibitors for binding feature analysis. | Bioorg Med Chem 20: 6945-59 (2012) | Universidade do Porto 687 | 2D 3D TSV |
23151320 | 37 | Scaffold hopping strategy toward original pyrazolines as selective CB2 receptor ligands. | Eur J Med Chem 58: 396-404 (2012) | Avenue de l'Universit£ | 2D 3D TSV |
23151085 | 29 | Design, synthesis, and pharmacological evaluation of bis-2-(5-phenylacetamido-1,2,4-thiadiazol-2-yl)ethyl sulfide 3 (BPTES) analogs as glutaminase inhibitors. | J Med Chem 55: 10551-63 (2012) | Johns Hopkins University | 2D 3D TSV |
23151054 | 15 | Rational design of highly selective spleen tyrosine kinase inhibitors. | J Med Chem 55: 10414-23 (2012) | Hoffmann-La Roche Inc | 2D 3D TSV |
23151013 | 56 | Carbamate derivatives of indolines as cholinesterase inhibitors and antioxidants for the treatment of Alzheimer's disease. | J Med Chem 55: 10700-15 (2012) | Bar-Ilan University | 2D 3D TSV |
23150943 | 43 | Chemical subtleties in small-molecule modulation of peptide receptor function: the case of CXCR3 biaryl-type ligands. | J Med Chem 55: 10572-83 (2012) | VU University Amsterdam | 2D 3D TSV |
23149299 | 50 | Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9. | Eur J Med Chem 58: 368-76 (2012) | Universit£ degli Studi di Bari Aldo Moro | 2D 3D TSV |
23149230 | 22 | The discovery of a novel series of glucokinase activators based on a pyrazolopyrimidine scaffold. | Bioorg Med Chem Lett 22: 7302-5 (2012) | AstraZeneca | 2D 3D TSV |
23149229 | 48 | 6,7-Dihydroxy-1-oxoisoindoline-4-sulfonamide-containing HIV-1 integrase inhibitors. | Bioorg Med Chem Lett 22: 7309-13 (2012) | Frederick National Laboratory for Cancer Research | 2D 3D TSV |
23149228 | 60 | Discovery of selective biaryl ethers as PDE10A inhibitors: improvement in potency and mitigation of Pgp-mediated efflux. | Bioorg Med Chem Lett 22: 7371-5 (2012) | Amgen Inc | 2D 3D TSV |
23148598 | 8 | Phenyltetrahydroisoquinoline-pyridinaldoxime conjugates as efficient uncharged reactivators for the dephosphylation of inhibited human acetylcholinesterase. | J Med Chem 55: 10791-5 (2012) | Universit£ de Rouen | 2D 3D TSV |
23148522 | 55 | Design, synthesis, and antidiabetic activity of 4-phenoxynicotinamide and 4-phenoxypyrimidine-5-carboxamide derivatives as potent and orally efficacious TGR5 agonists. | J Med Chem 55: 10475-89 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
23147077 | 23 | Design and biological evaluation of imidazo[1,2-a]pyridines as novel and potent ASK1 inhibitors. | Bioorg Med Chem Lett 22: 7326-9 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23147076 | 163 | Structure-activity relationships of 2-arylamido-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide derivatives as cannabinoid receptor agonists and their analgesic action. | Bioorg Med Chem Lett 22: 7314-21 (2012) | Nycomed Pharma Pvt. Ltd | 2D 3D TSV |
23147075 | 5 | Identification of novel mPGES-1 inhibitors through screening of a chemical library. | Bioorg Med Chem Lett 22: 7335-9 (2012) | Kookmin University | 2D 3D TSV |
23146282 | 3 | Analogue-based design, synthesis and docking of non-steroidal anti-inflammatory agents. Part 2: methyl sulfanyl/methyl sulfonyl substituted 2,3-diaryl-2,3-dihydro-1H-quinazolin-4-ones. | Bioorg Med Chem 20: 7119-27 (2012) | Devi Ahilya Vishwavidyalaya | 2D 3D TSV |
23145909 | 7 | Brominated aromatic furanones and related esters from the ascidian Synoicum sp. | J Nat Prod 75: 2055-61 (2012) | Seoul National University | 2D 3D TSV |
23145854 | 9 | Principles and applications of halogen bonding in medicinal chemistry and chemical biology. | J Med Chem 56: 1363-88 (2013) | Eberhard-Karls University | 2D 3D TSV |
23145816 | 4 | Mimicking the intramolecular hydrogen bond: synthesis, biological evaluation, and molecular modeling of benzoxazines and quinazolines as potential antimalarial agents. | J Med Chem 55: 10387-404 (2012) | University of Siena | 2D 3D TSV |
23145773 | 45 | Structural optimization of 2,5-thiophene amides as highly potent and selective 17ß-hydroxysteroid dehydrogenase type 2 inhibitors for the treatment of osteoporosis. | J Med Chem 56: 167-81 (2013) | Saarland University | 2D 3D TSV |
23145215 | 23 | Truncated Nucleosides as A(3) Adenosine Receptor Ligands: Combined 2-Arylethynyl and Bicyclohexane Substitutions. | ACS Med Chem Lett 3: 596-601 (2012) | TBA | 2D 3D TSV |
23142618 | 66 | Discovery of a novel series of 4-quinolone JNK inhibitors. | Bioorg Med Chem Lett 22: 7381-7 (2012) | Roche Palo Alto | 2D 3D TSV |
23142617 | 57 | Discovery and evolution of phenoxypiperidine hydroxyamide dual CCR3/H1 antagonists. Part I. | Bioorg Med Chem Lett 22: 7702-6 (2012) | AstraZeneca | 2D 3D TSV |
23142615 | 35 | Discovery and SAR of a novel series of non-MPEP site mGlu5 PAMs based on an aryl glycine sulfonamide scaffold. | Bioorg Med Chem Lett 22: 7388-92 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
23142613 | 101 | Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 8. High affinity ligands for opioid receptors in the picomolar Ki range: oxygenated N-(2-[1,1'-biphenyl]-4-ylethyl) analogues of 8-CAC. | Bioorg Med Chem Lett 22: 7340-4 (2012) | Rensselaer Polytechnic Institute | 2D 3D TSV |
23142612 | 3 | Synthesis of novel azo-resveratrol, azo-oxyresveratrol and their derivatives as potent tyrosinase inhibitors. | Bioorg Med Chem Lett 22: 7451-5 (2012) | Pusan National University | 2D 3D TSV |
23142320 | 14 | Optimization of thiazole analogues of resveratrol for induction of NAD(P)H:quinone reductase 1 (QR1). | Bioorg Med Chem 20: 7030-9 (2012) | Purdue University | 2D 3D TSV |
23142066 | 2 | Design, synthesis and in vitro anti-proliferative activity of 4,6-quinazolinediamines as potent EGFR-TK inhibitors. | Eur J Med Chem 61: 132-45 (2013) | Misr International University | 2D 3D TSV |
23141914 | 22 | Discovery of a novel series of benzimidazole derivatives as diacylglycerol acyltransferase inhibitors. | Bioorg Med Chem Lett 22: 7456-60 (2012) | Dongguk University-Seoul | 2D 3D TSV |
23141913 | 40 | Discovery of a novel class of zwitterionic, potent, selective and orally active S1P1 direct agonists. | Bioorg Med Chem Lett 22: 7672-6 (2012) | Rhône-Poulenc Rorer | 2D 3D TSV |
23141912 | 30 | Design, synthesis and pharmacological evaluation of 4-(piperazin-1-yl methyl)-N1-arylsulfonyl indole derivatives as 5-HT6 receptor ligands. | Bioorg Med Chem Lett 22: 7431-5 (2012) | Suven Life Sciences Limited | 2D 3D TSV |
23141911 | 60 | Heteroaryl urea inhibitors of fatty acid amide hydrolase: structure-mutagenicity relationships for arylamine metabolites. | Bioorg Med Chem Lett 22: 7357-62 (2012) | Janssen Research and Development LLC | 2D 3D TSV |
23141910 | 2 | New diterpene furanoids from the Antarctic lichen Huea sp. | Bioorg Med Chem Lett 22: 7393-6 (2012) | Silla University | 2D 3D TSV |
23141909 | 46 | Design and synthesis of novel bis-thiazolone derivatives as micromolar CDC25 phosphatase inhibitors: effect of dimerisation on phosphatase inhibition. | Bioorg Med Chem Lett 22: 7345-50 (2012) | University of Paris | 2D 3D TSV |
23141418 | 53 | Optimization and structure-activity relationships of a series of potent inhibitors of methicillin-resistant Staphylococcus aureus (MRSA) pyruvate kinase as novel antimicrobial agents. | Bioorg Med Chem 20: 7069-82 (2012) | Simon Fraser University | 2D 3D TSV |
23140986 | 38 | Novel coumarin derivatives bearing N-benzyl pyridinium moiety: potent and dual binding site acetylcholinesterase inhibitors. | Bioorg Med Chem 20: 7214-22 (2012) | University College of Science | 2D 3D TSV |
23140885 | 15 | Synthesis and structure-activity relationships of tri-substituted thiazoles as RAGE antagonists for the treatment of Alzheimer's disease. | Bioorg Med Chem Lett 22: 7555-61 (2012) | Korea Institute of Science and Technology | 2D 3D TSV |
23140383 | 12 | Synthesis and biological characterization of 3-substituted 1H-indoles as ligands of GluN2B-containing N-methyl-D-aspartate receptors. Part 2. | J Med Chem 55: 10532-9 (2012) | Universit£ di Messina | 2D 3D TSV |
23140358 | 28 | Synthesis and biological evaluation (in vitro and in vivo) of cyclic arginine-glycine-aspartate (RGD) peptidomimetic-paclitaxel conjugates targeting integrinaVß3. | J Med Chem 55: 10460-74 (2012) | Universit£ degli Studi di Milano | 2D 3D TSV |
23138692 | 14 | Allosteric competitive inhibitors of the glucose-1-phosphate thymidylyltransferase (RmlA) from Pseudomonas aeruginosa. | ACS Chem Biol 8: 387-96 (2013) | University of St. Andrews | 2D 3D TSV |
23137448 | 16 | Fibrate-derived N-(methylsulfonyl)amides with antagonistic properties on PPARa. | Eur J Med Chem 58: 317-22 (2012) | Universit£ G. D'Annunzio | 2D 3D TSV |
23137303 | 38 | Design, synthesis, and pharmacological evaluation of monocyclic pyrimidinones as novel inhibitors of PDE5. | J Med Chem 55: 10540-50 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
23134659 | 74 | Design and synthesis of procollagen C-proteinase inhibitors. | Bioorg Med Chem Lett 22: 7397-401 (2012) | FibroGen Inc | 2D 3D TSV |
23134335 | 7 | Acetylcholinesterase inhibitors from the leaves of Macaranga kurzii. | J Nat Prod 75: 2012-2015 (2012) | TBA | 2D 3D TSV |
23134227 | 13 | Benzofuroxane derivatives as multi-effective agents for the treatment of cardiovascular diabetic complications. Synthesis, functional evaluation, and molecular modeling studies. | J Med Chem 55: 10523-31 (2012) | Universit£ di Pisa | 2D 3D TSV |
23134120 | 72 | Discovery and pharmacological evaluation of a diphenethylamine derivative (HS665), a highly potent and selective¿ opioid receptor agonist. | J Med Chem 55: 10302-6 (2012) | University of Innsbruck | 2D 3D TSV |
23132334 | 28 | In vitro investigations into the roles of drug transporters and metabolizing enzymes in the disposition and drug interactions of dolutegravir, a HIV integrase inhibitor. | Drug Metab Dispos 41: 353-61 (2013) | GlaxoSmithKline | 2D 3D TSV |
23131542 | 16 | Improving the solubility of a new class of antiinflammatory pharmacodynamic hybrids, that release nitric oxide and inhibit cycloxygenase-2 isoenzyme. | Eur J Med Chem 58: 287-98 (2012) | Sapienza University of Rome | 2D 3D TSV |
23131541 | 2 | Synthesis, in silico, in vitro, and in vivo investigation of 5-[¹¹C]methoxy-substituted sunitinib, a tyrosine kinase inhibitor of VEGFR-2. | Eur J Med Chem 58: 272-80 (2012) | Universidad de Talca | 2D 3D TSV |
23131412 | 30 | Purpuroines A-J, halogenated alkaloids from the sponge Iotrochota purpurea with antibiotic activity and regulation of tyrosine kinases. | Bioorg Med Chem 20: 6924-8 (2012) | Peking University | 2D 3D TSV |
23131342 | 55 | Discovery of a novel non-steroidal GR antagonist with in vivo efficacy in the olanzapine-induced weight gain model in the rat. | Bioorg Med Chem Lett 22: 7376-80 (2012) | Corcept Therapeutics | 2D 3D TSV |
23131341 | 50 | Synthesis of novel triplet drugs with 1,3,5-trioxazatriquinane skeletons and their pharmacologies. 3: synthesis of novel triplet drugs with the bis(epoxymethano) or bis(dimethylepoxymethano) structure (double-capped triplet). | Bioorg Med Chem Lett 22: 7551-4 (2012) | Kitasato University | 2D 3D TSV |
23131340 | 49 | Development of sub-nanomolar dipeptidic ligands of neuropeptide FF receptors. | Bioorg Med Chem Lett 22: 7471-4 (2012) | University of Strasbourg | 2D 3D TSV |
23131339 | 6 | Synthesis of novel¿¿3 receptor ligands via an unusual Knoevenagel condensation. | Bioorg Med Chem Lett 22: 7578-81 (2012) | Moscow State University | 2D 3D TSV |
23130964 | 25 | Design and synthesis of dual modulators of soluble epoxide hydrolase and peroxisome proliferator-activated receptors. | J Med Chem 55: 10771-5 (2012) | ZAFES/LiFF/OSF Goethe-University Frankfurt | 2D 3D TSV |
23130626 | 46 | Synthesis and SAR of b-annulated 1,4-dihydropyridines define cardiomyogenic compounds as novel inhibitors of TGFß signaling. | J Med Chem 55: 9946-57 (2012) | Human BioMolecular Research Institute | 2D 3D TSV |
23129539 | 8 | Type II Ligands as Chemical Auxiliaries To Favor Enzymatic Transformations by P450 2E1. | Chembiochem 13: 2527-36 (2012) | McGill University | 2D 3D TSV |
23129510 | 3 | Molecular cloning and pharmacological characterisation of a tyramine receptor from the rice stem borer, Chilo suppressalis (Walker). | Pest Manag Sci 69: 126-34 (2013) | Zhejiang University | 2D 3D TSV |
23127890 | 96 | SAR and in vivo evaluation of 4-aryl-2-aminoalkylpyrimidines as potent and selective Janus kinase 2 (JAK2) inhibitors. | Bioorg Med Chem Lett 22: 7653-8 (2012) | Exelixis Inc | 2D 3D TSV |
23127889 | 6 | 2-Styrylindolium based fluorescent probes visualize neurofibrillary tangles in Alzheimer's disease. | Bioorg Med Chem Lett 22: 7667-71 (2012) | Technische Universit£t Darmstadt | 2D 3D TSV |
23127888 | 56 | Azabenzthiazole inhibitors of leukotriene A4 hydrolase. | Bioorg Med Chem Lett 22: 7504-11 (2012) | Janssen Research and Development LLC | 2D 3D TSV |
23127490 | 2 | 3-Phenyl substituted 6,7-dimethoxyisoquinoline derivatives as FtsZ-targeting antibacterial agents. | Bioorg Med Chem 20: 7012-29 (2012) | The State University of New Jersey | 2D 3D TSV |
23126648 | 213 | Discovery of (2S,3R)-N-[2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzo[b]furan-2-carboxamide (TC-5619), a selectivea7 nicotinic acetylcholine receptor agonist, for the treatment of cognitive disorders. | J Med Chem 55: 9793-809 (2012) | Targacept Inc | 2D 3D TSV |
23126626 | 76 | Core refinement toward permeable ?-secretase (BACE-1) inhibitors with low hERG activity. | J Med Chem 56: 4181-205 (2013) | AstraZeneca | 2D 3D TSV |
23126600 | 34 | The Multi-Leu peptide inhibitor discriminates between PACE4 and furin and exhibits antiproliferative effects on prostate cancer cells. | J Med Chem 55: 10501-11 (2012) | Universit£ de Sherbrooke | 2D 3D TSV |
23124219 | 21 | Mechanism-based design, synthesis and biological studies of N5-substituted tetrahydrofolate analogs as inhibitors of cobalamin-dependent methionine synthase and potential anticancer agents. | Eur J Med Chem 58: 228-36 (2012) | Peking University | 2D 3D TSV |
23124215 | 72 | Affinity and activity profiling of unichiral 8-substituted 1,4-benzodioxane analogues of WB4101 reveals a potent and selectivea1B-adrenoceptor antagonist. | Eur J Med Chem 58: 184-91 (2012) | Universit£ di Milano | 2D 3D TSV |
23124214 | 100 | Synthesis and biological evaluation of N-arylbenzo[b]thieno[3,2-d]pyrimidin-4-amines and their pyrido and pyrazino analogues as Ser/Thr kinase inhibitors. | Eur J Med Chem 58: 171-83 (2012) | Universit£ de Rouen | 2D 3D TSV |
23124213 | 4 | Novel 1,4-benzoxazine and 1,4-benzodioxine inhibitors of angiogenesis. | Eur J Med Chem 58: 160-70 (2012) | University of Ljubljana | 2D 3D TSV |
23124211 | 22 | Synthesis and structure-activity relationship of potent, selective and orally active anthranilamide-based factor Xa inhibitors: application of weakly basic sulfoximine group as novel S4 binding element. | Eur J Med Chem 58: 136-52 (2012) | Zydus Research Centre | 2D 3D TSV |
23123728 | 4 | Synthesis, biological evaluation and molecular docking studies of 3-(triazolyl)-coumarin derivatives: effect on inducible nitric oxide synthase. | Eur J Med Chem 58: 117-27 (2012) | Universidade de S£o Paulo | 2D 3D TSV |
23123017 | 23 | Synthesis and docking studies of novel antitumor benzimidazoles. | Bioorg Med Chem 20: 6989-7001 (2012) | National Research Center | 2D 3D TSV |
23123016 | 12 | Bicyclic peptidomimetics targeting secreted aspartic protease 2 (SAP2) from Candida albicans reveal a constrained inhibitory chemotype. | Bioorg Med Chem 20: 7206-13 (2012) | University of Florence | 2D 3D TSV |
23123015 | 22 | Design, synthesis, and evaluation of imidazo[1,2-b]pyridazine derivatives having a benzamide unit as novel VEGFR2 kinase inhibitors. | Bioorg Med Chem 20: 7051-8 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
23122937 | 4 | Triazole pyrimidine nucleosides as inhibitors of Ribonuclease A. Synthesis, biochemical, and structural evaluation. | Bioorg Med Chem 20: 7184-93 (2012) | University of Thessaly | 2D 3D TSV |
23122934 | 44 | Inhibition of monoamine oxidase by 8-[(phenylethyl)sulfanyl]caffeine analogues. | Bioorg Med Chem 20: 7040-50 (2012) | North-West University | 2D 3D TSV |
23122867 | 27 | 7-Phenyl-pyrido[2,3-d]pyrimidine-2,4-diamines: novel and highly selective protein tyrosine phosphatase 1B inhibitors. | Bioorg Med Chem Lett 22: 7518-22 (2012) | Roche Research Center | 2D 3D TSV |
23122865 | 24 | Identification of selective inhibitors of indoleamine 2,3-dioxygenase 2. | Bioorg Med Chem Lett 22: 7641-6 (2012) | The University of Sydney | 2D 3D TSV |
23122864 | 19 | Isocytosine-based inhibitors of xanthine oxidase: design, synthesis, SAR, PK and in vivo efficacy in rat model of hyperuricemia. | Bioorg Med Chem Lett 22: 7543-6 (2012) | Piramal Healthcare Limited | 2D 3D TSV |
23122859 | 43 | Discovery and optimization of a series of 2-aminothiazole-oxazoles as potent phosphoinositide 3-kinase¿ inhibitors. | Bioorg Med Chem Lett 22: 7534-8 (2012) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
23122857 | 49 | Sulfanylphthalonitrile analogues as selective and potent inhibitors of monoamine oxidase B. | Bioorg Med Chem Lett 22: 7367-70 (2012) | North-West University | 2D 3D TSV |
23122821 | 26 | Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors. | Bioorg Med Chem Lett 22: 7677-82 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
23122820 | 22 | Inhibition of HIV-1 capsid assembly: optimization of the antiviral potency by site selective modifications at N1, C2 and C16 of a 5-(5-furan-2-yl-pyrazol-1-yl)-1H-benzimidazole scaffold. | Bioorg Med Chem Lett 22: 7512-7 (2012) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
23122818 | 1 | Synthesis and biological evaluation of a water-soluble derivative of the potent V-ATPase inhibitor archazolid. | Bioorg Med Chem Lett 22: 7735-8 (2012) | Ruprecht-Karls-Universit£t Heidelberg | 2D 3D TSV |
23122816 | 18 | Design and evaluation of azaindole-substituted N-hydroxypyridones as glyoxalase I inhibitors. | Bioorg Med Chem Lett 22: 7486-9 (2012) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
23122525 | 9 | Fluorescent nitrile-based inhibitors of cysteine cathepsins. | Bioorg Med Chem Lett 22: 7715-8 (2012) | University of Bonn | 2D 3D TSV |
23122522 | 25 | Discovery of di-indolinone as a novel scaffold for protein tyrosine phosphatase 1B inhibitors. | Bioorg Med Chem Lett 22: 7440-3 (2012) | East China University of Science and Technology | 2D 3D TSV |
23121721 | 6 | Synthesis of 1,4-bis(indolin-1-ylmethyl)benzene derivatives and their structure-activity relationships for the interaction of human carbonic anhydrase isoforms I and II. | Bioorg Med Chem 21: 1477-82 (2013) | Karamanoglu Mehmetbey University | 2D 3D TSV |
23121096 | 86 | Ion channels as therapeutic targets: a drug discovery perspective. | J Med Chem 56: 593-624 (2013) | Pfizer Inc | 2D 3D TSV |
23121075 | 119 | P2-substituted N-acylprolylpyrrolidine inhibitors of prolyl oligopeptidase: biochemical evaluation, binding mode determination, and assessment in a cellular model of synucleinopathy. | J Med Chem 55: 9856-67 (2012) | University of Antwerp | 2D 3D TSV |
23119123 | 1 | The Synthesis and Antimicrobial Activity of Heterocyclic Derivatives of Totarol. | ACS Med Chem Lett 3: 818-822 (2012) | TBA | 2D 3D TSV |
23118326 | 5 | Clinical pharmacokinetics, metabolism, and drug-drug interaction of carfilzomib. | Drug Metab Dispos 41: 230-7 (2012) | Onyx Pharmaceuticals | 2D 3D TSV |
23117174 | 74 | 5-(1,3-Benzothiazol-6-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1H-imidazole derivatives as potent and selective transforming growth factor-ß type I receptor inhibitors. | Bioorg Med Chem 20: 7128-38 (2012) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
23117173 | 2 | Microwave assisted synthesis and anti-influenza virus activity of 1-adamantyl substituted N-(1-thia-4-azaspiro[4.5]decan-4-yl)carboxamide derivatives. | Bioorg Med Chem 20: 7155-9 (2012) | Istanbul University | 2D 3D TSV |
23116892 | 1 | Structural modifications of a 3-methoxy-2-aminopyridine compound to reduce potential for mutagenicity and time-dependent drug-drug interaction. | Bioorg Med Chem Lett 22: 7605-9 (2012) | Pfizer Inc. | 2D 3D TSV |
23116891 | 15 | Synthesis of new opioid derivatives with a propellane skeleton and their pharmacologies: part 3, novel propellane derivatives with pentacyclic skeletons. | Bioorg Med Chem Lett 22: 7697-701 (2012) | Kitasato University | 2D 3D TSV |
23116890 | 5 | Synthesis and evaluation of 3-¹²³I-iodo-5-[2-(S)-3-pyrrolinylmethoxy]-pyridine (niodene) as a potential nicotinic ?4?2 receptor imaging agent. | Bioorg Med Chem Lett 22: 7610-4 (2012) | University of California - Irvine | 2D 3D TSV |
23116889 | 88 | Discovery and evolution of phenoxypiperidine hydroxyamide dual CCR3/H1 antagonists. Part II: optimising in vivo clearance. | Bioorg Med Chem Lett 22: 7707-10 (2012) | AstraZeneca | 2D 3D TSV |
23116186 | 68 | Design and optimization of pyrazinecarboxamide-based inhibitors of diacylglycerol acyltransferase 1 (DGAT1) leading to a clinical candidate dimethylpyrazinecarboxamide phenylcyclohexylacetic acid (AZD7687). | J Med Chem 55: 10610-29 (2012) | AstraZeneca | 2D 3D TSV |
23116168 | 42 | Structural optimization and structure-activity relationships of N2-(4-(4-Methylpiperazin-1-yl)phenyl)-N8-phenyl-9H-purine-2,8-diamine derivatives, a new class of reversible kinase inhibitors targeting both EGFR-activating and resistance mutations. | J Med Chem 55: 10685-99 (2012) | Sichuan University | 2D 3D TSV |
23116147 | 30 | Rapid discovery of highly potent and selective inhibitors of histone deacetylase 8 using click chemistry to generate candidate libraries. | J Med Chem 55: 9562-75 (2012) | Kyoto Prefectural University of Medicine | 2D 3D TSV |
23116124 | 65 | Design, synthesis, and biological evaluation of 17-cyclopropylmethyl-3,14ß-dihydroxy-4,5a-epoxy-6ß-[(4'-pyridyl)carboxamido]morphinan derivatives as peripheral selectiveµ opioid receptor Agents. | J Med Chem 55: 10118-29 (2012) | Virginia Commonwealth University | 2D 3D TSV |
23108363 | 6 | Design, synthesis and biological evaluation of benzo[e][1,2,4]triazin-7(1H)-one and [1,2,4]-triazino[5,6,1-jk]carbazol-6-one derivatives as dual inhibitors of beta-amyloid aggregation and acetyl/butyryl cholinesterase. | Eur J Med Chem 58: 84-97 (2012) | Universit£ degli Studi di Bari Aldo Moro | 2D 3D TSV |
23107667 | 5 | Peptidomimetic modification improves cell permeation of bivalent farnesyltransferase inhibitors. | Bioorg Med Chem 21: 4004-10 (2013) | Osaka University | 2D 3D TSV |
23107515 | 3 | Fluorescence study for selecting specific ligands toward HER2 receptor: an example of receptor fragment approach. | Eur J Med Chem 61: 116-21 (2013) | Institute of Biostructures and Bioimages | 2D 3D TSV |
23107482 | 82 | Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over JAK2. | Bioorg Med Chem Lett 22: 7627-33 (2012) | Genentech | 2D 3D TSV |
23107479 | 4 | Modification of a promiscuous inhibitor shifts the inhibition from¿-secretase to FLT-3. | Bioorg Med Chem Lett 22: 7634-40 (2012) | Technische Universit£t Darmstadt | 2D 3D TSV |
23106386 | 4 | Structural basis for the potent and selective inhibition of casein kinase 1 epsilon. | J Med Chem 55: 10307-11 (2012) | Amgen Inc | 2D 3D TSV |
23106358 | 96 | a-1-C-butyl-1,4-dideoxy-1,4-imino-l-arabinitol as a second-generation iminosugar-based orala-glucosidase inhibitor for improving postprandial hyperglycemia. | J Med Chem 55: 10347-62 (2012) | University of Toyama | 2D 3D TSV |
23106316 | 6 | 2-(3-Oxo-1,3-diphenylpropyl)malonic acids as potent allosteric ligands of the PIF pocket of phosphoinositide-dependent kinase-1: development and prodrug concept. | J Med Chem 55: 9817-30 (2012) | Saarland University | 2D 3D TSV |
23103095 | 125 | Hit to Lead optimization of a novel class of squarate-containing polo-like kinases inhibitors. | Bioorg Med Chem Lett 22: 7615-22 (2012) | Abbott Laboratories | 2D 3D TSV |
23103094 | 39 | Essential structure of opioid¿ receptor agonist nalfurafine for binding to the¿ receptor 3: synthesis of decahydro(iminoethano)phenanthrene derivatives with an oxygen functionality at the 3-position and their pharmacologies. | Bioorg Med Chem Lett 22: 7711-4 (2012) | Kitasato University | 2D 3D TSV |
23102891 | 34 | Synthesis and structure-activity relationships of fibrate-based analogues inside PPARs. | Bioorg Med Chem Lett 22: 7662-6 (2012) | Universit£ degli Studi G. d'Annunzio | 2D 3D TSV |
23102654 | 20 | Inhibition of monoamine oxidase by derivatives of piperine, an alkaloid from the pepper plant Piper nigrum, for possible use in Parkinson's disease. | Bioorg Med Chem Lett 22: 7183-8 (2012) | Northeast Ohio Medical University | 2D 3D TSV |
23102653 | 28 | Synthesis and glycosidase inhibitory activity of novel (2-phenyl-4H-benzopyrimedo[2,1-b]-thiazol-4-yliden)acetonitrile derivatives. | Bioorg Med Chem Lett 22: 7011-4 (2012) | North Maharashtra University | 2D 3D TSV |
23102273 | 60 | Variation of the net charge, lipophilicity, and side chain flexibility in Dmt(1)-DALDA: Effect on Opioid Activity and Biodistribution. | J Med Chem 55: 9549-61 (2012) | Vrije Universiteit Brussel | 2D 3D TSV |
23102207 | 122 | Synthesis and structure-affinity relationships of selective high-affinity 5-HT(4) receptor antagonists: application to the design of new potential single photon emission computed tomography tracers. | J Med Chem 55: 9693-707 (2012) | Universit£ de Caen Basse-Normandie | 2D 3D TSV |
23099099 | 14 | Identification of novel scaffold of benzothiazepinones as non-ATP competitive glycogen synthase kinase-3ß inhibitors through virtual screening. | Bioorg Med Chem Lett 22: 7232-6 (2012) | Fudan University | 2D 3D TSV |
23099096 | 88 | Novel azulene derivatives for the treatment of erectile dysfunction. | Bioorg Med Chem Lett 22: 7151-4 (2012) | Friedrich-Alexander University | 2D 3D TSV |
23099093 | 84 | Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKe kinases. | Bioorg Med Chem Lett 22: 7169-73 (2012) | MRC Technology | 2D 3D TSV |
23099092 | 74 | Tyrosine urea muscarinic acetylcholine receptor antagonists: achiral quaternary ammonium groups. | Bioorg Med Chem Lett 22: 7087-91 (2012) | GlaxoSmithKline | 2D 3D TSV |
23098609 | 2 | Discovery of novel 2-(3-(2-chlorophenyl)pyrazin-2-ylthio)-N-arylacetamides as potent HIV-1 inhibitors using a structure-based bioisosterism approach. | Bioorg Med Chem 20: 6795-802 (2012) | Shandong University | 2D 3D TSV |
23098607 | 2 | Carbonic anhydrase IX as a target for metastatic disease. | Bioorg Med Chem 21: 1470-6 (2013) | University of Manchester | 2D 3D TSV |
23098606 | 12 | O-Aryla,ß-d-ribofuranosides: synthesis& highly efficient biocatalytic separation of anomers and evaluation of their Src kinase inhibitory activity. | Bioorg Med Chem 20: 6821-30 (2012) | University of Delhi | 2D 3D TSV |
23098605 | 248 | Exploring the directionality of 5-substitutions in a new series of 5-alkylaminopyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine as a strategy to design novel human a(3) adenosine receptor antagonists. | J Med Chem 55: 9654-68 (2012) | Universit£ di Trieste | 2D 3D TSV |
23098566 | 17 | Aminopiperidine sulfonamide Cav2.2 channel inhibitors for the treatment of chronic pain. | J Med Chem 55: 9847-55 (2012) | Merck Research Laboratories | 2D 3D TSV |
23098265 | 46 | Vascular endothelial growth factor (VEGF) receptors: drugs and new inhibitors. | J Med Chem 55: 10797-822 (2012) | University of Genoa | 2D 3D TSV |
23098137 | 40 | Repositioning HIV-1 integrase inhibitors for cancer therapeutics: 1,6-naphthyridine-7-carboxamide as a promising scaffold with drug-like properties. | J Med Chem 55: 9492-509 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
23098108 | 36 | Diphenyl purine derivatives as peripherally selective cannabinoid receptor 1 antagonists. | J Med Chem 55: 10022-32 (2012) | Research Triangle Institute | 2D 3D TSV |
23098091 | 91 | Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay. | J Med Chem 55: 10047-63 (2012) | Pfizer Inc | 2D 3D TSV |
23098072 | 13 | Novel toll-like receptor 2 ligands for targeted pancreatic cancer imaging and immunotherapy. | J Med Chem 55: 9751-62 (2012) | H. Lee Moffitt Cancer Center and Research Institute | 2D 3D TSV |
23098038 | 1 | Identification of small molecule inhibitors of amyloidß-induced neuronal apoptosis acting through the imidazoline I(2) receptor. | J Med Chem 55: 9838-46 (2012) | IMIM-Hospital del Mar Research Institute and University Pompeu Fabra | 2D 3D TSV |
23095041 | 16 | Identification of a chemical probe for bromo and extra C-terminal bromodomain inhibition through optimization of a fragment-derived hit. | J Med Chem 55: 9831-7 (2012) | Pfizer Inc | 2D 3D TSV |
23095008 | 1 | Identification of small-molecule enhancers of arginine methylation catalyzed by coactivator-associated arginine methyltransferase 1. | J Med Chem 55: 9875-90 (2012) | Universit£ degli Studi di Salerno | 2D 3D TSV |
23094992 | 6 | New adamantane phenylalkylamines withs-receptor binding affinity and anticancer activity, associated with putative antagonism of neuropathic pain. | J Med Chem 55: 10241-61 (2012) | National and Kapodistrian University of Athens | 2D 3D TSV |
23092389 | 5 | Lanostanoids from fungi: a group of potential anticancer compounds. | J Nat Prod 75: 2016-2044 (2012) | TBA | 2D 3D TSV |
23092360 | 19 | General synthesis ofß-alanine-containing spider polyamine toxins and discovery of nephila polyamine toxins 1 and 8 as highly potent inhibitors of ionotropic glutamate receptors. | J Med Chem 55: 10297-301 (2012) | University of Copenhagen | 2D 3D TSV |
23092294 | 75 | Discovery of highly potent and selectivea4ß2-nicotinic acetylcholine receptor (nAChR) partial agonists containing an isoxazolylpyridine ether scaffold that demonstrate antidepressant-like activity. Part II. | J Med Chem 55: 9998-10009 (2012) | University of Illinois at Chicago | 2D 3D TSV |
23092194 | 14 | From triclosan toward the clinic: discovery of nonbiocidal, potent FabI inhibitors for the treatment of resistant bacteria. | J Med Chem 55: 9914-28 (2012) | Mutabilis | 2D 3D TSV |
23089527 | 6 | The structural requirements of histone deacetylase inhibitors: suberoylanilide hydroxamic acid analogs modified at the C6 position. | Bioorg Med Chem Lett 22: 7084-6 (2012) | Wayne State University | 2D 3D TSV |
23089526 | 21 | The design and synthesis of indazole and pyrazolopyridine based glucokinase activators for the treatment of type 2 diabetes mellitus. | Bioorg Med Chem Lett 22: 7100-5 (2012) | Pfizer Inc | 2D 3D TSV |
23088644 | 39 | Design, synthesis, and biological evaluation of 3-(1H-1,2,3-triazol-1-yl)benzamide derivatives as Potent Pan Bcr-Abl inhibitors including the threonine(315)¿isoleucine(315) mutant. | J Med Chem 55: 10033-46 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
23088608 | 4 | Target Selectivity of FimH Antagonists. | J Med Chem 55: 9810-6 (2012) | University of Basel | 2D 3D TSV |
23088558 | 36 | Novel acidic 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitor with reduced acyl glucuronide liability: the discovery of 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid (AZD8329). | J Med Chem 55: 10136-47 (2012) | AstraZeneca | 2D 3D TSV |
23088521 | 12 | Novel 3-Azaindolyl-4-arylmaleimides exhibiting potent antiangiogenic efficacy, protein kinase inhibition, and antiproliferative activity. | J Med Chem 55: 9531-40 (2012) | Johannes Gutenberg University of Mainz | 2D 3D TSV |
23088498 | 8 | Bicyclization and tethering to albumin yields long-acting peptide antagonists. | J Med Chem 55: 10187-97 (2012) | Ecole Polytechnique F�d�rale de Lausanne | 2D 3D TSV |
23085772 | 82 | Investigations on the 4-quinolone-3-carboxylic acid motif. 6. Synthesis and pharmacological evaluation of 7-substituted quinolone-3-carboxamide derivatives as high affinity ligands for cannabinoid receptors. | Eur J Med Chem 58: 30-43 (2012) | Universit£ degli Studi di Siena | 2D 3D TSV |
23085105 | 30 | Synthesis and biological evaluation of imidazo[4,5-b]pyridine and 4-heteroaryl-pyrimidine derivatives as anti-cancer agents. | Eur J Med Chem 57: 311-22 (2012) | University of Nottingham | 2D 3D TSV |
23084906 | 42 | Development of macrocyclic inhibitors of HCV NS3/4A protease with cyclic constrained P2-P4 linkers. | Bioorg Med Chem Lett 22: 7207-13 (2012) | Merck Research Laboratories | 2D 3D TSV |
23084905 | 3 | Investigations into specificity of azepinomycin for inhibition of guanase: discrimination between the natural heterocyclic inhibitor and its synthetic nucleoside analogues. | Bioorg Med Chem Lett 22: 7214-8 (2012) | University of Maryland | 2D 3D TSV |
23084902 | 116 | Exploration of cathepsin S inhibitors characterized by a triazole P1-P2 amide replacement. | Bioorg Med Chem Lett 22: 7189-93 (2012) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
23084901 | 30 | Prohormone-substrate peptide sequence recognition by peptidylglycinea-amidating monooxygenase and its reflection in increased glycolate inhibitor potency. | Bioorg Med Chem Lett 22: 7015-8 (2012) | Australian National University | 2D 3D TSV |
23084899 | 102 | 4-Phenyl tetrahydroisoquinolines as dual norepinephrine and dopamine reuptake inhibitors. | Bioorg Med Chem Lett 22: 7219-22 (2012) | AMRI | 2D 3D TSV |
23084898 | 3 | Structure-based bioisosterism design, synthesis and biological evaluation of novel 1,2,4-triazin-6-ylthioacetamides as potent HIV-1 NNRTIs. | Bioorg Med Chem Lett 22: 7155-62 (2012) | Shandong University | 2D 3D TSV |
23084894 | 56 | Synthesis and SAR development of novel mGluR1 antagonists for the treatment of chronic pain. | Bioorg Med Chem Lett 22: 7223-6 (2012) | Merck Research Laboratories | 2D 3D TSV |
23084893 | 2 | Specific interactions between adenosine and streptavidin/avidin. | Bioorg Med Chem Lett 22: 7052-5 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
23084435 | 17 | Synthesis of N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamides as new selective ligands for sigma receptors. | Bioorg Med Chem 20: 6856-61 (2012) | Savannah State University | 2D 3D TSV |
23084278 | 21 | Structure-activity relationship exploration of Kv1.3 blockers based on diphenoxylate. | Bioorg Med Chem Lett 22: 7106-9 (2012) | Monash University (Parkville Campus) | 2D 3D TSV |
23084277 | 3 | Kibdelomycin A, a congener of kibdelomycin, derivatives and their antibacterial activities. | Bioorg Med Chem Lett 22: 7127-30 (2012) | Merck Research Laboratories | 2D 3D TSV |
23084275 | 48 | Design, synthesis and evaluation of novel zwitterionic compounds as PPARa/¿ dual agonists (1). | Bioorg Med Chem Lett 22: 7075-9 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
23083119 | 57 | Novel tetrahydropyrido[1,2-a]isoindolone derivatives (valmerins): potent cyclin-dependent kinase/glycogen synthase kinase 3 inhibitors with antiproliferative activities and antitumor effects in human tumor xenografts. | J Med Chem 55: 9589-606 (2012) | Universit£ d'Orl£ans | 2D 3D TSV |
23083093 | 25 | N-[5-(5-fluoropyridin-3-yl)-1H-pyrazol-3-yl]-4-piperidin-1-ylbutyramide (SEN78702, WYE-308775): a medicinal chemistry effort toward ana7 nicotinic acetylcholine receptor agonist preclinical candidate. | J Med Chem 55: 10277-81 (2012) | Siena Biotech SpA | 2D 3D TSV |
23083016 | 20 | Sulfonyl fluoride inhibitors of fatty acid amide hydrolase. | J Med Chem 55: 10074-89 (2012) | Northeastern University | 2D 3D TSV |
23082860 | 69 | Discovery of 3-alkoxyamino-5-(pyridin-2-ylamino)pyrazine-2-carbonitriles as selective, orally bioavailable CHK1 inhibitors. | J Med Chem 55: 10229-40 (2012) | The Institute of Cancer Research | 2D 3D TSV |
23079530 | 27 | Novel progesterone receptor modulators: 4-aryl-phenylsulfonamides. | Bioorg Med Chem Lett 22: 7119-22 (2012) | Pfizer Inc | 2D 3D TSV |
23079529 | 6 | Synthesis of enantiomerically pure perhydro-1,4-diazepine-2,5-dione and 1,4-piperazine-2,5-dione derivatives exhibiting potent activity as apoptosis inhibitors. | Bioorg Med Chem Lett 22: 7097-9 (2012) | Instituto de Qu£mica Avanzada de Catalu£a | 2D 3D TSV |
23079522 | 66 | Design, synthesis and SAR analysis of novel potent and selective small molecule antagonists of NPBWR1 (GPR7). | Bioorg Med Chem Lett 22: 7135-41 (2012) | The Scripps Research Institute | 2D 3D TSV |
23079519 | 86 | In vivo activity of an azole series of CCR2 antagonists. | Bioorg Med Chem Lett 22: 7252-5 (2012) | GlaxoSmithKline | 2D 3D TSV |
23078965 | 19 | Pyridonepezils, new dual AChE inhibitors as potential drugs for the treatment of Alzheimer's disease: synthesis, biological assessment, and molecular modeling. | Eur J Med Chem 57: 296-301 (2012) | Instituto de Qu£mica Org£nica General (CSIC) | 2D 3D TSV |
23078755 | 14 | Ana-carbonic anhydrase from the thermophilic bacterium Sulphurihydrogenibium azorense is the fastest enzyme known for the CO2 hydration reaction. | Bioorg Med Chem 21: 1465-9 (2013) | Istituto di Biochimica delle Proteine (IBP) | 2D 3D TSV |
23075414 | 7 | Inhibitor of ovarian cancer cells growth by virtual screening: a new thiazole derivative targeting human thymidylate synthase. | J Med Chem 55: 10272-6 (2012) | Universit£ degli Studi di Perugia | 2D 3D TSV |
23075267 | 85 | Discovery and lead optimization of a novel series of CC chemokine receptor 1 (CCR1)-selective piperidine antagonists via parallel synthesis. | J Med Chem 55: 9643-53 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23075067 | 98 | N-substituted phenoxazine and acridone derivatives: structure-activity relationships of potent P2X4 receptor antagonists. | J Med Chem 55: 9576-88 (2012) | University of Bonn | 2D 3D TSV |
23075044 | 3 | Small molecules that target protein misfolding. | J Med Chem 55: 10823-43 (2012) | Pfizer Inc. | 2D 3D TSV |
23074541 | 38 | Macrocyclic Hedgehog Pathway Inhibitors: Optimization of Cellular Activity and Mode of Action Studies. | ACS Med Chem Lett 3: 808-813 (2012) | TBA | 2D 3D TSV |
23073734 | 5 | Evaluation and prediction of potential drug-drug interactions of linagliptin using in vitro cell culture methods. | Drug Metab Dispos 41: 149-58 (2012) | Nippon Boehringer Ingelheim Co., Ltd. | 2D 3D TSV |
23072958 | 24 | Design, synthesis and pharmacological characterization of coumarin-based fluorescent analogs of excitatory amino acid transporter subtype 1 selective inhibitors, UCPH-101 and UCPH-102. | Bioorg Med Chem 20: 6831-9 (2012) | University of Copenhagen | 2D 3D TSV |
23072866 | 72 | Anion inhibition studies of the fastest carbonic anhydrase (CA) known, the extremo-CA from the bacterium Sulfurihydrogenibium azorense. | Bioorg Med Chem Lett 22: 7142-5 (2012) | Universit£ degli Studi di Firenze | 2D 3D TSV |
23072865 | 59 | Novel series of 3-amino-N-(4-aryl-1,1-dioxothian-4-yl)butanamides as potent and selective dipeptidyl peptidase IV inhibitors. | Bioorg Med Chem Lett 22: 7036-40 (2012) | Toray Industries Inc | 2D 3D TSV |
23072339 | 132 | Lead discovery, chemistry optimization, and biological evaluation studies of novel biamide derivatives as CB2 receptor inverse agonists and osteoclast inhibitors. | J Med Chem 55: 9973-87 (2012) | University of Pittsburgh | 2D 3D TSV |
23072213 | 32 | Discovery of 3-cyclopropylmethyl-7-(4-phenylpiperidin-1-yl)-8-trifluoromethyl[1,2,4]triazolo[4,3-a]pyridine (JNJ-42153605): a positive allosteric modulator of the metabotropic glutamate 2 receptor. | J Med Chem 55: 8770-89 (2012) | Janssen-Cilag S.A. | 2D 3D TSV |
23067554 | 37 | Synthesis and biological evaluation of 4,4-dimethyl lithocholic acid derivatives as novel inhibitors of protein tyrosine phosphatase 1B. | Bioorg Med Chem Lett 22: 7237-42 (2012) | East China Normal University | 2D 3D TSV |
23067552 | 8 | Synthetic bicyclic iminosugar derivatives fused thiazolidin-4-one as new potential HIV-RT inhibitors. | Bioorg Med Chem Lett 22: 7041-4 (2012) | Hebei University | 2D 3D TSV |
23067387 | 105 | Tricyclic sulfonamides incorporating benzothiopyrano[4,3-c]pyrazole and pyridothiopyrano[4,3-c]pyrazole effectively inhibita- andß-carbonic anhydrase: X-ray crystallography and solution investigations on 15 isoforms. | J Med Chem 55: 9619-29 (2012) | Universit£ di Pisa | 2D 3D TSV |
23067344 | 34 | Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor. | J Med Chem 55: 10148-59 (2012) | Yale University | 2D 3D TSV |
23067318 | 17 | An oral sphingosine 1-phosphate receptor 1 (S1P(1)) antagonist prodrug with efficacy in vivo: discovery, synthesis, and evaluation. | J Med Chem 55: 9722-34 (2012) | Novartis Pharma AG | 2D 3D TSV |
23066449 | 3 | Brain Penetrant LRRK2 Inhibitor. | ACS Med Chem Lett 3: 658-662 (2012) | TBA | 2D 3D TSV |
23066448 | 8 | Evolution of a Compact Photoprobe for the Dopamine Transporter Based on (±)-threo-Methylphenidate. | ACS Med Chem Lett 3: 378-382 (2012) | TBA | 2D 3D TSV |
23064123 | 30 | Selected C7-substituted chromone derivatives as monoamine oxidase inhibitors. | Bioorg Chem 1-11 (2012) | North-West University | 2D 3D TSV |
23063566 | 70 | Synthesis and biological evaluation of new 5-benzylated 4-oxo-3,4-dihydro-5H-pyridazino[4,5-b]indoles as PI3Ka inhibitors. | Eur J Med Chem 57: 225-33 (2012) | Universit£ de Nantes | 2D 3D TSV |
23063522 | 8 | Identification of a novel Smoothened antagonist that potently suppresses Hedgehog signaling. | Bioorg Med Chem 20: 6751-7 (2012) | Duke University Medical Center | 2D 3D TSV |
23063403 | 21 | Recent results in protein kinase inhibition for tropical diseases. | Bioorg Med Chem Lett 22: 6788-93 (2012) | Montclair State University | 2D 3D TSV |
23062825 | 37 | Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. | Bioorg Med Chem 20: 6669-79 (2012) | Abo Akademi University | 2D 3D TSV |
23062824 | 72 | Structure-activity relationship studies of 4-benzyl-1H-pyrazol-3-ylß-d-glucopyranoside derivatives as potent and selective sodium glucose co-transporter 1 (SGLT1) inhibitors with therapeutic activity on postprandial hyperglycemia. | Bioorg Med Chem 20: 6598-612 (2012) | Kissei Pharmaceutical Company | 2D 3D TSV |
23062821 | 51 | Dimeric Smac mimetics/IAP inhibitors as in vivo-active pro-apoptotic agents. Part II: Structural and biological characterization. | Bioorg Med Chem 20: 6709-23 (2012) | Fondazione IRCCS Istituto Nazionale dei Tumori | 2D 3D TSV |
23062820 | 41 | Synthesis and structure-activity relationships of 8-substituted-2-aryl-5-alkylaminoquinolines: Potent, orally active corticotropin-releasing factor-1 receptor antagonists. | Bioorg Med Chem 20: 6559-78 (2012) | Eisai Co., Ltd | 2D 3D TSV |
23062711 | 42 | Synthesis, biological evaluation and molecular modeling of dihydro-pyrazolyl-thiazolinone derivatives as potential COX-2 inhibitors. | Bioorg Med Chem 20: 6648-54 (2012) | Nanjing University | 2D 3D TSV |
23062551 | 14 | Development of anti-coxsackievirus agents targeting 3C protease. | Bioorg Med Chem Lett 22: 6952-6 (2012) | Gwangju Institute of School of Life Sciences | 2D 3D TSV |
23062550 | 59 | Synthesis and biological characterization of a series of novel diaryl amide M1 antagonists. | Bioorg Med Chem Lett 22: 6923-8 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
23061660 | 92 | Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors. | J Med Chem 55: 10090-107 (2012) | Genentech | 2D 3D TSV |
23061607 | 10 | Organosilicon molecules with medicinal applications. | J Med Chem 56: 388-405 (2013) | University of California Davis | 2D 3D TSV |
23061376 | 63 | Pharmacokinetic optimization of class-selective histone deacetylase inhibitors and identification of associated candidate predictive biomarkers of hepatocellular carcinoma tumor response. | J Med Chem 55: 8903-25 (2012) | Roche R & D Center China Ltd | 2D 3D TSV |
23059546 | 2 | Synthesis and pharmacological evaluation of pyrazolo[4,3-c]cinnoline derivatives as potential anti-inflammatory and antibacterial agents. | Eur J Med Chem 57: 176-84 (2012) | Jamia Hamdard (Hamdard University) | 2D 3D TSV |
23059543 | 39 | Synthesis, DNA-PK inhibition, anti-platelet activity studies of 2-(N-substituted-3-aminopyridine)-substituted-1,3-benzoxazines and DNA-PK and PI3K inhibition, homology modelling studies of 2-morpholino-(7,8-di and 8-substituted)-1,3-benzoxazines. | Eur J Med Chem 57: 85-101 (2012) | La Trobe University | 2D 3D TSV |
23059542 | 2 | Novel pyrimidopyrimidine derivatives for inhibition of cellular proliferation and motility induced by h-prune in breast cancer. | Eur J Med Chem 57: 41-50 (2012) | Universit£ degli Studi di Napoli Federico II | 2D 3D TSV |
23058884 | 27 | Discovery of novel pyrrolopyridazine scaffolds as transient receptor potential vanilloid (TRPV1) antagonists. | Bioorg Med Chem Lett 22: 6888-95 (2012) | AstraZeneca | 2D 3D TSV |
23058883 | 3 | Elevation of cellular O-GlcNAcylation level by a potent and selective O-GlcNAcase inhibitor based on tetrahydroimidazopyridine scaffold. | Bioorg Med Chem Lett 22: 6854-7 (2012) | Nankai University | 2D 3D TSV |
23051174 | 16 | In vivo and in vitro effect of androstene derivatives as 5a-reductase type 1 enzyme inhibitors. | J Enzyme Inhib Med Chem 28: 1247-54 (2013) | National University of Mexico City | 2D 3D TSV |
23050738 | 10 | Structure-aided design of novel inhibitors of HIV protease based on a benzodiazepine scaffold. | J Med Chem 55: 10130-5 (2012) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
23050700 | 2 | A bactericidal guanidinomethyl biaryl that alters the dynamics of bacterial FtsZ polymerization. | J Med Chem 55: 10160-76 (2012) | University of Medicine and Dentistry of New Jersey | 2D 3D TSV |
23050058 | 16 | Optimized 5-membered heterocycle-linked pterins for the inhibition of Ricin Toxin A. | ACS Med Chem Lett 3: 588-591 (2012) | TBA | 2D 3D TSV |
23049232 | 21 | Serotonin transporter activity of imidazolidine-2,4-dione and imidazo[2,1-f]purine-2,4-dione derivatives in aspect of their acid-base properties. | Med Chem Res 21: 3455-3459 (2012) | Jagiellonian University Medical College | 2D 3D TSV |
23047230 | 13 | Synthesis and SAR studies of mono O-prenylated coumarins as potent 15-lipoxygenase inhibitors. | Eur J Med Chem 57: 134-42 (2012) | Mashhad University of Medical Sciences | 2D 3D TSV |
23047228 | 24 | Synthesis and biological activities of polyquinoline derivatives: new Bcl-2 family protein modulators. | Eur J Med Chem 57: 112-25 (2012) | Clermont Universit£ | 2D 3D TSV |
23047226 | 72 | Synthesis and biological evaluation of 2-benzylamino-4(5)-(6-methylpyridin-2-yl)-5(4)-([1,2,4]triazolo[1,5-a]-pyridin-6-yl)thiazoles as transforming growth factor-ß type 1 receptor kinase inhibitors. | Eur J Med Chem 57: 74-84 (2012) | Ewha Womans University | 2D 3D TSV |
23047224 | 24 | Molecular modeling, synthesis and screening of some new 4-thiazolidinone derivatives with promising selective COX-2 inhibitory activity. | Eur J Med Chem 57: 59-64 (2012) | Hacettepe University | 2D 3D TSV |
23047001 | 30 | Design, synthesis and biological evaluation of benzothiazepinones (BTZs) as novel non-ATP competitive inhibitors of glycogen synthase kinase-3ß (GSK-3ß). | Eur J Med Chem 61: 95-103 (2013) | Fudan University | 2D 3D TSV |
23046966 | 43 | Discovery and characterization of AZD9272 and AZD6538-Two novel mGluR5 negative allosteric modulators selected for clinical development. | Bioorg Med Chem Lett 22: 6974-9 (2012) | AstraZeneca | 2D 3D TSV |
23046963 | 23 | Pyrrolidinyl phenylurea derivatives as novel CCR3 antagonists. | Bioorg Med Chem Lett 22: 6876-81 (2012) | Toray Industries Inc | 2D 3D TSV |
23046961 | 27 | Heterocyclic methylsulfone hydroxamic acid LpxC inhibitors as Gram-negative antibacterial agents. | Bioorg Med Chem Lett 22: 6832-8 (2012) | Pfizer Inc | 2D 3D TSV |
23046960 | 2 | 2-(N-Benzyl-N-phenylsulfonamido)alkyl amide derivatives as ?-secretase inhibitors. | Bioorg Med Chem Lett 22: 6828-31 (2012) | Bristol-Myers Squibb R&D | 2D 3D TSV |
23046280 | 21 | Discovery of inhibitors to block interactions of HIV-1 integrase with human LEDGF/p75 via structure-based virtual screening and bioassays. | J Med Chem 55: 10108-17 (2012) | East China University of Science and Technology | 2D 3D TSV |
23044371 | 10 | 2-(4-Chlorophenyl)-2-oxoethyl 4-benzamidobenzoate derivatives, a novel class of SENP1 inhibitors: Virtual screening, synthesis and biological evaluation. | Bioorg Med Chem Lett 22: 6867-70 (2012) | Shanghai Jiao Tong University | 2D 3D TSV |
23043765 | 1 | Synthesis and antithrombotic evaluation of novel dabigatran prodrugs containing a cleavable moiety with anti-platelet activity. | Eur J Med Chem 57: 21-8 (2012) | China Pharmaceutical University | 2D 3D TSV |
23043764 | 70 | Design, synthesis, and evaluation of 2-substituted ethenesulfonic acid ester derivatives as protein tyrosine phosphatase 1B inhibitors. | Eur J Med Chem 57: 10-20 (2012) | Shanghai Jiao Tong University | 2D 3D TSV |
23043539 | 60 | Optimization of imidazo[4,5-b]pyridine-based kinase inhibitors: identification of a dual FLT3/Aurora kinase inhibitor as an orally bioavailable preclinical development candidate for the treatment of acute myeloid leukemia. | J Med Chem 55: 8721-34 (2012) | The Institute of Cancer Research | 2D 3D TSV |
23043442 | 30 | Rational design of conformationally constrained cyclopentapeptide antagonists for C-x-C chemokine receptor 4 (CXCR4). | J Med Chem 55: 10287-91 (2012) | University of Troms£ | 2D 3D TSV |
23043430 | 12 | Pyrimidine-fused heterocycle derivatives as a novel class of inhibitors for a-glucosidase. | J Enzyme Inhib Med Chem 28: 1228-35 (2013) | Shiraz University | 2D 3D TSV |
23043420 | 61 | Discovery and pharmacological profile of new 1H-indazole-3-carboxamide and 2H-pyrrolo[3,4-c]quinoline derivatives as selective serotonin 4 receptor ligands. | J Med Chem 55: 9446-66 (2012) | Angelini Santa Palomba Research Center | 2D 3D TSV |
23043329 | 6 | Discovery of selective and potent inhibitors of gram-positive bacterial thymidylate kinase (TMK). | J Med Chem 55: 10010-21 (2012) | AstraZeneca | 2D 3D TSV |
23043306 | 69 | Systematic in vivo screening of a series of 1-propyl-4-arylpiperidines against dopaminergic and serotonergic properties in rat brain: a scaffold-jumping approach. | J Med Chem 55: 9735-50 (2012) | NeuroSearch Sweden AB | 2D 3D TSV |
23043291 | 4 | Phthalazine derivatives containing imidazole rings behave as Fe-SOD inhibitors and show remarkable anti-T. cruzi activity in immunodeficient-mouse mode of infection. | J Med Chem 55: 9900-13 (2012) | Universidad de Granada | 2D 3D TSV |
23043264 | 20 | Fumaroylamino-4,5-epoxymorphinans and related opioids with irreversibleµ opioid receptor antagonist effects. | J Med Chem 55: 9868-74 (2012) | University of Bristol | 2D 3D TSV |
23043242 | 29 | Influence of chlorine or fluorine substitution on the estrogenic properties of 1-alkyl-2,3,5-tris(4-hydroxyphenyl)-1H-pyrroles. | J Med Chem 55: 9607-18 (2012) | Freie Universit£t Berlin | 2D 3D TSV |
23043222 | 125 | Identification and characterization of carprofen as a multitarget fatty acid amide hydrolase/cyclooxygenase inhibitor. | J Med Chem 55: 8807-26 (2012) | Istituto Italiano di Tecnologia | 2D 3D TSV |
23041456 | 10 | The Substrate-Activity-Screening methodology applied to receptor tyrosine kinases: a proof-of-concept study. | Eur J Med Chem 57: 1-9 (2012) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
23041347 | 33 | Design, synthesis, and bioevaluation of benzamides: novel acetylcholinesterase inhibitors with multi-functions on butylcholinesterase, Aß aggregation, andß-secretase. | Bioorg Med Chem 20: 6739-50 (2012) | Central China Normal University | 2D 3D TSV |
23041041 | 43 | Rational design of apoptosis signal-regulating kinase 1 inhibitors: discovering novel structural scaffold. | Eur J Med Chem 61: 104-15 (2013) | NAS of Ukraine | 2D 3D TSV |
23040896 | 11 | Trimeric purine nucleoside phosphorylase: exploring postulated one-third-of-the-sites binding in the transition state. | Bioorg Med Chem 20: 6758-69 (2012) | University of Warsaw | 2D 3D TSV |
23040895 | 37 | Adamantyl carboxamides and acetamides as potent human 11ß-hydroxysteroid dehydrogenase type 1 inhibitors. | Bioorg Med Chem 20: 6394-402 (2012) | University of Bath | 2D 3D TSV |
23040893 | 3 | Synthesis of 1,5-diarylhaloimidazole analogs and their inhibitory activities against PGE2 production from LPS-treated RAW 264.7 cells. | Bioorg Med Chem 20: 6256-9 (2012) | College of Pharmacy | 2D 3D TSV |
23040732 | 12 | Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking. | Bioorg Med Chem Lett 22: 6848-53 (2012) | East China University of Science and Technology | 2D 3D TSV |
23040731 | 4 | Viridin analogs derived from steroidal building blocks. | Bioorg Med Chem Lett 22: 6919-22 (2012) | University of Connecticut | 2D 3D TSV |
23039927 | 44 | Multitargeted drug development: Discovery and profiling of dihydroxy substituted 1-aza-9-oxafluorenes as lead compounds targeting Alzheimer disease relevant kinases. | Bioorg Med Chem Lett 22: 6914-8 (2012) | Martin-Luther-University Halle-Wittenberg | 2D 3D TSV |
23036955 | 59 | N,N-Dimethyl-[9-(arylsulfonyl)-2,3,4,9-tetrahydro-1H-carbazol-3-yl]amines as novel, potent and selective 5-HT6 receptor antagonists. | Bioorg Med Chem Lett 22: 6980-5 (2012) | Suven Life Sciences Ltd | 2D 3D TSV |
23036954 | 27 | Design, synthesis, and structure-activity-relationship of phenyl imidazoles as potent Smoothened antagonists. | Bioorg Med Chem Lett 22: 6573-6 (2012) | Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
23036952 | 4 | Synthesis and biological evaluation of new phenothiazine derivatives bearing a pyrazole unit as protein farnesyltransferase inhibitors. | Bioorg Med Chem Lett 22: 6896-902 (2012) | 'Al. I. Cuza' University of Iasi | 2D 3D TSV |
23036333 | 77 | Development and characterization of endocannabinoid hydrolases FAAH and MAGL inhibitors bearing a benzotriazol-1-yl carboxamide scaffold. | Bioorg Med Chem 20: 6260-75 (2012) | Sapienza University of Rome | 2D 3D TSV |
23035716 | 32 | Design and synthesis of inhibitors of Plasmodium falciparum N-myristoyltransferase, a promising target for antimalarial drug discovery. | J Med Chem 55: 8879-90 (2012) | Imperial College | 2D 3D TSV |
23034936 | 1 | The story of a new insecticidal chemistry class: the diamides. | Pest Manag Sci 69: 7-14 (2013) | Syngenta Crop Protection M£nchwilen AG | 2D 3D TSV |
23033965 | 37 | Combining galantamine and memantine in multitargeted, new chemical entities potentially useful in Alzheimer's disease. | J Med Chem 55: 9708-21 (2012) | Istituto Italiano di Tecnologia | 2D 3D TSV |
23033255 | 177 | Discovery and characterization of novel, potent, and selective cytochrome P450 2J2 inhibitors. | Drug Metab Dispos 41: 60-71 (2012) | Tongji University | 2D 3D TSV |
23031649 | 4 | The therapeutic journey of benzimidazoles: a review. | Bioorg Med Chem 20: 6208-36 (2012) | Punjabi University | 2D 3D TSV |
23031648 | 30 | Role of the side chain stereochemistry in thea-glucosidase inhibitory activity of kotalanol, a potent naturala-glucosidase inhibitor. Part 2. | Bioorg Med Chem 20: 6321-34 (2012) | Kinki University | 2D 3D TSV |
23031596 | 21 | Diarylheptanoid glycosides from Tacca plantaginea and their effects on NF-¿B activation and PPAR transcriptional activity. | Bioorg Med Chem Lett 22: 6681-7 (2012) | Chungnam National University | 2D 3D TSV |
23031594 | 2 | Hydrolytic instability of the important orexin 1 receptor antagonist SB-334867: possible confounding effects on in vivo and in vitro studies. | Bioorg Med Chem Lett 22: 6661-4 (2012) | Research Triangle Institute | 2D 3D TSV |
23031591 | 90 | The discovery of CCR3/H1 dual antagonists with reduced hERG risk. | Bioorg Med Chem Lett 22: 6688-93 (2012) | AstraZeneca | 2D 3D TSV |
23031590 | 1 | Identification of a glutathione peroxidase inhibitor that reverses resistance to anticancer drugs in human B-cell lymphoma cell lines. | Bioorg Med Chem Lett 22: 6712-5 (2012) | Ernst-Moritz-Arndt University Greifswald | 2D 3D TSV |
23031230 | 5 | Optimization of a direct spectrophotometric method to investigate the kinetics and inhibition of sialidases. | BMC Biochem 13: 19 (2012) | Università degli Studi di Siena | 2D 3D TSV |
23030502 | 86 | Acyl guanidine inhibitors ofß-secretase (BACE-1): optimization of a micromolar hit to a nanomolar lead via iterative solid- and solution-phase library synthesis. | J Med Chem 55: 9208-23 (2012) | Bristol-Myers Squibb Research | 2D 3D TSV |
23030453 | 58 | Structure-based discovery of BM-957 as a potent small-molecule inhibitor of Bcl-2 and Bcl-xL capable of achieving complete tumor regression. | J Med Chem 55: 8502-14 (2012) | University of Michigan | 2D 3D TSV |
23026084 | 17 | Lead optimization studies towards the discovery of novel carbamates as potent AChE inhibitors for the potential treatment of Alzheimer's disease. | Bioorg Med Chem 20: 6313-20 (2012) | CSIR-Central Drug Research Institute | 2D 3D TSV |
23026082 | 1 | The antitumor agent doxorubicin binds to Fanconi anemia group F protein. | Bioorg Med Chem 20: 6248-55 (2012) | Tokyo University of Science | 2D 3D TSV |
23026080 | 146 | Active site mapping of trypsin, thrombin and matriptase-2 by sulfamoyl benzamidines. | Bioorg Med Chem 20: 6489-505 (2012) | University of Bonn | 2D 3D TSV |
23025999 | 33 | Structure-based design of pyridopyrimidinediones as dipeptidyl peptidase IV inhibitors. | Bioorg Med Chem Lett 22: 6628-31 (2012) | Takeda California Inc | 2D 3D TSV |
23025998 | 20 | Identification of a novel and orally available benzimidazole derivative as an NPY Y5 receptor antagonist with in vivo efficacy. | Bioorg Med Chem Lett 22: 6554-8 (2012) | Shionogi & Co., Ltd | 2D 3D TSV |
23025996 | 4 | Identification of novel 3,5-diarylpyrazoline derivatives containing salicylamide moiety as potential anti-melanoma agents. | Bioorg Med Chem Lett 22: 6596-601 (2012) | Nanjing University | 2D 3D TSV |
23025891 | 169 | Structure-activity studies of 7-heteroaryl-3-azabicyclo[3.3.1]non-6-enes: a novel class of highly potent nicotinic receptor ligands. | J Med Chem 55: 9929-45 (2012) | Targacept Inc | 2D 3D TSV |
23025824 | 6 | Inhibition of Acyl-CoA: cholesterol acyltransferase (ACAT), overexpression of cholesterol transporter gene, and protection of amyloidß (Aß) oligomers-induced neuronal cell death by tricyclic pyrone molecules. | J Med Chem 55: 8969-73 (2012) | Kansas State University | 2D 3D TSV |
23025805 | 74 | Synthetic silvestrol analogues as potent and selective protein synthesis inhibitors. | J Med Chem 55: 8859-78 (2012) | Infinity Pharmaceuticals Inc | 2D 3D TSV |
23025786 | 28 | Radiofluorinated derivatives of 2-(phosphonomethyl)pentanedioic acid as inhibitors of prostate specific membrane antigen (PSMA) for the imaging of prostate cancer. | J Med Chem 55: 9510-20 (2012) | Bayer HealthCare | 2D 3D TSV |
23025719 | 32 | Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. | J Med Chem 55: 9055-68 (2012) | Pfizer Inc | 2D 3D TSV |
23023261 | 6 | Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function. | Nat Chem Biol 8: 920-5 (2012) | Astex Pharmaceuticals | 2D 3D TSV |
23022281 | 7 | New prenylated isoflavonoids as protein tyrosine phosphatase 1B (PTP1B) inhibitors from Erythrina addisoniae. | Bioorg Med Chem 20: 6459-64 (2012) | Chosun University | 2D 3D TSV |
23022278 | 14 | Design, synthesis and in vitro evaluation of a series ofa-substituted phenylpropanoic acid PPAR¿ agonists to further investigate the stereochemistry-activity relationship. | Bioorg Med Chem 20: 6375-83 (2012) | Okayama University | 2D 3D TSV |
23022277 | 13 | Synthesis, biological activity and structure-activity relationship of endomorphin-1/substance P derivatives. | Bioorg Med Chem 20: 6335-43 (2012) | The University of Queensland | 2D 3D TSV |
23022052 | 6 | A novel spirocyclic tropanyl-¿²-isoxazoline derivative enhances citalopram and paroxetine binding to serotonin transporters as well as serotonin uptake. | Bioorg Med Chem 20: 6344-55 (2012) | Universit£ degli Studi di Milano | 2D 3D TSV |
23021994 | 108 | Identification of pyrimidine derivatives as hSMG-1 inhibitors. | Bioorg Med Chem Lett 22: 6636-41 (2012) | Pfizer Inc | 2D 3D TSV |
23021991 | 153 | Scaffold-hopping with zwitterionic CCR3 antagonists: identification and optimisation of a series with good potency and pharmacokinetics leading to the discovery of AZ12436092. | Bioorg Med Chem Lett 22: 6694-9 (2012) | AstraZeneca | 2D 3D TSV |
23021342 | 1 | Improving the affinity of naphthalene diimide ligand to telomeric DNA by incorporating Zn²¿ ions into its dipicolylamine groups. | Bioorg Med Chem 20: 6416-22 (2012) | Research Center for Bio-microsensing Technology | 2D 3D TSV |
23021104 | 32 | Cyclic tetrapeptides with thioacetate tails or intramolecular disulfide bridge as potent inhibitors of histone deacetylases. | Bioorg Med Chem Lett 22: 6770-2 (2012) | Graduate School of Life Science and Systems Engineering | 2D 3D TSV |
23018096 | 16 | Design, synthesis and biological evaluation of heterocyclic azoles derivatives containing pyrazine moiety as potential telomerase inhibitors. | Bioorg Med Chem 20: 6356-65 (2012) | Nanjing University | 2D 3D TSV |
23018095 | 36 | Salicylaldoxime derivatives as new leads for the development of carbonic anhydrase inhibitors. | Bioorg Med Chem 21: 1511-5 (2013) | Universit£ degli Studi di Pisa | 2D 3D TSV |
23018094 | 16 | Identification of a 2-phenyl-substituted octahydrobenzo[f]quinoline as a dopamine D3 receptor-selective full agonist ligand. | Bioorg Med Chem 20: 6366-74 (2012) | Purdue University | 2D 3D TSV |
23018093 | 41 | Targeting conserved water molecules: design of 4-aryl-5-cyanopyrrolo[2,3-d]pyrimidine Hsp90 inhibitors using fragment-based screening and structure-based optimization. | Bioorg Med Chem 20: 6770-89 (2012) | Vernalis Ltd | 2D 3D TSV |
23017888 | 26 | 4-Substituted-2-phenylquinazolines as inhibitors of BCRP. | Bioorg Med Chem Lett 22: 6766-9 (2012) | University of Bonn | 2D 3D TSV |
23017884 | 4 | Formylated polyamines as peptidomimetics. | Bioorg Med Chem Lett 22: 6580-2 (2012) | The Scripps Research Institute | 2D 3D TSV |
23017883 | 4 | Evaluation of structure-derived pharmacophore of soluble epoxide hydrolase inhibitors by virtual screening. | Bioorg Med Chem Lett 22: 6762-5 (2012) | Johann Wolfgang Goethe University | 2D 3D TSV |
23017078 | 62 | 4-Oxo-1,4-dihydropyridines as selective CB2 cannabinoid receptor ligands. Part 2: discovery of new agonists endowed with protective effect against experimental colitis. | J Med Chem 55: 8948-52 (2012) | University of Lille | 2D 3D TSV |
23017051 | 69 | New aminoimidazoles asß-secretase (BACE-1) inhibitors showing amyloid-ß (Aß) lowering in brain. | J Med Chem 55: 9297-311 (2012) | AstraZeneca | 2D 3D TSV |
23016952 | 71 | 14-Alkoxy- and 14-acyloxypyridomorphinans:µ agonist/d antagonist opioid analgesics with diminished tolerance and dependence side effects. | J Med Chem 55: 8350-63 (2012) | Southern Research Institute | 2D 3D TSV |
23013933 | 59 | Optimisation of pharmacokinetic properties in a neutral series of 11ß-HSD1 inhibitors. | Bioorg Med Chem Lett 22: 6756-61 (2012) | AstraZeneca | 2D 3D TSV |
23013292 | 1 | Effect of phospholipid-based formulations of Boswellia serrata extract on the solubility, permeability, and absorption of the individual boswellic acid constituents present. | J Nat Prod 75: 1675-82 (2012) | Central Laboratory of German Pharmacists | 2D 3D TSV |
23013229 | 24 | Enantiomerically pure 1,3-dioxanes as highly selective NMDA ands1 receptor ligands. | J Med Chem 55: 8953-7 (2012) | Westf£lische Wilhelms-Universit£t M£nster | 2D 3D TSV |
23010455 | 108 | Synthesis of C-cinnamoyl glycosides and their inhibitory activity against mammalian carbonic anhydrases. | Bioorg Med Chem 21: 1489-94 (2013) | Universidad Nacional de La Plata | 2D 3D TSV |
23010274 | 48 | Discovery of 4-morpholino-pyrimidin-6-one and 4-morpholino-pyrimidin-2-one-containing Phosphoinositide 3-kinase (PI3K) p110ß isoform inhibitors through structure-based fragment optimisation. | Bioorg Med Chem Lett 22: 6665-70 (2012) | AstraZeneca | 2D 3D TSV |
23010271 | 7 | Novel cyanocombretastatins as potent tubulin polymerisation inhibitors. | Bioorg Med Chem Lett 22: 6731-4 (2012) | University of Salford | 2D 3D TSV |
23010270 | 25 | Synthesis and pharmacological evaluation of N-substituted 2-(2-oxo-2H-chromen-4-yloxy)propanamide as cyclooxygenase inhibitors. | Bioorg Med Chem Lett 22: 6745-9 (2012) | University of Hyderabad Campus | 2D 3D TSV |
23010269 | 145 | Discovery of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4-nitrobenzoate (ML221) as a functional antagonist of the apelin (APJ) receptor. | Bioorg Med Chem Lett 22: 6656-60 (2012) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
23010268 | 32 | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. | Bioorg Med Chem Lett 22: 6721-7 (2012) | Medivir AB | 2D 3D TSV |
23010267 | 23 | Novel sulfanylphthalimide analogues as highly potent inhibitors of monoamine oxidase B. | Bioorg Med Chem Lett 22: 6632-5 (2012) | North-West University | 2D 3D TSV |
23010266 | 24 | Novel histone deacetylase 8 ligands without a zinc chelating group: exploring an 'upside-down' binding pose. | Bioorg Med Chem Lett 22: 6621-7 (2012) | University of Illinois at Chicago | 2D 3D TSV |
23010264 | 14 | [18F](R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4-(2-fluoroethoxy)-2,5-dimethyl phenylamino)pyrazin-2(1H)-one: introduction of N3-phenylpyrazinones as potential CRF-R1 PET imaging agents. | Bioorg Med Chem Lett 22: 6651-5 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
23010262 | 46 | Discovery of phosphoinositide 3-kinases (PI3K) p110ß isoform inhibitor 4-[2-hydroxyethyl(1-naphthylmethyl)amino]-6-[(2S)-2-methylmorpholin-4-yl]-1H-pyrimidin-2-one, an effective antithrombotic agent without associated bleeding and insulin resistance. | Bioorg Med Chem Lett 22: 6671-6 (2012) | AstraZeneca | 2D 3D TSV |
23009660 | 17 | Structure-activity relationships of bergenin derivatives effect on a-glucosidase inhibition. | J Enzyme Inhib Med Chem 28: 1162-70 (2013) | Kinki University | 2D 3D TSV |
23009604 | 17 | Synthesis and characterization of 5,7-dihydroxyflavanone derivatives as novel protein tyrosine phosphatase 1B inhibitors. | J Enzyme Inhib Med Chem 28: 1199-204 (2013) | Yanbian University College of Pharmacy | 2D 3D TSV |
23009245 | 53 | Orally active metabotropic glutamate subtype 2 receptor positive allosteric modulators: structure-activity relationships and assessment in a rat model of nicotine dependence. | J Med Chem 55: 9434-45 (2012) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
23009203 | 39 | Selective histone deacetylase 6 inhibitors bearing substituted urea linkers inhibit melanoma cell growth. | J Med Chem 55: 9891-9 (2012) | University of Illinois at Chicago | 2D 3D TSV |
23009169 | 19 | Development of oseltamivir phosphonate congeners as anti-influenza agents. | J Med Chem 55: 8657-70 (2012) | The Genomics Research Center | 2D 3D TSV |
23009151 | 4 | Discovery of novel inhibitors of amyloid ?-peptide 1-42 aggregation. | J Med Chem 55: 9521-30 (2012) | Universidad de Zaragoza | 2D 3D TSV |
23006639 | 3 | Optimization of anti-Trypanosoma cruzi oxadiazoles leads to identification of compounds with efficacy in infected mice. | Bioorg Med Chem 20: 6423-33 (2012) | Universidade Federal de Pernambuco | 2D 3D TSV |
23006603 | 5 | Structure-guided design, synthesis and biological evaluation of novel DNA ligase inhibitors with in vitro and in vivo anti-staphylococcal activity. | Bioorg Med Chem Lett 22: 6705-11 (2012) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
23006064 | 71 | 5-Arylidenethioxothiazolidinones as inhibitors of tyrosyl-DNA phosphodiesterase I. | J Med Chem 55: 8671-84 (2012) | University of Minnesota | 2D 3D TSV |
23006041 | 32 | Design, synthesis, and structure-activity relationships of highly potent 5-HT3 receptor ligands. | J Med Chem 55: 8603-14 (2012) | VU University Amsterdam | 2D 3D TSV |
23006002 | 35 | Design, synthesis, and pharmacological evaluation of piperidin-4-yl amino aryl sulfonamides: novel, potent, selective, orally active, and brain penetrant 5-HT6 receptor antagonists. | J Med Chem 55: 9255-69 (2012) | Suven Life Sciences Ltd | 2D 3D TSV |
23002419 | 30 | From in Silico Discovery to intra-Cellular Activity: Targeting JNK-Protein Interactions with Small Molecules. | ACS Med Chem Lett 3: 721-725 (2012) | TBA | 2D 3D TSV |
23000296 | 40 | Novel multipotent phenylthiazole-tacrine hybrids for the inhibition of cholinesterase activity,ß-amyloid aggregation and Ca²¿ overload. | Bioorg Med Chem 20: 6513-22 (2012) | Huazhong University of Science and Technology | 2D 3D TSV |