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24999828 2 In vitro evaluation of potential bitterness-masking terpenoids from the Canada goldenrod (Solidago canadensis).EBI J Nat Prod 77: 1739-43 (2014) The Ohio State University 2D 3D TSV
24999749 1 A potent HDAC inhibitor, 1-alaninechlamydocin, from a Tolypocladium sp. induces G2/M cell cycle arrest and apoptosis in MIA PaCa-2 cells.EBI J Nat Prod 77: 1753-7 (2014) University of Oklahoma 2D 3D TSV
24999562 10 Discovery of selective hexapeptide agonists to human neuromedin U receptors types 1 and 2.EBI J Med Chem 57: 6583-93 (2014) Tokyo University of Pharmacy and Life Sciences 2D 3D TSV
24998602 17 Synthesis and biological evaluation of tetrahydro[1,4]diazepino[1,2-a]indol-1-ones as cyclin-dependent kinase inhibitors.EBI Eur J Med Chem 83: 617-29 (2014) Universit£ de Lyon 2D 3D TSV
24998378 62 Discovery of triazines as selective PDE4B versus PDE4D inhibitors.EBI Bioorg Med Chem Lett 24: 4031-4 (2014) Northern Illinois University 2D 3D TSV
24997687 3 Inhibition of the lymphoid tyrosine phosphatase: the effect of zinc(II) ions and chelating ligand fragments on enzymatic activity.EBI Bioorg Med Chem Lett 24: 4019-22 (2014) University of Utah 2D 3D TSV
24997686 9 Synthesis and biological evaluation of 2,3'-diindolylmethanes as agonists of aryl hydrocarbon receptor.EBI Bioorg Med Chem Lett 24: 4023-5 (2014) University of Wisconsin 2D 3D TSV
24997685 39 The discovery of indole full agonists of the neurotensin receptor 1 (NTSR1).EBI Bioorg Med Chem Lett 24: 3974-8 (2014) The Scripps Research Institute 2D 3D TSV
24997578 41 Design and synthesis of CHAP31, trapoxin B and HC-toxin based bicyclic tetrapeptides disulfide as potent histone deacetylase inhibitors.EBI Bioorg Med Chem 22: 3850-5 (2014) University of Rajshahi 2D 3D TSV
24997577 17 Structure-based optimization and biological evaluation of trisubstituted pyrazole as a core structure of potent ROS1 kinase inhibitors.EBI Bioorg Med Chem 22: 3871-8 (2014) Yonsei University 2D 3D TSV
24997293 16 Pyridopyrimidinone inhibitors of HIV-1 RNase H.EBI Eur J Med Chem 83: 609-16 (2014) GlaxoSmithKline 2D 3D TSV
24996144 20 Design, synthesis and structure-activity relationships of novel 4-phenoxyquinoline derivatives containing pyridazinone moiety as potential antitumor agents.EBI Eur J Med Chem 83: 581-93 (2014) Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) 2D 3D TSV
24996140 26 Aryl-1,3,5-triazine derivatives as histamine H4 receptor ligands.EBI Eur J Med Chem 83: 534-46 (2014) Jagiellonian University Medical College 2D 3D TSV
24996139 26 Identification, pharmacological evaluation and binding mode analysis of novel chromene and chromane baseds1 receptor ligands.EBI Eur J Med Chem 83: 526-33 (2014) University of Trieste 2D 3D TSV
24992874 58 Discovery of 9-(1-anilinoethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as PI3Kß/d inhibitors for the treatment of PTEN-deficient tumours.EBI Bioorg Med Chem Lett 24: 3928-35 (2014) AstraZeneca 2D 3D TSV
24992702 2 Spongiapyridine and related spongians isolated from an Indonesian Spongia sp.EBI J Nat Prod 77: 1644-9 (2014) University of Hawaii at Manoa 2D 3D TSV
24992374 33 Lead optimization of P5U and urantide: discovery of novel potent ligands at the urotensin-II receptor.EBI J Med Chem 57: 5965-74 (2014) University of Naples"Federico II" 2D 3D TSV
24992074 35 Design and synthesis of 6-oxo-1,4,5,6-tetrahydropyrimidine-5-carboxylate derivatives as neuraminidase inhibitors.EBI Eur J Med Chem 83: 466-73 (2014) Wuhan University School of Pharmaceutical Sciences 2D 3D TSV
24992073 2 A new 9-alkyladenine-cyclic methylglyoxal diadduct activates wt- and F508del-cystic fibrosis transmembrane conductance regulator (CFTR) in vitro and in vivo.EBI Eur J Med Chem 83: 455-65 (2014) Universit£ Grenoble Alpes 2D 3D TSV
24992072 10 Benzimidazoles as new scaffold of sirtuin inhibitors: green synthesis, in vitro studies, molecular docking analysis and evaluation of their anti-cancer properties.EBI Eur J Med Chem 83: 448-54 (2014) Universiti Sains Malaysia 2D 3D TSV
24992070 51 High affinity ligands and potent antagonists for thea1D-adrenergic receptor. Novel 3,8-disubstituted [1]benzothieno[3,2-d]pyrimidine derivatives.EBI Eur J Med Chem 83: 419-32 (2014) Universit£ di Catania 2D 3D TSV
24988361 28 Discovery of glycine sulfonamides as dual inhibitors of sn-1-diacylglycerol lipasea anda/ß-hydrolase domain 6.EBI J Med Chem 57: 6610-22 (2014) Leiden University 2D 3D TSV
24986657 56 Synthesis of some novel hydrazone and 2-pyrazoline derivatives: monoamine oxidase inhibitory activities and docking studies.EBI Bioorg Med Chem Lett 24: 3278-84 (2014) Ministry of Health of Turkey 2D 3D TSV
24984937 22 Benzoquinones as inhibitors of botulinum neurotoxin serotype A.EBI Bioorg Med Chem 22: 3971-81 (2014) The Scripps Research Institute 2D 3D TSV
24984936 28 Potential C-terminal-domain inhibitors of heat shock protein 90 derived from a C-terminal peptide helix.EBI Bioorg Med Chem 22: 3989-93 (2014) Tufts University 2D 3D TSV
24984935 24 Synthesis and biological evaluation of bivalent cannabinoid receptor ligands based on hCB2R selective benzimidazoles reveal unexpected intrinsic properties.EBI Bioorg Med Chem 22: 3938-46 (2014) Julius-Maximilians-Universit£t W£rzburg 2D 3D TSV
24984230 22 Discovery and early clinical development of 2-{6-[2-(3,5-dichloro-4-pyridyl)acetyl]-2,3-dimethoxyphenoxy}-N-propylacetamide (LEO 29102), a soft-drug inhibitor of phosphodiesterase 4 for topical treatment of atopic dermatitis.EBI J Med Chem 57: 5893-903 (2014) Leo Pharma A/S 2D 3D TSV
24983663 8 Development of first lead structures for phosphoinositide 3-kinase-C2¿ inhibitors.EBI J Med Chem 58: 212-21 (2015) Eberhard Karls University Tuebingen 2D 3D TSV
24983538 16 Novel 1-[4-(Aminosulfonyl)phenyl]-1H-1,2,4-triazole derivatives with remarkable selective COX-2 inhibition: design, synthesis, molecular docking, anti-inflammatory and ulcerogenicity studies.EBI Eur J Med Chem 83: 398-408 (2014) Minia University 2D 3D TSV
24983484 11 Toward fluorescent probes for G-protein-coupled receptors (GPCRs).EBI J Med Chem 57: 8187-203 (2014) Shandong University 2D 3D TSV
24980703 296 Fragment-based hit discovery and structure-based optimization of aminotriazoloquinazolines as novel Hsp90 inhibitors.EBI Bioorg Med Chem 22: 4135-50 (2014) Nerviano Medical Sciences 2D 3D TSV
24980117 62 Synthesis ofa,ß-unsaturated carbonyl based compounds as acetylcholinesterase and butyrylcholinesterase inhibitors: characterization, molecular modeling, QSAR studies and effect against amyloidß-induced cytotoxicity.EBI Eur J Med Chem 83: 355-65 (2014) Universiti Kebangsaan Malaysia 2D 3D TSV
24980116 3 Design and green synthesis of 2-(diarylalkyl)aminobenzothiazole derivatives and their dual activities as angiotensin converting enzyme inhibitors and calcium channel blockers.EBI Eur J Med Chem 83: 344-54 (2014) CSIR-Indian Institute of Chemical Technology 2D 3D TSV
24980056 44 Mode of interaction of 1,4-dioxane agonists at the M2 and M3 muscarinic receptor orthosteric sites.EBI Bioorg Med Chem Lett 24: 3255-9 (2014) Universit£ di Camerino 2D 3D TSV
24980053 153 Discovery of acylurea isosteres of 2-acylaminothiadiazole in the azaxanthene series of glucocorticoid receptor agonists.EBI Bioorg Med Chem Lett 24: 3268-73 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24980052 37 Design, synthesis and pharmacological evaluation of novel polycyclic heteroarene ethers as PDE10A inhibitors: part II.EBI Bioorg Med Chem Lett 24: 3238-42 (2014) Glenmark Pharmaceuticals Ltd 2D 3D TSV
24977643 9 Broad-spectrum allosteric inhibition of herpesvirus proteases.BDB Biochemistry 53: 4648-60 (2014) University of California San Francisco 2D 3D TSV
24976941 2 Design of symmetrical and nonsymmetrical EBI Medchemcomm 2013: 693-696 (2013) Imperial College 2D 3D TSV
24974351 36 Novel, potent and selective 17ß-hydroxysteroid dehydrogenase type 2 inhibitors as potential therapeutics for osteoporosis with dual human and mouse activities.EBI Eur J Med Chem 83: 317-37 (2014) Saarland University 2D 3D TSV
24974349 20 Prediction of anti-tumor chemical probes of a traditional Chinese medicine formula by HPLC fingerprinting combined with molecular docking.EBI Eur J Med Chem 83: 294-306 (2014) The Second People's Hospital of Fujian Provinc 2D 3D TSV
24974342 33 The discovery of potent, orally bioavailable pyrimidine-5-carbonitrile-6-alkyl CXCR2 receptor antagonists.EBI Bioorg Med Chem Lett 24: 3285-90 (2014) Novartis Institutes for BioMedical Research 2D 3D TSV
24974340 90 Synthesis and biological evaluation of 3-phenethylazetidine derivatives as triple reuptake inhibitors.EBI Bioorg Med Chem Lett 24: 3234-7 (2014) Korea University 2D 3D TSV
24973818 70 Pyrrolo- and pyridomorphinans: non-selective opioid antagonists and delta opioid agonists/mu opioid partial agonists.EBI Bioorg Med Chem 22: 4067-72 (2014) University of Bath 2D 3D TSV
24973662 8 Targeting integrinsavß3 anda5ß1 with newß-lactam derivatives.EBI Eur J Med Chem 83: 284-93 (2014) University of Bologna 2D 3D TSV
24973661 10 9- and 11-substituted 4-azapaullones are potent and selective inhibitors of African trypanosoma.EBI Eur J Med Chem 83: 274-83 (2014) Technische Universit£t Braunschweig 2D 3D TSV
24973660 150 Synthesis, biological evaluation and structure-activity relationship of new GABA uptake inhibitors, derivatives of 4-aminobutanamides.EBI Eur J Med Chem 83: 256-73 (2014) Jagiellonian University Medical College 2D 3D TSV
24973029 57 Synthesis and evaluation of iminocoumaryl and coumaryl derivatized glycosides as galectin antagonists.EBI Bioorg Med Chem Lett 24: 3516-20 (2014) Lund University 2D 3D TSV
24973028 29 Synthesis and biological evaluation ofa-1-C-4'-arylbutyl-L-arabinoiminofuranoses, a new class ofa-glucosidase inhibitors.EBI Bioorg Med Chem Lett 24: 3298-301 (2014) Tohoku Pharmaceutical University 2D 3D TSV
24972725 6 Effect of p-aminophenols on tyrosinase activity.EBI Bioorg Med Chem 22: 3994-4000 (2014) Hoshi University 2D 3D TSV
24972724 16 Influence of azide incorporation on binding affinity by small papain inhibitors.EBI Bioorg Med Chem 22: 5593-603 (2014) Radboud University Nijmegen 2D 3D TSV
24972328 26 Identification of endocannabinoid system-modulating N-alkylamides from Heliopsis helianthoides var. scabra and Lepidium meyenii.EBI J Nat Prod 77: 1663-9 (2014) University of Szeged 2D 3D TSV
24972256 2 2-Hexylthio-ß,¿-CH2-ATP is an effective and selective NTPDase2 inhibitor.EBI J Med Chem 57: 5919-34 (2014) Bar-Ilan University 2D 3D TSV
24972108 256 Scaffold decoration at positions 5 and 8 of 1,2,4-triazolo[1,5-c]pyrimidines to explore the antagonist profiling on adenosine receptors: a preliminary structure-activity relationship study.EBI J Med Chem 57: 6210-25 (2014) Universit£ di Trieste 2D 3D TSV
24972008 36 1,3,4-Oxadiazole-containing histone deacetylase inhibitors: anticancer activities in cancer cells.EBI J Med Chem 57: 6259-65 (2014) Sapienza University of Rome 2D 3D TSV
24971742 4 KDM4B as a target for prostate cancer: structural analysis and selective inhibition by a novel inhibitor.EBI J Med Chem 57: 5975-85 (2014) National Tsing Hua University 2D 3D TSV
24969016 16 Extended N(6) substitution of rigid C2-arylethynyl nucleosides for exploring the role of extracellular loops in ligand recognition at the A3 adenosine receptor.EBI Bioorg Med Chem Lett 24: 3302-6 (2014) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
24969015 118 Discovery of VU0431316: a negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety.EBI Bioorg Med Chem Lett 24: 3307-14 (2014) Vanderbilt University Medical Center 2D 3D TSV
24967731 2 Diarylthiazole: an antimycobacterial scaffold potentially targeting PrrB-PrrA two-component system.EBI J Med Chem 57: 6572-82 (2014) AstraZeneca 2D 3D TSV
24967667 45 Identification, optimization, and pharmacology of acylurea GHS-R1a inverse agonists.EBI J Med Chem 57: 6128-40 (2014) AstraZeneca 2D 3D TSV
24962584 2 Chemical proteomics identifies heterogeneous nuclear ribonucleoprotein (hnRNP) A1 as the molecular target of quercetin in its anti-cancer effects in PC-3 cells.BDB J Biol Chem 289: 22078-89 (2014) National Taiwan University 2D 3D TSV
24961874 5 Discovery of novel inhibitors of vascular endothelial growth factor-A-Neuropilin-1 interaction by structure-based virtual screening.EBI Bioorg Med Chem 22: 4042-8 (2014) Universit£ Paris 13 2D 3D TSV
24961642 82 Discovery and SAR of a novel series of metabotropic glutamate receptor 5 positive allosteric modulators with high ligand efficiency.EBI Bioorg Med Chem Lett 24: 3641-6 (2014) Vanderbilt University Medical Center 2D 3D TSV
24960438 24 Ligand-based pharmacophore modeling and virtual screening for the discovery of novel 17ß-hydroxysteroid dehydrogenase 2 inhibitors.EBI J Med Chem 57: 5995-6007 (2014) University of Innsbruck 2D 3D TSV
24960305 11 Calcitonin gene-related peptide receptor antagonists: new therapeutic agents for migraine.EBI J Med Chem 57: 7838-58 (2014) Merck Research Laboratories 2D 3D TSV
24960234 6 Lower homologues of ahpatinin, aspartic protease inhibitors, from a marine Streptomyces sp.EBI J Nat Prod 77: 1749-52 (2014) The University of Tokyo 2D 3D TSV
24959987 2 Rexinoids isolated from Sophora tonkinensis with a gene expression profile distinct from the synthetic rexinoid bexarotene.EBI J Nat Prod 77: 1670-7 (2014) Aichi Gakuin University 2D 3D TSV
24959892 152 Optimization of pyrrolamide topoisomerase II inhibitors toward identification of an antibacterial clinical candidate (AZD5099).EBI J Med Chem 57: 6060-82 (2014) AstraZeneca 2D 3D TSV
24959717 30 Discovery of inter-domain stabilizers-a novel assay system for allosteric akt inhibitors.BDB ACS Chem Biol 10: 279-88 (2015) Technische Universit??t Dortmund 2D 3D TSV
24957878 1 i-Motif DNA: structure, stability and targeting with ligands.EBI Bioorg Med Chem 22: 4407-18 (2014) University of East Anglia 2D 3D TSV
24955889 16 Bioactive diterpenoids and flavonoids from the aerial parts of Scoparia dulcis.EBI J Nat Prod 77: 1594-600 (2014) Institute of Chinese Materia Medica 2D 3D TSV
24955776 166 Indazole- and indole-5-carboxamides: selective and reversible monoamine oxidase B inhibitors with subnanomolar potency.EBI J Med Chem 57: 6679-703 (2014) University of Bonn 2D 3D TSV
24954515 21 Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.EBI Bioorg Med Chem 22: 4099-108 (2014) Academy of Sciences of the Czech Republic 2D 3D TSV
24954438 13 Synthesis and evaluation of salicylanilide derivatives as potential epidermal growth factor receptor inhibitors.BDB Chem Biol Drug Des 85: 280-9 (2015) Anhui University of Chinese Medicine 2D 3D TSV
24953950 30 Benzene-1,3-dicarboxylic acid 2,5-dimethylpyrrole derivatives as multiple inhibitors of bacterial Mur ligases (MurC-MurF).EBI Bioorg Med Chem 22: 4124-34 (2014) Freie Universit£t Berlin 2D 3D TSV
24953948 33 Identification and development of 2-methylimidazo[1,2-a]pyridine-3-carboxamides as Mycobacterium tuberculosis pantothenate synthetase inhibitors.EBI Bioorg Med Chem 22: 4223-32 (2014) Birla Institute of Technology & Science-Pilani 2D 3D TSV
24953821 4 Synthesis and biological evaluation of 4-aza-2,3-dihydropyridophenanthrolines as tubulin polymerization inhibitors.EBI Bioorg Med Chem Lett 24: 3356-60 (2014) CSIR-Indian Institute of Chemical Technology 2D 3D TSV
24953819 49 Development of novel azabenzofuran TRPA1 antagonists as in vivo tools.EBI Bioorg Med Chem Lett 24: 3464-8 (2014) Amgen Inc 2D 3D TSV
24953602 12 Synthesis of bi-/tricyclic azasugars fused thiazinan-4-one and their HIV-RT inhibitory activity.EBI Bioorg Med Chem Lett 24: 3426-9 (2014) Hebei University 2D 3D TSV
24953600 35 Design, synthesis and docking study of 5-(substituted benzylidene)thiazolidine-2,4-dione derivatives as inhibitors of protein tyrosine phosphatase 1B.EBI Bioorg Med Chem Lett 24: 3337-40 (2014) Chonnam National University 2D 3D TSV
24953599 26 Targeting the PPM1D phenotype; 2,4-bisarylthiazoles cause highly selective apoptosis in PPM1D amplified cell-lines.EBI Bioorg Med Chem Lett 24: 3469-74 (2014) The Institute of Cancer Research 2D 3D TSV
24952377 10 A novel 2-oxoindolinylidene inhibitor of bacterial MurD ligase: Enzyme kinetics, protein-inhibitor binding by NMR and a molecular dynamics study.EBI Eur J Med Chem 83: 92-101 (2014) Slovenia National Institute of Chemistry 2D 3D TSV
24952376 2 4,5-Di-substituted benzyl-imidazol-2-substituted amines as the structure template for the design and synthesis of reversal agents against P-gp-mediated multidrug resistance breast cancer cells.EBI Eur J Med Chem 83: 74-83 (2014) Ocean University of China 2D 3D TSV
24951334 34 Design, synthesis and evaluation of highly selective pyridone-based class II MET inhibitors.EBI Bioorg Med Chem Lett 24: 3351-5 (2014) Central China Normal University 2D 3D TSV
24951332 3 Conformational analysis of an anti-androgenic, (E,E)-8-hydroxygermacrene B, using NOESY and dynamic NMR spectroscopy.EBI Bioorg Med Chem Lett 24: 3526-9 (2014) Naresuan University 2D 3D TSV
24951331 5 Syntheses, neural protective activities, and inhibition of glycogen synthase kinase-3ß of substituted quinolines.EBI Bioorg Med Chem Lett 24: 3392-7 (2014) Kansas State University 2D 3D TSV
24951330 25 Orally bioavailable factor Xa inhibitors containing alpha-substituted gem-dimethyl P4 moieties.EBI Bioorg Med Chem Lett 24: 3341-5 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24950374 9 2',6'-Dihalostyrylanilines, pyridines, and pyrimidines for the inhibition of the catalytic subunit of methionine S-adenosyltransferase-2.EBI J Med Chem 57: 6083-91 (2014) University of Kentucky 2D 3D TSV
24949913 13 Vascular L-type Ca²¿ channel blocking activity of sulfur-containing indole alkaloids from Glycosmis petelotii.EBI J Nat Prod 77: 1586-93 (2014) Vietnam Academy of Science and Technology 2D 3D TSV
24949551 22 Rational improvement of the affinity and selectivity of integrin binding of grafted lasso peptides.EBI J Med Chem 57: 5829-34 (2014) Philipps-Universit£t Marburg 2D 3D TSV
24948568 41 2-Alkyl/alkenyl substituted pyridine C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as highly potent TRPV1 antagonists.EBI Bioorg Med Chem Lett 24: 4039-43 (2014) Seoul National University 2D 3D TSV
24948567 3 Base-dependent formation of cis and trans olefins and their application in the synthesis of 5-oxo-ETE receptor antagonists.EBI Bioorg Med Chem Lett 24: 3385-8 (2014) Florida Institute of Technology 2D 3D TSV
24948566 11 Structural revision of kynapcin-12 by total synthesis, and inhibitory activities against prolyl oligopeptidase and cancer cells.EBI Bioorg Med Chem Lett 24: 3373-6 (2014) RIKEN 2D 3D TSV
24948565 20 Design and optimization of highly-selective fungal CYP51 inhibitors.EBI Bioorg Med Chem Lett 24: 3455-8 (2014) Viamet Pharmaceuticals Inc 2D 3D TSV
24948564 5 Structure based virtual screening of MDPI database: discovery of structurally diverse and novel DPP-IV inhibitors.EBI Bioorg Med Chem Lett 24: 3447-51 (2014) Jamia Hamdard 2D 3D TSV
24948563 44 Flow synthesis and biological activity of aryl sulfonamides as selective carbonic anhydrase IX and XII inhibitors.EBI Bioorg Med Chem Lett 24: 3422-5 (2014) University of Perugia 2D 3D TSV
24946214 24 Optimization of peptidomimetic boronates bearing a P3 bicyclic scaffold as proteasome inhibitors.EBI Eur J Med Chem 83: 1-14 (2014) Universit£ degli Studi di Messina 2D 3D TSV
24944750 24 Discovery of MK-4409, a Novel Oxazole FAAH Inhibitor for the Treatment of Inflammatory and Neuropathic Pain.EBI ACS Med Chem Lett 5: 717-21 (2014) Merck Research Laboratories 2D 3D TSV
24944749 21 Minimizing the Contribution of Enterohepatic Recirculation to Clearance in Rat for the NCINI Class of Inhibitors of HIV.EBI ACS Med Chem Lett 5: 711-6 (2014) Boehringer Ingelheim (Canada) 2D 3D TSV
24944747 18 Discovery of Novel Imidazo[4,5-b]pyridines as Potent and Selective Inhibitors of Phosphodiesterase 10A (PDE10A).EBI ACS Med Chem Lett 5: 700-5 (2014) Amgen Inc 2D 3D TSV
24944746 13 Novel and high affinity fluorescent ligands for the serotonin transporter based on (s)-citalopram.EBI ACS Med Chem Lett 5: 696-9 (2014) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
24944745 75 Diamine Derivatives as Novel Small-Molecule, Potent, and Subtype-Selective Somatostatin SST3 Receptor Agonists.EBI ACS Med Chem Lett 5: 690-5 (2014) Merck Research Laboratories 2D 3D TSV
24944744 3 Synthesis, Characterization, and in Vitro Evaluation of a New TSPO-Selective Bifunctional Chelate Ligand.EBI ACS Med Chem Lett 5: 685-9 (2014) Universit£ degli Studi di Bari"A. Moro" 2D 3D TSV
24944743 3 Discovery and Synthesis of C-Nucleosides as Potential New Anti-HCV Agents.EBI ACS Med Chem Lett 5: 679-84 (2014) Biota Scientific Management Pty Ltd 2D 3D TSV
24944742 63 Discovery of Anilinopyrimidines as Dual Inhibitors of c-Met and VEGFR-2: Synthesis, SAR, and Cellular Activity.EBI ACS Med Chem Lett 5: 673-8 (2014) Shanghai Institute of Materia Medica 2D 3D TSV
24944740 37 Structure-Guided Rescaffolding of Selective Antagonists of BCL-XL.EBI ACS Med Chem Lett 5: 662-7 (2014) Genentech 2D 3D TSV
24944737 20 Chiral Resolution and Serendipitous Fluorination Reaction for the Selective Dopamine D3 Receptor Antagonist BAK2-66.EBI ACS Med Chem Lett 5: 647-51 (2014) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
24944733 101 Potent and orally efficacious bisthiazole-based histone deacetylase inhibitors.EBI ACS Med Chem Lett 5: 628-33 (2014) Chinese National Center for Drug Screening 2D 3D TSV
24944732 37 Hybrid dopamine uptake blocker-serotonin releaser ligands: a new twist on transporter-focused therapeutics.EBI ACS Med Chem Lett 5: 623-7 (2014) RTI International 2D 3D TSV
24944730 20 Imidazo[2,1]thiazol-3-one Derivatives Useful as Diagnostic Agents for Alzheimer's Disease.EBI ACS Med Chem Lett 5: 619-20 (2014) Temple University School of Pharmacy 2D 3D TSV
24943831 8 Structure-based design of new KSP-Eg5 inhibitors assisted by a targeted multicomponent reaction.BDB Chembiochem 15: 1471-80 (2014) University of Santiago de Compostela 2D 3D TSV
24942641 7 Molecular basis of the selective binding of MDMA enantiomers to the alpha4beta2 nicotinic receptor subtype: synthesis, pharmacological evaluation and mechanistic studies.EBI Eur J Med Chem 81: 35-46 (2014) University of Barcelona 2D 3D TSV
24941437 11 Easily accessible polycyclic amines that inhibit the wild-type and amantadine-resistant mutants of the M2 channel of influenza A virus.EBI J Med Chem 57: 5738-47 (2014) Universitat de Barcelona 2D 3D TSV
24941128 41 Synthesis and anti-cholinesterase activity of new 7-hydroxycoumarin derivatives.EBI Eur J Med Chem 82: 536-44 (2014) Tehran University of Medical Sciences 2D 3D TSV
24939758 72 Discovery and structure-activity relationships of phenyl benzenesulfonylhydrazides as novel indoleamine 2,3-dioxygenase inhibitors.EBI Bioorg Med Chem Lett 24: 3403-6 (2014) National Health Research Institutes 2D 3D TSV
24939756 28 Strategies for the modulation of phase II metabolism in a series of PKCe inhibitors.EBI Bioorg Med Chem Lett 24: 3398-402 (2014) Vertex Pharmaceuticals Inc 2D 3D TSV
24938644 9 2-(Hetero(aryl)methylene)hydrazine-1-carbothioamides as potent urease inhibitors.BDB Chem Biol Drug Des 85: 225-30 (2015) Quaid-i-Azam University 2D 3D TSV
24938496 32 Design and synthesis of 5-[(2-chloro-6-fluorophenyl)acetylamino]-3-(4-fluorophenyl)-4-(4-pyrimidinyl)isoxazole (AKP-001), a novel inhibitor of p38 MAP kinase with reduced side effects based on the antedrug concept.EBI Bioorg Med Chem 22: 4162-76 (2014) ASKA Pharmaceutical Co., Ltd 2D 3D TSV
24938495 75 Pharmacological evaluation and docking studies ofa,ß-unsaturated carbonyl based synthetic compounds as inhibitors of secretory phospholipase A2, cyclooxygenases, lipoxygenase and proinflammatory cytokines.EBI Bioorg Med Chem 22: 4151-61 (2014) Universiti Kebangsaan Malaysia 2D 3D TSV
24937185 1 Development of second generation EP2 antagonists with high selectivity.EBI Eur J Med Chem 82: 521-35 (2014) Emory University 2D 3D TSV
24937104 30 GPR103 antagonists demonstrating anorexigenic activity in vivo: design and development of pyrrolo[2,3-c]pyridines that mimic the C-terminal Arg-Phe motif of QRFP26.EBI J Med Chem 57: 5935-48 (2014) AstraZeneca 2D 3D TSV
24936678 49 Radioiodinated benzyloxybenzene derivatives: a class of flexible ligands target to ?-amyloid plaques in Alzheimer's brains.EBI J Med Chem 57: 6030-42 (2014) Beijing Normal University 2D 3D TSV
24936240 39 Discovery of tetrahydroisoquinoline-based CXCR4 antagonists.EBI ACS Med Chem Lett 4: 1025-30 (2013) Emory University 2D 3D TSV
24936238 1 Binding Model for the Interaction of Anticancer Arylsulfonamides with the p300 Transcription Cofactor.EBI ACS Med Chem Lett 3: 620-625 (2012) TBA 2D 3D TSV
24936237 4 The ?-Amyloid Hypothesis in Alzheimer's Disease: Seeing Is Believing.EBI ACS Med Chem Lett 3: 265-7 (2012) University of Pennsylvania 2D 3D TSV
24936234 42 Synthesis and biological evaluation of a selective N- and p/q-type calcium channel agonist.EBI ACS Med Chem Lett 3: 985-990 (2012) TBA 2D 3D TSV
24936233 8 Discovery of Novel a4ß2 Neuronal Nicotinic Receptor Modulators through Structure-Based Virtual Screening.EBI ACS Med Chem Lett 2: 855-860 (2011) TBA 2D 3D TSV
24936232 16 Discovery of Potent Dual PPARa Agonists/CB1 Ligands.EBI ACS Med Chem Lett 2: 793-797 (2011) TBA 2D 3D TSV
24936059 26 The role of a novel auxiliary pocket in bacterial phenylalanyl-tRNA synthetase druggability.BDB J Biol Chem 289: 21651-62 (2014) AstraZeneca R&D Boston 2D 3D TSV
24934993 6 Coumarin hybrids as novel therapeutic agents.EBI Bioorg Med Chem 22: 3806-14 (2014) Punjabi University 2D 3D TSV
24934992 50 Novel pyrazoline derivatives as bi-inhibitor of COX-2 and B-Raf in treating cervical carcinoma.EBI Bioorg Med Chem 22: 4109-18 (2014) Second Affiliated Hospital of Southeast University 2D 3D TSV
24934571 14 Diphenylpyrroles: Novel p53 activators.EBI Eur J Med Chem 82: 472-9 (2014) Cairo University 2D 3D TSV
24933607 5 Tyrosinase inhibitory activity of a glucosylated hydroxystilbene in mouse melan-a melanocytes.EBI J Nat Prod 77: 1270-4 (2014) The Chinese University of Hong Kong 2D 3D TSV
24933507 15 Synthesis and evaluation of three structurally related¹8F-labeled orvinols of different intrinsic activities: 6-O-[¹8F]fluoroethyl-diprenorphine ([¹8F]FDPN), 6-O-[¹8F]fluoroethyl-buprenorphine ([¹8F]FBPN), and 6-O-[¹8F]fluoroethyl-phenethyl-orvinol ([¹8F]FPEO).EBI J Med Chem 57: 5464-9 (2014) University of Oslo 2D 3D TSV
24931384 66 Discovery of 4-aryl-7-hydroxyindoline-based P2Y1 antagonists as novel antiplatelet agents.EBI J Med Chem 57: 6150-64 (2014) Bristol-Myers Squibb Research 2D 3D TSV
24931275 6 Synthesis and evaluation of N6-substituted apioadenosines as potential adenosine A3 receptor modulators.EBI Bioorg Med Chem 22: 4257-68 (2014) Ghent University 2D 3D TSV
24930969 6 Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.BDB Chem Biol 21: 782-91 (2014) University of California San Diego 2D 3D TSV
24930835 18 Synthesis of new melatoninergic hexahydroindenopyridines.EBI Bioorg Med Chem Lett 24: 3534-6 (2014) Universidad de Valencia 2D 3D TSV
24930833 136 Synthesis and structure-activity relationships of 4-fluorophenyl-imidazole p38a MAPK, CK1d and JAK2 kinase inhibitors.EBI Bioorg Med Chem Lett 24: 3412-8 (2014) Syncom B.V. 2D 3D TSV
24929292 2 Design, synthesis and biological evaluation of hybrid bioisoster derivatives of N-acylhydrazone and furoxan groups with potential and selective anti-Trypanosoma cruzi activity.EBI Eur J Med Chem 82: 418-25 (2014) Universidade de S£o Paulo (USP) 2D 3D TSV
24929290 19 Inhibition of 17ß-HSD1: SAR of bicyclic substituted hydroxyphenylmethanones and discovery of new potent inhibitors with thioether linker.EBI Eur J Med Chem 82: 394-406 (2014) Saarland University 2D 3D TSV
24929289 10 Design, synthesis and pharmacological evaluation of novel substituted quinoline-2-carboxamide derivatives as human dihydroorotate dehydrogenase (hDHODH) inhibitors and anticancer agents.EBI Eur J Med Chem 82: 385-93 (2014) Nirma University 2D 3D TSV
24928400 33 Structure-activity relationships of oxysterol-derived pharmacological chaperones for Niemann-Pick type C1 protein.EBI Bioorg Med Chem Lett 24: 3480-5 (2014) The University of Tokyo 2D 3D TSV
24927250 18 New orally active dual enkephalinase inhibitors (DENKIs) for central and peripheral pain treatment.EBI J Med Chem 57: 5748-63 (2014) Pharmaleads , Paris BioPark, 11 Rue Watt, 75013 Paris, France. 2D 3D TSV
24926891 8 Polyketides from the cultured lichen mycobiont of a Vietnamese Pyrenula sp.EBI J Nat Prod 77: 1404-12 (2014) Kobe Pharmaceutical University 2D 3D TSV
24925519 14 Synthesis and evaluation of a new series of 3,5-bis((5-bromo-6-methyl-2-t-aminopyrimidin-4-yl)thio)-4H-1,2,4-triazol-4-amines and their cyclized products 'pyrimidinylthio pyrimidotriazolothiadiazines' as 15- lipo-oxygenase inhibitors.BDB Chem Biol Drug Des 85: 216-24 (2015) Ferdowsi University of Mashhad 2D 3D TSV
24924423 21 Inhibitory and mechanistic investigations of oxo-lipids with human lipoxygenase isozymes.EBI Bioorg Med Chem 22: 4293-7 (2014) University of California 2D 3D TSV
24922587 45 Discovery and structure-activity relationship of novel 2,3-dihydrobenzofuran-7-carboxamide and 2,3-dihydrobenzofuran-3(2H)-one-7-carboxamide derivatives as poly(ADP-ribose)polymerase-1 inhibitors.EBI J Med Chem 57: 5579-601 (2014) St. John's University 2D 3D TSV
24922543 24 Tricyclic pyrazoles. Part 6. Benzofuro[3,2-c]pyrazole: a versatile architecture for CB2 selective ligands.EBI Eur J Med Chem 82: 281-92 (2014) Universit£ di Sassari 2D 3D TSV
24922538 5 Design, synthesis and biological evaluation of type-II VEGFR-2 inhibitors based on quinoxaline scaffold.BDB Bioorg Chem 16-26 (2014) Ain Shams University 2D 3D TSV
24921156 6 Dose-dependent inhibition of BACE-1 by the monoterpenoid 2,3,4,4-tetramethyl-5-methylenecyclopent-2-enone in cellular and mouse models of Alzheimer's disease.EBI J Nat Prod 77: 1275-9 (2014) University of Coimbra 2D 3D TSV
24920381 77 SAR studies on curcumin's pro-inflammatory targets: discovery of prenylated pyrazolocurcuminoids as potent and selective novel inhibitors of 5-lipoxygenase.EBI J Med Chem 57: 5638-48 (2014) University Jena 2D 3D TSV
24918870 74 Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.EBI J Med Chem 57: 5714-27 (2014) Genentech Inc 2D 3D TSV
24918716 22 Dual protonophore-chitinase inhibitors dramatically affect O. volvulus molting.EBI J Med Chem 57: 5792-9 (2014) The Scripps Research Institute 2D 3D TSV
24918545 81 Physicochemically and pharmacokinetically stable nonapeptide KISS1 receptor agonists with highly potent testosterone-suppressive activity.EBI J Med Chem 57: 6105-15 (2014) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
24917667 36 Digoxin derivatives with enhanced selectivity for the a2 isoform of Na,K-ATPase: effects on intraocular pressure in rabbits.BDB J Biol Chem 289: 21153-62 (2014) Weizmann Institute of Science 2D 3D TSV
24916029 42 Synthesis and structure-activity relationships of new carbonyl guanidine derivatives as novel dual 5-HT2B and 5-HT7 receptor antagonists. Part 2.EBI Bioorg Med Chem 22: 4323-37 (2014) Astellas Pharma Inc 2D 3D TSV
24916028 21 Design, synthesis and biological evaluation of (E)-3-(3,4-dihydroxyphenyl)acrylylpiperazine derivatives as a new class of tubulin polymerization inhibitors.EBI Bioorg Med Chem 22: 4285-92 (2014) Nanjing University 2D 3D TSV
24915291 73 Discovery of a series of 2,5-diaminopyrimidine covalent irreversible inhibitors of Bruton's tyrosine kinase with in vivo antitumor activity.EBI J Med Chem 57: 5112-28 (2014) Peking University 2D 3D TSV
24915003 34 Probing of primed and unprimed sites of calpains: Design, synthesis and evaluation of epoxysuccinyl-peptide derivatives as selective inhibitors.EBI Eur J Med Chem 82: 274-80 (2014) E£tv£s Lor£nd University (ELTE) 2D 3D TSV
24914738 43 Aminoazabenzimidazoles, a novel class of orally active antimalarial agents.EBI J Med Chem 57: 5702-13 (2014) AstraZeneca 2D 3D TSV
24914612 36 Tetrahydronaphthyridine and dihydronaphthyridinone ethers as positive allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5).EBI J Med Chem 57: 5620-37 (2014) Vanderbilt University Medical Center 2D 3D TSV
24914455 38 Maximizing diversity from a kinase screen: identification of novel and selective pan-Trk inhibitors for chronic pain.EBI J Med Chem 57: 5800-16 (2014) Merck Research Laboratories 2D 3D TSV
24914408 6 Development of CBAP-BPyne, a probe for ?-secretase and presenilinase.EBI Medchemcomm 5: 338-341 (2014) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
24913985 73 SAR studies of differently functionalized chalcones based hydrazones and their cyclized derivatives as inhibitors of mammalian cathepsin B and cathepsin H.EBI Bioorg Med Chem 22: 4233-45 (2014) Kurukshetra University 2D 3D TSV
24913984 20 Pyridine analogues of spirocyclics1 receptor ligands.EBI Bioorg Med Chem 22: 4277-84 (2014) Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster 2D 3D TSV
24913714 53 Discovery of a novel series of potent MK2 non-ATP competitive inhibitors using 1,2-substituted azoles as cis-amide isosteres.EBI Bioorg Med Chem Lett 24: 3609-13 (2014) Merck Research Laboratories 2D 3D TSV
24913411 13 Elements and modulation of functional dynamics.EBI J Med Chem 57: 7819-37 (2014) Janssen Research and Development LLC 2D 3D TSV
24911880 10 Polyhydroxyanthraquinones as quorum sensing inhibitors from the guttates of Penicillium restrictum and their analysis by desorption electrospray ionization mass spectrometry.EBI J Nat Prod 77: 1351-8 (2014) University of North Carolina at Greensboro 2D 3D TSV
24911527 30 Multistage screening reveals chameleon ligands of the human farnesyl pyrophosphate synthase: implications to drug discovery for neurodegenerative diseases.EBI J Med Chem 57: 5764-76 (2014) McGill University 2D 3D TSV
24909680 18 Synthesis and SAR studies of benzyl ether derivatives as potent orally active S1P1 agonists.EBI Bioorg Med Chem 22: 4246-56 (2014) Daiichi Sankyo Co., Ltd 2D 3D TSV
24909678 24 Synthesis, biological evaluation and molecular modeling of 1,3,4-thiadiazol-2-amide derivatives as novel antitubulin agents.EBI Bioorg Med Chem 22: 4312-22 (2014) Nanjing University 2D 3D TSV
24909677 19 Lead identification of benzimidazolone and azabenzimidazolone arylsulfonamides as CC-chemokine receptor 4 (CCR4) antagonists.EBI Bioorg Med Chem 22: 4298-311 (2014) GlaxoSmithKline 2D 3D TSV
24909083 5 Rational design of the first difluorostatone-based PfSUB1 inhibitors.EBI Bioorg Med Chem Lett 24: 3582-6 (2014) University of Siena 2D 3D TSV
24909082 9 Synthesis and characterization of novel 1,2-oxazine-based small molecules that targets acetylcholinesterase.EBI Bioorg Med Chem Lett 24: 3618-21 (2014) N.D. Zelinsky Institute of Organic Chemistry 2D 3D TSV
24908653 34 Guanidine-baseda2-adrenoceptor ligands: Towards selective antagonist activity.EBI Eur J Med Chem 82: 242-54 (2014) Trinity College 2D 3D TSV
24908608 37 Naphthyridinone (NTD) integrase inhibitors 4. Investigating N1 acetamide substituent effects with C3 amide groups.EBI Bioorg Med Chem Lett 24: 3104-7 (2014) GlaxoSmithKline 2D 3D TSV
24906513 21 4-Quinolone-3-carboxylic acids as cell-permeable inhibitors of protein tyrosine phosphatase 1B.EBI Bioorg Med Chem 22: 3670-83 (2014) Chinese Academy of Sciences 2D 3D TSV
24905252 17 Efficient modulation of ?-aminobutyric acid type A receptors by piperine derivatives.EBI J Med Chem 57: 5602-19 (2014) University of Vienna 2D 3D TSV
24904968 7 Design ofa7 nicotinic acetylcholine receptor ligands in quinuclidine, tropane and quinazoline series. Chemistry, molecular modeling, radiochemistry, in vitro and in rats evaluations of a [(18)F] quinuclidine derivative.EBI Eur J Med Chem 82: 214-24 (2014) Universit£ d'Orl£ans 2D 3D TSV
24904963 18 New insights into the biological properties of Crocus sativus L.: chemical modifications, human monoamine oxidases inhibition and molecular modeling studies.EBI Eur J Med Chem 82: 164-71 (2014) Sapienza University of Rome 2D 3D TSV
24904961 27 Synthesis and in vivo SAR study of indolin-2-one-based multi-targeted inhibitors as potential anticancer agents.EBI Eur J Med Chem 82: 139-51 (2014) Qilu Pharmaceutical Co., Ltd 2D 3D TSV
24903887 4 Structural basis for low-affinity binding of non-R2 carboxylate-substituted tricyclic quinoline analogs to CK2a: comparative molecular dynamics simulation studies.BDB Chem Biol Drug Des 85: 189-200 (2015) Beijing University of Technology 2D 3D TSV
24903735 3 Discovery of novel 17-phenylethylaminegeldanamycin derivatives as potent Hsp90 inhibitors.BDB Chem Biol Drug Des 85: 181-8 (2015) Shandong University 2D 3D TSV
24901800 12 Endiandric acid analogues from Beilschmiedia ferruginea as dual inhibitors of Bcl-xL/Bak and Mcl-1/Bid interactions.EBI J Nat Prod 77: 1430-7 (2014) Institut de Chimie des Substances Naturelles (ICSN) 2D 3D TSV
24901667 50 4-amino-1-hydroxy-2-oxo-1,8-naphthyridine-containing compounds having high potency against raltegravir-resistant integrase mutants of HIV-1.EBI J Med Chem 57: 5190-202 (2014) National Institutes of Health 2D 3D TSV
24901260 12 Recent developments in novel antidepressants targetinga4ß2-nicotinic acetylcholine receptors.EBI J Med Chem 57: 8204-23 (2014) University of Illinois at Chicago 2D 3D TSV
24900889 2 Oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad spectrum antibacterial agents.EBI ACS Med Chem Lett 5: 609-14 (2014) Merck Research Laboratories 2D 3D TSV
24900886 66 Discovery of a New Series of Naphthamides as Potent VEGFR-2 Kinase Inhibitors.EBI ACS Med Chem Lett 5: 592-7 (2014) Chinese Academy of Sciences 2D 3D TSV
24900884 14 Late-Stage C-H Coupling Enables Rapid Identification of HDAC Inhibitors: Synthesis and Evaluation of NCH-31 Analogues.EBI ACS Med Chem Lett 5: 582-6 (2014) Nagoya University 2D 3D TSV
24900883 8 Chlorpheniramine Analogues Reverse Chloroquine Resistance in Plasmodium falciparum by Inhibiting PfCRT.EBI ACS Med Chem Lett 5: 576-81 (2014) Australian National University 2D 3D TSV
24900882 30 Pivotal Role of an Aliphatic Side Chain in the Development of an HDM2 Inhibitor.EBI ACS Med Chem Lett 5: 572-5 (2014) Merck Research Laboratories 2D 3D TSV
24900880 12 Himbacine-derived thrombin receptor antagonists: c7-spirocyclic analogues of vorapaxar.EBI ACS Med Chem Lett 5: 561-5 (2014) Merck Research Laboratories 2D 3D TSV
24900878 40 Design, Synthesis, and Optimization of Balanced Dual NK1/NK3 Receptor Antagonists.EBI ACS Med Chem Lett 5: 550-5 (2014) Universit£ de Montr£al 2D 3D TSV
24900877 107 Development of novel benzomorpholine class of diacylglycerol acyltransferase I inhibitors.EBI ACS Med Chem Lett 5: 544-9 (2014) Merck Research Laboratories 2D 3D TSV
24900876 56 Discovery of the Fibrinolysis Inhibitor AZD6564, Acting via Interference of a Protein-Protein Interaction.EBI ACS Med Chem Lett 5: 538-43 (2014) AstraZeneca 2D 3D TSV
24900874 52 New Hits as Antagonists of GPR103 Identified by HTS.EBI ACS Med Chem Lett 5: 527-32 (2014) AstraZeneca 2D 3D TSV
24900872 19 Optimization of GPR40 Agonists for Type 2 Diabetes.EBI ACS Med Chem Lett 5: 517-21 (2014) Amgen Inc 2D 3D TSV
24900871 8 2-(2-Arylphenyl)benzoxazole As a Novel Anti-Inflammatory Scaffold: Synthesis and Biological Evaluation.EBI ACS Med Chem Lett 5: 512-6 (2014) National Institute of Pharmaceutical Education and Research (NIPER) 2D 3D TSV
24900870 4 Novel carboline derivatives as potent antifungal lead compounds: design, synthesis, and biological evaluation.EBI ACS Med Chem Lett 5: 506-11 (2014) Second Military Medical University 2D 3D TSV
24900867 2 Biarylmethoxy Nicotinamides As Novel and Specific Inhibitors of Mycobacterium tuberculosis.EBI ACS Med Chem Lett 5: 491-5 (2014) Alkem Laboratories Ltd 2D 3D TSV
24900865 7 Discovery of antitubulin agents with antiangiogenic activity as single entities with multitarget chemotherapy potential.EBI ACS Med Chem Lett 5: 480-4 (2014) Duquesne University 2D 3D TSV
24900864 21 Discovery of PF-5190457, a Potent, Selective, and Orally Bioavailable Ghrelin Receptor Inverse Agonist Clinical Candidate.EBI ACS Med Chem Lett 5: 474-9 (2014) Pfizer Inc 2D 3D TSV
24900862 14 Phenylalanine-Based Inactivator of AKT Kinase: Design, Synthesis, and Biological Evaluation.EBI ACS Med Chem Lett 5: 462-7 (2014) Virginia Commonwealth University 2D 3D TSV
24900861 8 Fused Thiazin-3-ones as KCa3.1 Inhibitors.EBI ACS Med Chem Lett 5: 460-1 (2014) Temple University School of Pharmacy 2D 3D TSV
24900859 4 Treatment of Immunological or Inflammatory Disorders with ITK Kinase Inhibitors.EBI ACS Med Chem Lett 5: 456-7 (2014) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900853 42 3-Amido-3-aryl-piperidines: A Novel Class of Potent, Selective, and Orally Active GlyT1 Inhibitors.EBI ACS Med Chem Lett 5: 428-33 (2014) F. Hoffmann-La Roche Inc 2D 3D TSV
24900852 22 Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1.EBI ACS Med Chem Lett 5: 422-7 (2014) Boehringer Ingelheim (Canada) Ltd 2D 3D TSV
24900851 6 Discovery of AZD3199, An Inhaled Ultralong Acting?2 Receptor Agonist with Rapid Onset of Action.EBI ACS Med Chem Lett 5: 416-21 (2014) AstraZeneca 2D 3D TSV
24900849 17 Oxathiazolones Selectively Inhibit the Human Immunoproteasome over the Constitutive Proteasome.EBI ACS Med Chem Lett 5: 405-10 (2014) Weill Cornell Medical College 2D 3D TSV
24900848 11 C-ring cannabinoid lactones: a novel cannabinergic chemotype.EBI ACS Med Chem Lett 5: 400-4 (2014) Northeastern University 2D 3D TSV
24900845 30 Improving the Pharmacokinetics of GPR40/FFA1 Full Agonists.EBI ACS Med Chem Lett 5: 384-9 (2014) Amgen Inc 2D 3D TSV
24900844 50 Discovery and Optimization of Tetramethylpiperidinyl Benzamides as Inhibitors of EZH2.EBI ACS Med Chem Lett 5: 378-83 (2014) Constellation Pharmaceuticals 2D 3D TSV
24900843 60 Plasmepsin inhibitory activity and structure-guided optimization of a potent hydroxyethylamine-based antimalarial hit.EBI ACS Med Chem Lett 5: 373-7 (2014) Latvian Institute of Organic Synthesis 2D 3D TSV
24900842 71 Novel delta opioid receptor agonists with oxazatricyclodecane structure.EBI ACS Med Chem Lett 5: 368-72 (2014) Kitasato University 2D 3D TSV
24900841 33 Structure-Activity Relationship of Semicarbazone EGA Furnishes Photoaffinity Inhibitors of Anthrax Toxin Cellular Entry.EBI ACS Med Chem Lett 5: 363-7 (2014) University of California 2D 3D TSV
24900840 35 Enhancing a CH-? Interaction to Increase the Affinity for 5-HT1A Receptors.EBI ACS Med Chem Lett 5: 358-62 (2014) University of Li£ge 2D 3D TSV
24900839 24 Interkingdom pharmacology of Angiotensin-I converting enzyme inhibitor phosphonates produced by actinomycetes.EBI ACS Med Chem Lett 5: 346-51 (2014) Vanderbilt University Department of Chemistry 2D 3D TSV
24900838 30 Delayed and Prolonged Histone Hyperacetylation with a Selective HDAC1/HDAC2 Inhibitor.EBI ACS Med Chem Lett 5: 340-5 (2014) Merck Research Laboratories 2D 3D TSV
24900835 6 Development of [(3)H]2-Carboxy-4,6-dichloro-1H-indole-3-propionic Acid ([(3)H]PSB-12150): A Useful Tool for Studying GPR17.EBI ACS Med Chem Lett 5: 326-30 (2014) University of Bonn 2D 3D TSV
24900832 29 Optimizing the Physicochemical Properties of Raf/MEK Inhibitors by Nitrogen Scanning.EBI ACS Med Chem Lett 5: 309-14 (2014) Chugai Pharmaceutical Co. Ltd 2D 3D TSV
24900831 62 Novel 2,4-Diarylaminopyrimidine Analogues (DAAPalogues) Showing Potent c-Met/ALK Multikinase Inhibitory Activities.EBI ACS Med Chem Lett 5: 304-8 (2014) State Key Laboratory of Drug Research 2D 3D TSV
24900830 46 Discovery and Biological Evaluation of Novel Dual EGFR/c-Met Inhibitors.EBI ACS Med Chem Lett 5: 298-303 (2014) Vichem Chemie Research Ltd. 2D 3D TSV
24900829 11 Analogues of the Natural Product Sinefungin as Inhibitors of EHMT1 and EHMT2.EBI ACS Med Chem Lett 5: 293-7 (2014) University of Copenhagen 2D 3D TSV
24900827 8 Inhibitors of Factor XIa and Plasma Kallikrein May Treat Thromboembolic Disorders and Many Diabetes Complications.EBI ACS Med Chem Lett 5: 286-7 (2014) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900826 22 Selective 5-HT Receptor Modulators May Deliver Focused Targeting with Fewer Adverse Effects.EBI ACS Med Chem Lett 5: 284-5 (2014) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900825 8 Triazolo[4,5-d]pyrimidine Derivatives as Inhibitors of GCN2.EBI ACS Med Chem Lett 5: 282-3 (2014) Dart Neuroscience LLC 2D 3D TSV
24900824 6 Novel cycloalkenepyrazoles as inhibitors of bub1 kinase.EBI ACS Med Chem Lett 5: 280-1 (2014) Dart Neuroscience LLC 2D 3D TSV
24900823 6 Phenyl carboxamide analogues as spleen tyrosine kinase (syk) inhibitors.EBI ACS Med Chem Lett 5: 278-9 (2014) Dart Neuroscience LLC 2D 3D TSV
24900822 4 Thiazolocarboxamide Analogues as NAMPT Inhibitors.EBI ACS Med Chem Lett 5: (2014) Dart Neuroscience LLC 2D 3D TSV
24900821 5 Quinoline Derivatives as 5-HT6 Receptor PET Ligands.EBI ACS Med Chem Lett 5: 275-6 (2014) Dart Neuroscience LLC 2D 3D TSV
24900818 100 Novel Quinoline-Based P2-P4 Macrocyclic Derivatives As Pan-Genotypic HCV NS3/4a Protease Inhibitors.EBI ACS Med Chem Lett 5: 264-9 (2014) Merck Research Laboratories 2D 3D TSV
24900814 2 Potent Hepatitis C Virus NS5A Inhibitors Containing a Benzidine Core.EBI ACS Med Chem Lett 5: 255-8 (2014) Seoul National University 2D 3D TSV
24900813 6 Novel Peptidomimetic Hepatitis C Virus NS3/4A Protease Inhibitors Spanning the P2-P1' Region.EBI ACS Med Chem Lett 5: 249-54 (2014) Uppsala University 2D 3D TSV
24900801 18 Discovery and development of potent and selective inhibitors of histone methyltransferase g9a.EBI ACS Med Chem Lett 5: 205-9 (2014) AbbVie Inc 2D 3D TSV
24900800 46 Small Macrocycles As Highly Active Integrin?2?1 Antagonists.EBI ACS Med Chem Lett 5: 193-8 (2014) Sanofi R & D 2D 3D TSV
24900799 3 Inhibitors of factor d may provide a treatment for age-related macular degeneration.EBI ACS Med Chem Lett 5: 106-7 (2014) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900798 1 Selective EP4 Antagonist May Be Useful in Treating Arthritis and Arthritic Pain.EBI ACS Med Chem Lett 5: 104-5 (2014) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900796 42 Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.EBI ACS Med Chem Lett 5: 188-92 (2014) Bristol-Myers Squibb R & D 2D 3D TSV
24900795 22 Himbacine-derived thrombin receptor antagonists: c7-aminomethyl and c9a-hydroxy analogues of vorapaxar.EBI ACS Med Chem Lett 5: 183-7 (2014) Merck Research Laboratories 2D 3D TSV
24900793 2 Functionally Optimized Neuritogenic Farinosone C Analogs: SAR-Study and Investigations on Their Mode of Action.EBI ACS Med Chem Lett 5: 172-7 (2014) University of Basel 2D 3D TSV
24900792 9 FGFR1 Kinase Inhibitors: Close Regioisomers Adopt Divergent Binding Modes and Display Distinct Biophysical Signatures.EBI ACS Med Chem Lett 5: 166-71 (2014) AstraZeneca 2D 3D TSV
24900790 8 Original Design of Fluorescent Ligands by Fusing BODIPY and Melatonin Neurohormone.EBI ACS Med Chem Lett 5: 158-61 (2014) Universit£ d'Orl£ans 2D 3D TSV
24900789 6 Neutral ?-Lactams Inactivate High Molecular Mass Penicillin-Binding Proteins of Class B1, Including PBP2a of MRSA.EBI ACS Med Chem Lett 5: 154-7 (2014) Wesleyan University 2D 3D TSV
24900786 9 Crystal Structures of PI3K? Complexed with PI103 and Its Derivatives: New Directions for Inhibitors Design.EBI ACS Med Chem Lett 5: 138-42 (2014) Shanghai Jiao Tong University 2D 3D TSV
24900785 64 Isomannide-based peptidomimetics as inhibitors for human tissue kallikreins 5 and 7.EBI ACS Med Chem Lett 5: 128-32 (2014) Universidade Federal do ABC 2D 3D TSV
24900784 20 Discovery of Potent and Orally Active p53-MDM2 Inhibitors RO5353 and RO2468 for Potential Clinical Development.EBI ACS Med Chem Lett 5: 124-7 (2014) Roche Pharma Research 2D 3D TSV
24900783 2 Qualification of LSP1-2111 as a Brain Penetrant Group III Metabotropic Glutamate Receptor Orthosteric Agonist.EBI ACS Med Chem Lett 5: 119-23 (2014) Lundbeck Research USA, Inc. 2D 3D TSV
24900779 3 (S)-N-Methyldihydroquinazolinones are the Active Enantiomers of Retro-2 Derived Compounds against Toxins.EBI ACS Med Chem Lett 5: 94-7 (2014) CEA 2D 3D TSV
24900778 1 Evaluation of aminohydantoins as a novel class of antimalarial agents.EBI ACS Med Chem Lett 5: 89-93 (2014) Saint Louis University 2D 3D TSV
24900776 75 Discovery of a Novel Class of Imidazo[1,2-a]Pyridines with Potent PDGFR Activity and Oral Bioavailability.EBI ACS Med Chem Lett 5: 78-83 (2014) Array BioPharma 2D 3D TSV
24900774 40 Discovery of Tertiary Amine and Indole Derivatives as Potent ROR?t Inverse Agonists.EBI ACS Med Chem Lett 5: 65-8 (2014) GlaxoSmithKline 2D 3D TSV
24900773 14 Novel Indole-N-glucoside, TA-1887 As a Sodium Glucose Cotransporter 2 Inhibitor for Treatment of Type 2 Diabetes.EBI ACS Med Chem Lett 5: 51-5 (2014) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
24900770 5 Evaluation and Structural Basis for the Inhibition of Tankyrases by PARP Inhibitors.EBI ACS Med Chem Lett 5: 18-22 (2014) University of Oulu 2D 3D TSV
24900769 88 Identification of ML251, a Potent Inhibitor of T. brucei and T. cruzi Phosphofructokinase.EBI ACS Med Chem Lett 5: 12-7 (2014) National Center for Advancing Translational Sciences 2D 3D TSV
24900768 10 Tankyrase inhibitors: potential treatment of hyperproliferative diseases.EBI ACS Med Chem Lett 5: 10-1 (2014) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900767 3 Inhibitors of Tropomyosin-Receptor Kinases (Trk's): Potential Pain Therapy and More.EBI ACS Med Chem Lett 5: 8-9 (2014) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900763 107 Exploring multitarget interactions to reduce opiate withdrawal syndrome and psychiatric comorbidity.EBI ACS Med Chem Lett 4: 875-9 (2013) University of Camerino 2D 3D TSV
24900761 17 [(11)C]MK-4232: The First Positron Emission Tomography Tracer for the Calcitonin Gene-Related Peptide Receptor.EBI ACS Med Chem Lett 4: 863-8 (2013) Merck Research Labortories 2D 3D TSV
24900758 44 Discovery, Design, and Optimization of Isoxazole Azepine BET Inhibitors.EBI ACS Med Chem Lett 4: 835-40 (2013) Constellation Pharmaceuticals 2D 3D TSV
24900757 32 Aminopyrazole-Phenylalanine Based GPR142 Agonists: Discovery of Tool Compound and in Vivo Efficacy Studies.EBI ACS Med Chem Lett 4: 829-34 (2013) Amgen Inc 2D 3D TSV
24900755 3 Gamma secretase modulators.EBI ACS Med Chem Lett 4: (2013) Montclair State University 2D 3D TSV
24900754 2 Substituted Benzylspiroindolin-2-one Analogues as Positive Allosteric Modulators of the Muscarinic Acetylcholine Receptor M1.EBI ACS Med Chem Lett 4: (2013) Montclair State University 2D 3D TSV
24900753 25 Trisubstituted imidazoles as positive modulators of metabotropic glutamate receptor subtype 5.EBI ACS Med Chem Lett 4: 819-21 (2013) Dart Neuroscience LLC 2D 3D TSV
24900751 6 Inhibitors of PI3K? as Potential Treatment for Cancer.EBI ACS Med Chem Lett 4: 815-6 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900750 14 Aminopyridyl/Pyrazinyl Spiro[indoline-3,4'-piperidine]-2-ones As Highly Selective and Efficacious c-Met/ALK Inhibitors.EBI ACS Med Chem Lett 4: 806-10 (2013) Southern Medical University 2D 3D TSV
24900749 6 Structure and Property Based Design of Pyrazolo[1,5-a]pyrimidine Inhibitors of CK2 Kinase with Activity in Vivo.EBI ACS Med Chem Lett 4: 800-5 (2013) AstraZeneca 2D 3D TSV
24900748 16 Structural and biological exploration of phe(3)-phe(4)-modified endomorphin-2 peptidomimetics.EBI ACS Med Chem Lett 4: 795-9 (2013) Universit£ degli Studi di Milano 2D 3D TSV
24900747 25 Potent and Orally Bioavailable GPR142 Agonists as Novel Insulin Secretagogues for the Treatment of Type 2 Diabetes.EBI ACS Med Chem Lett 4: 790-4 (2013) Daiichi Sankyo Co., Ltd 2D 3D TSV
24900745 63 Potent DGAT1 Inhibitors in the Benzimidazole Class with a Pyridyl-oxy-cyclohexanecarboxylic Acid Moiety.EBI ACS Med Chem Lett 4: 773-8 (2013) Merck Research Laboratories 2D 3D TSV
24900744 39 Integrated Synthesis and Testing of Substituted Xanthine Based DPP4 Inhibitors: Application to Drug Discovery.EBI ACS Med Chem Lett 4: 768-72 (2013) Sanofi-Aventis 2D 3D TSV
24900743 86 Tropolones as lead-like natural products: the development of potent and selective histone deacetylase inhibitors.EBI ACS Med Chem Lett 4: 757-61 (2013) University of Connecticut 2D 3D TSV
24900741 4 Discovery of AZD8931, an Equipotent, Reversible Inhibitor of Signaling by EGFR, HER2, and HER3 Receptors.EBI ACS Med Chem Lett 4: 742-6 (2013) AstraZeneca 2D 3D TSV
24900739 16 Contribution of Cage-Shaped Structure of Physalins to Their Mode of Action in Inhibition of NF-kB ActivationEBI ACS Med Chem Lett 4: 730-5 (2013) RIKEN 2D 3D TSV
24900736 1 Flow Synthesis and Biological Studies of an Analgesic Adamantane Derivative That Inhibits P2X7-Evoked Glutamate Release.EBI ACS Med Chem Lett 4: 704-9 (2013) University of Cambridge 2D 3D TSV
24900734 9 Histone Deacetylase 4 (HDAC4) Inhibitors: A Promising Treatment for Huntington's Disease.EBI ACS Med Chem Lett 4: 692-3 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900732 2 Inhibitors of ATR Kinase for Treatment of Cancer.EBI ACS Med Chem Lett 4: 688-9 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900728 7 Synthesis of 2?-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo.EBI ACS Med Chem Lett 4: 671-4 (2013) Teikyo University 2D 3D TSV
24900721 24 Discovery of novel insulin-like growth factor-1 receptor inhibitors with unique time-dependent binding kinetics.EBI ACS Med Chem Lett 4: 627-31 (2013) OSI Pharmaceuticals LLC 2D 3D TSV
24900720 2 Pyrazolo[3,4-d]pyrimidine Prodrugs: Strategic Optimization of the Aqueous Solubility of Dual Src/Abl Inhibitors.EBI ACS Med Chem Lett 4: 622-6 (2013) Universit£ degli Studi di Siena 2D 3D TSV
24900719 12 C-Glucopyranosyl-1,2,4-triazoles As New Potent Inhibitors of Glycogen Phosphorylase.EBI ACS Med Chem Lett 4: 612-5 (2013) University of Debrecen 2D 3D TSV
24900718 52 4-Substituted 2-Hydroxyisoquinoline-1,3(2H,4H)-diones as a Novel Class of HIV-1 Integrase Inhibitors.EBI ACS Med Chem Lett 4: 606-11 (2013) Universit£ Lille Nord de France 2D 3D TSV
24900717 14 Structure-Activity Relationships and in Vivo Evaluation of Quinoxaline Derivatives for PET Imaging of ?-Amyloid Plaques.EBI ACS Med Chem Lett 4: 596-600 (2013) Kyoto University 2D 3D TSV
24900715 3 Identification of a series of compounds with potent antiviral activity for the treatment of enterovirus infections.EBI ACS Med Chem Lett 4: 585-9 (2013) BioFocus 2D 3D TSV
24900714 8 ?-Secretase Inhibitors for the Treatment of Alzheimer's Disease and Down's Syndrome.EBI ACS Med Chem Lett 4: 578-9 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900713 3 ERK2 Inhibitors May Provide Treatment for Cancer.EBI ACS Med Chem Lett 4: 576-7 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900712 3 FPRL-1 Receptor Modulators May Provide Treatment for Inflammation.EBI ACS Med Chem Lett 4: 574-5 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900710 25 Discovery of a New Class of Potent MMP Inhibitors by Structure-Based Optimization of the Arylsulfonamide Scaffold.EBI ACS Med Chem Lett 4: 565-9 (2013) University of Florence 2D 3D TSV
24900709 3 Discovery of a potent, dual serotonin and norepinephrine reuptake inhibitor.EBI ACS Med Chem Lett 4: 560-4 (2013) Eli Lilly and Company 2D 3D TSV
24900707 23 Discovery and Optimization of Potent GPR40 Full Agonists Containing Tricyclic Spirocycles.EBI ACS Med Chem Lett 4: 551-5 (2013) Amgen Inc 2D 3D TSV
24900705 49 Identification of Selective Nanomolar Inhibitors of the Human Neuraminidase, NEU4.EBI ACS Med Chem Lett 4: 532-7 (2013) University of Alberta 2D 3D TSV
24900704 24 Development of Unsymmetrical Dyads As Potent Noncarbohydrate-Based Inhibitors against Human ?-N-Acetyl-d-hexosaminidase.EBI ACS Med Chem Lett 4: 527-31 (2013) East China University of Science and Technology 2D 3D TSV
24900702 8 Metabolically Stable tert-Butyl Replacement.EBI ACS Med Chem Lett 4: 514-6 (2013) Novartis Institutes for Biomedical Research 2D 3D TSV
24900701 36 Discovery of MK-3168: A PET Tracer for Imaging Brain Fatty Acid Amide Hydrolase.EBI ACS Med Chem Lett 4: 509-13 (2013) Merck Research Laboratories 2D 3D TSV
24900700 21 Identification of New Nonsteroidal ROR? Ligands; Related Structure-Activity Relationships and Docking Studies.EBI ACS Med Chem Lett 4: 504-8 (2013) Genfit SA 2D 3D TSV
24900699 54 Tricyclic Pyrimidines As Inhibitors of DYRK1A/DYRK1B As Potential Treatment for Down's Syndrome or Alzheimer's Disease.EBI ACS Med Chem Lett 4: 502-3 (2013) Dart Neuroscience LLC 2D 3D TSV
24900698 4 Negative allosteric modulators of metabotropic glutamate receptor subtype.EBI ACS Med Chem Lett 4: 500-1 (2013) Dart Neuroscience LLC 2D 3D TSV
24900697 6 Imidazopyrazine Derivatives As Inhibitors of mTOR.EBI ACS Med Chem Lett 4: 498-9 (2013) Dart Neuroscience LLC 2D 3D TSV
24900696 72 Selective Inhibitors of Fibroblast Activation Protein (FAP) with a (4-Quinolinoyl)-glycyl-2-cyanopyrrolidine Scaffold.EBI ACS Med Chem Lett 4: 491-6 (2013) University of Antwerp (UA) 2D 3D TSV
24900695 19 Development of Novel Alkene Oxindole Derivatives As Orally Efficacious AMP-Activated Protein Kinase Activators.EBI ACS Med Chem Lett 4: 475-80 (2013) Chinese Academy of Sciences 2D 3D TSV
24900694 14 Discovery of RG7112: A Small-Molecule MDM2 Inhibitor in Clinical Development.EBI ACS Med Chem Lett 4: 466-9 (2013) Roche Research Center 2D 3D TSV
24900691 4 Novel thiazolobenzodiazepines as inhibitors of histamine h3 receptor.EBI ACS Med Chem Lett 4: (2013) Dart Neuroscience LLC 2D 3D TSV
24900690 24 Dihydrooxazines As Inhibitors of BACE-1 or BACE-2.EBI ACS Med Chem Lett 4: 433-4 (2013) Dart Neuroscience LLC 2D 3D TSV
24900689 16 PAK1: A Therapeutic Target for Cancer Treatment.EBI ACS Med Chem Lett 4: 431-2 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900687 3 Synthesis and Pharmacological Characterization of Two Novel, Brain Penetrating P2X7 Antagonists.EBI ACS Med Chem Lett 4: 419-22 (2013) Janssen Research and Development LLC 2D 3D TSV
24900686 1 Identification of RO4597014, a Glucokinase Activator Studied in the Clinic for the Treatment of Type 2 Diabetes.EBI ACS Med Chem Lett 4: 414-8 (2013) Hoffmann-La Roche Inc 2D 3D TSV
24900685 8 Anthraquinone Derivatives as Potent Inhibitors of c-Met Kinase and the Extracellular Signaling Pathway.EBI ACS Med Chem Lett 4: 408-13 (2013) Soochow University 2D 3D TSV
24900684 12 Design, Synthesis, and Pharmacological Evaluation of Fluorescent and Biotinylated Antagonists of?1 GABAC Receptors.EBI ACS Med Chem Lett 4: 402-7 (2013) The University of Sydney 2D 3D TSV
24900683 26 Benzanilide-Biphenyl Replacement: A Bioisosteric Approach to Quinoline Carboxamide-Type ABCG2 Modulators.EBI ACS Med Chem Lett 4: 393-6 (2013) University of Regensburg 2D 3D TSV
24900681 13 Cyclopropyl-Fused 1,3-Thiazepines as BACE1 and BACE2 Inhibitors.EBI ACS Med Chem Lett 4: 379-80 (2013) Temple University 2D 3D TSV
24900680 18 Selective Cyp11B1 Inhibitors for the Treatment of Cortisol Dependent Diseases.EBI ACS Med Chem Lett 4: 377-8 (2013) Temple University 2D 3D TSV
24900679 16 Aldosterone synthase inhibitors.EBI ACS Med Chem Lett 4: 375-6 (2013) Temple University 2D 3D TSV
24900677 8 Targeting CCR2 Receptor To Treat Inflammation Diseases and Disorders.EBI ACS Med Chem Lett 4: 371-2 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900673 1 Discovery of Dabrafenib: A Selective Inhibitor of Raf Kinases with Antitumor Activity against B-Raf-Driven Tumors.EBI ACS Med Chem Lett 4: 358-62 (2013) GlaxoSmithKline 2D 3D TSV
24900672 41 Synthesis, Optimization, and Evaluation of Novel Small Molecules as Antagonists of WDR5-MLL Interaction.EBI ACS Med Chem Lett 4: 353-7 (2013) EntreMed Inc. 2D 3D TSV
24900670 47 Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator.EBI ACS Med Chem Lett 4: 333-7 (2013) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
24900667 3 Inhibition of mTOR Kinase and Cancer Treatment.EBI ACS Med Chem Lett 4: 321-2 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900666 6 Positive allosteric modulators of nicotinic acetylcholine receptor.EBI ACS Med Chem Lett 4: 319-20 (2013) Dart Neuroscience LLC 2D 3D TSV
24900664 14 High-Throughput Selectivity Assays for Small-Molecule Inhibitors of ?-Catenin/T-Cell Factor Protein-Protein Interactions.EBI ACS Med Chem Lett 4: 306-11 (2013) University of Utah 2D 3D TSV
24900662 16 Discovery of Indenopyrazoles as a New Class of Hypoxia Inducible Factor (HIF)-1 Inhibitors.EBI ACS Med Chem Lett 4: 297-301 (2013) Gakushuin University 2D 3D TSV
24900661 17 Optimization of a Novel Series of TRPV4 Antagonists with In Vivo Activity in a Model of Pulmonary Edema.EBI ACS Med Chem Lett 4: 293-6 (2013) GlaxoSmithKline 2D 3D TSV
24900658 10 Discovery of a highly potent, orally active mitosis/angiogenesis inhibitor r1530 for the treatment of solid tumors.EBI ACS Med Chem Lett 4: 259-63 (2013) Hoffmann-La Roche Inc 2D 3D TSV
24900657 1 Interrogation of the Active Sites of Protein Arginine Deiminases (PAD1, -2, and -4) Using Designer Probes.EBI ACS Med Chem Lett 4: 249-53 (2013) University Health Network 2D 3D TSV
24900656 9 Discovery of novel N-substituted oxindoles as selective m1 and m4 muscarinic acetylcholine receptors partial agonists.EBI ACS Med Chem Lett 4: 244-8 (2013) Dainippon Sumitomo Pharma Co., Ltd 2D 3D TSV
24900655 165 [3a,4]-Dihydropyrazolo[1,5a]pyrimidines: Novel, Potent, and Selective Phosphatidylinositol-3-kinase ? Inhibitors.EBI ACS Med Chem Lett 4: 230-4 (2013) GlaxoSmithKline 2D 3D TSV
24900653 14 Azaindole-Based Inhibitors of Cdc7 Kinase: Impact of the Pre-DFG Residue, Val 195.EBI ACS Med Chem Lett 4: 211-5 (2013) Abbott Laboratories 2D 3D TSV
24900652 30 The role of the acidity of N-heteroaryl sulfonamides as inhibitors of bcl-2 family protein-protein interactions.EBI ACS Med Chem Lett 4: 186-90 (2013) Novartis Institutes for BioMedical Research Inc 2D 3D TSV
24900651 50 Irreversible inhibitors of cysteine proteases.EBI ACS Med Chem Lett 4: 163-4 (2013) Dart Neuroscience LLC 2D 3D TSV
24900650 3 PDE10 Inhibitors as Potential Treatment for Schizophrenia.EBI ACS Med Chem Lett 4: 161-2 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900649 3 TRPV4 Antagonists: Potential Treatment for Congestive Heart Failure, Bladder Dysfunctions, and Pain.EBI ACS Med Chem Lett 4: 159-60 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900648 2 Aldosterone synthase inhibitors: targeting chronic kidney disease and diabetic nephropathy.EBI ACS Med Chem Lett 4: 157-8 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900647 8 Bodilisant-a novel fluorescent, highly affine histamine h3 receptor ligand.EBI ACS Med Chem Lett 4: 269-73 (2013) Goethe University 2D 3D TSV
24900646 2 Synthesis and antimycobacterial activity of 2,1'-dihydropyridomycins.EBI ACS Med Chem Lett 4: 264-8 (2013) Swiss Federal Institute of Technology (ETH) Zurich 2D 3D TSV
24900643 4 Structure-Based Approach for the Discovery of Pyrrolo[3,2-d]pyrimidine-Based EGFR T790M/L858R Mutant Inhibitors.EBI ACS Med Chem Lett 4: 201-5 (2013) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
24900640 3 Synthesis and antimalarial activity of 3,3-spiroanellated 5,6-disubstituted 1,2,4-trioxanes.EBI ACS Med Chem Lett 4: 165-9 (2013) Division of Medicinal & Process Chemistry, Division of Parasitology, Division of Pharmacokinetics and Metabolism, and Sophisticated Analytical Instrument Facility, Central Drug Research Institute 2D 3D TSV
24900635 104 Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.EBI ACS Med Chem Lett 4: 1238-43 (2013) GlaxoSmithKline 2D 3D TSV
24900634 36 Design and Synthesis of Peptide YY Analogues with C-terminal Backbone Amide-to-Ester Modifications.EBI ACS Med Chem Lett 4: 1228-32 (2013) University of Copenhagen 2D 3D TSV
24900633 11 Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.EBI ACS Med Chem Lett 4: 1218-23 (2013) Amgen Inc 2D 3D TSV
24900632 13 Fragment-based discovery of 6-azaindazoles as inhibitors of bacterial DNA ligase.EBI ACS Med Chem Lett 4: 1208-12 (2013) Astex Pharmaceuticals Inc 2D 3D TSV
24900631 50 Discovery and in Vivo Evaluation of Potent Dual CYP11B2 (Aldosterone Synthase) and CYP11B1 Inhibitors.EBI ACS Med Chem Lett 4: 1203-7 (2013) Novartis Institutes for BioMedical Research 2D 3D TSV
24900630 16 Synthesis and in vitro and in vivo pharmacological evaluation of new 4-aminoquinoline-based compounds.EBI ACS Med Chem Lett 4: 1198-202 (2013) University of Cape Town 2D 3D TSV
24900629 102 Structure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.EBI ACS Med Chem Lett 4: 1193-7 (2013) Novartis Institutes for BioMedical Research 2D 3D TSV
24900627 2 Design, Synthesis, and Antiviral Evaluation of Chimeric Inhibitors of HIV Reverse Transcriptase.EBI ACS Med Chem Lett 4: 1183-8 (2013) Yale University 2D 3D TSV
24900626 15 Multifunctional cholinesterase and amyloid Beta fibrillization modulators. Synthesis and biological investigation.EBI ACS Med Chem Lett 4: 1178-82 (2013) University of Siena 2D 3D TSV
24900625 52 Design and Discovery of 2-Arylquinazolin-4-ones as Potent and Selective Inhibitors of Tankyrases.EBI ACS Med Chem Lett 4: 1173-7 (2013) University of Bath 2D 3D TSV
24900624 18 Exploring the chemical space of multitarget ligands using aligned self-organizing maps.EBI ACS Med Chem Lett 4: 1169-72 (2013) Goethe University 2D 3D TSV
24900623 16 Stapled Vasoactive Intestinal Peptide (VIP) Derivatives Improve VPAC2 Agonism and Glucose-Dependent Insulin Secretion.EBI ACS Med Chem Lett 4: 1163-8 (2013) AstraZeneca 2D 3D TSV
24900622 6 Probing the Binding Site of Bile Acids in TGR5.EBI ACS Med Chem Lett 4: 1158-62 (2013) Universit£ degli Studi di Perugia 2D 3D TSV
24900621 48 Discovery of Pyridyl Bis(oxy)dibenzimidamide Derivatives as Selective Matriptase Inhibitors.EBI ACS Med Chem Lett 4: 1152-7 (2013) Aurigene Discovery Technologies Limited 2D 3D TSV
24900619 42 Diphenylpropane Derivatives as Agonist of PPAR Nuclear Receptors.EBI ACS Med Chem Lett 4: 1135-6 (2013) Dart Neuroscience LLC 2D 3D TSV
24900617 2 Inhibition of CK2: An Attractive Therapeutic Target for Cancer Treatment.EBI ACS Med Chem Lett 4: 1131-2 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900612 5 Potent Targeting of the STAT3 Protein in Brain Cancer Stem Cells: A Promising Route for Treating Glioblastoma.EBI ACS Med Chem Lett 4: 1102-7 (2013) University of Toronto at Mississauga 2D 3D TSV
24900610 5 Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.EBI ACS Med Chem Lett 4: 1091-6 (2013) New York Structural Biology Center 2D 3D TSV
24900608 9 Chemical Probe Identification Platform for Orphan GPCRs Using Focused Compound Screening: GPR39 as a Case Example.EBI ACS Med Chem Lett 4: 1079-84 (2013) Pfizer Inc 2D 3D TSV
24900607 15 Potent oxazolidinone antibacterials with heteroaromatic C-ring substructure.EBI ACS Med Chem Lett 4: 1074-8 (2013) Research Foundation Itsuu Laboratory 2D 3D TSV
24900606 12 Improved Cav2.2 Channel Inhibitors through a gem-Dimethylsulfone Bioisostere Replacement of a Labile Sulfonamide.EBI ACS Med Chem Lett 4: 1064-8 (2013) Merck Research Laboratories 2D 3D TSV
24900605 43 Fluorine Scanning by Nonselective Fluorination: Enhancing Raf/MEK Inhibition while Keeping Physicochemical Properties.EBI ACS Med Chem Lett 4: 1059-63 (2013) Chugai Pharmaceutical Co. Ltd 2D 3D TSV
24900604 40 Discovery of Octahydroindenes as PAR1 Antagonists.EBI ACS Med Chem Lett 4: 1054-8 (2013) Korea Research Institute of Technology 2D 3D TSV
24900603 3 Identification and optimization of an aminoalcohol-carbazole series with antimalarial properties.EBI ACS Med Chem Lett 4: 1037-41 (2013) Merck Serono 2D 3D TSV
24900602 32 Discovery of 3,4-Dihydropyrimidin-2(1H)-ones As a Novel Class of Potent and Selective A2B Adenosine Receptor Antagonists.EBI ACS Med Chem Lett 4: 1031-6 (2013) University of Santiago de Compostela 2D 3D TSV
24900601 18 N-[4-(1H-Pyrazolo[3,4-B]pyrazin-6yl)-phenyl]-sulonamides and Their Use As Pharmaceuticals.EBI ACS Med Chem Lett 4: 1022-4 (2013) Temple University School of Pharmacy 2D 3D TSV
24900598 8 Endothelial lipase inhibitors for the treatment of atherosclerosis and cardiovascular disorders.EBI ACS Med Chem Lett 4: 1016-7 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900597 3 Sphingosine-1-phosphate (S1P) Receptor Modulators Provide Potential for Diverse Treatments.EBI ACS Med Chem Lett 4: 1014-5 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900594 6 Design, Synthesis, and Biological Evaluation of Novel Conformationally Constrained Inhibitors Targeting EGFR.EBI ACS Med Chem Lett 4: 974-8 (2013) Zhejiang University 2D 3D TSV
24900593 45 Discovery of GSK2656157: An Optimized PERK Inhibitor Selected for Preclinical Development.EBI ACS Med Chem Lett 4: 964-8 (2013) GlaxoSmithKline 2D 3D TSV
24900590 55 Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy.EBI ACS Med Chem Lett 4: 948-52 (2013) GlaxoSmithKline 2D 3D TSV
24900589 13 Discovery of Clinical Candidate GSK1842799 As a Selective S1P1 Receptor Agonist (Prodrug) for Multiple Sclerosis.EBI ACS Med Chem Lett 4: 942-7 (2013) Praecis Pharmaceuticals Inc 2D 3D TSV
24900588 25 Design and Synthesis of 4-(4-Benzoylaminophenoxy)phenol Derivatives As Androgen Receptor Antagonists.EBI ACS Med Chem Lett 4: 937-41 (2013) Tokyo Medical and Dental University 2D 3D TSV
24900587 9 Discovery of DF-461, a Potent Squalene Synthase Inhibitor.EBI ACS Med Chem Lett 4: 932-6 (2013) Daiichi Sankyo Co., Ltd 2D 3D TSV
24900582 8 Anabaseine analogues as modulators of nicotinic acetylcholine receptor.EBI ACS Med Chem Lett 4: 902-3 (2013) Dart Neuroscience LLC 2D 3D TSV
24900580 8 Fighting Obesity and Metabolic Disorders with MGAT-2 Inhibitors.EBI ACS Med Chem Lett 4: 898-9 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900576 11 Solvent Selection for Insoluble Ligands, a Challenge for Biological Assay Development: A TNF-?/SPD304 Study.EBI ACS Med Chem Lett 4: 137-41 (2013) The Centre for Research and Technology of Thessaly (CE.RE.TE.TH.) , 3rd km Karditsa-Mitropolis, Karditsa 43100, Greece. 2D 3D TSV
24900575 31 Biological evaluation of new largazole analogues: alteration of macrocyclic scaffold with click chemistry.EBI ACS Med Chem Lett 4: 132-6 (2013) Chinese Academy of Sciences 2D 3D TSV
24900572 54 Discovery of HSD-621 as a Potential Agent for the Treatment of Type 2 Diabetes.EBI ACS Med Chem Lett 4: 118-23 (2013) Pfizer Inc 2D 3D TSV
24900571 44 Imidazopyridine-Based Fatty Acid Synthase Inhibitors That Show Anti-HCV Activity and in Vivo Target Modulation.EBI ACS Med Chem Lett 4: 113-7 (2013) 3-V Biosciences, Inc. 2D 3D TSV
24900569 25 Discovery and Biological Profiling of Potent and Selective mTOR Inhibitor GDC-0349.EBI ACS Med Chem Lett 4: 103-7 (2013) Genentech 2D 3D TSV
24900568 27 Discovery of the Highly Potent PI3K/mTOR Dual Inhibitor PF-04979064 through Structure-Based Drug Design.EBI ACS Med Chem Lett 4: 91-7 (2013) Pfizer Inc 2D 3D TSV
24900567 21 Discovery of a Highly Selective, Brain-Penetrant Aminopyrazole LRRK2 Inhibitor.EBI ACS Med Chem Lett 4: 85-90 (2013) Genentech 2D 3D TSV
24900564 46 Identification of Tetrahydropyrido[4,3-d]pyrimidine Amides as a New Class of Orally Bioavailable TGR5 Agonists.EBI ACS Med Chem Lett 4: 63-8 (2013) Pfizer Inc 2D 3D TSV
24900562 126 Azepines and piperidines with dual norepinephrine dopamine uptake inhibition and antidepressant activity.EBI ACS Med Chem Lett 4: 46-51 (2013) AstraZeneca 2D 3D TSV
24900561 25 Magnolia Extract, Magnolol, and Metabolites: Activation of Cannabinoid CB2 Receptors and Blockade of the Related GPR55.EBI ACS Med Chem Lett 4: 41-5 (2013) University of Bonn 2D 3D TSV
24900560 16 Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions.EBI ACS Med Chem Lett 4: 37-40 (2013) Pfizer Inc 2D 3D TSV
24900557 6 Spleen Tyrosine Kinase Inhibitors (SYK) as Potential Treatment for Autoimmune and Inflammatory Disorders: Patent Highlight.EBI ACS Med Chem Lett 4: 18-9 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900556 8 Treatment of Obesity and Related Disorders with Acetyl-CoA Carboxylase Inhibitors.EBI ACS Med Chem Lett 4: 16-7 (2013) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900551 14 Modulators of the GPR119 Receptor for the Treatment of Metabolic Syndrome.EBI ACS Med Chem Lett 4: 8-9 (2013) Dart Neuroscience LLC 2D 3D TSV
24900549 6 Metabolites of the pyrimidine amine preladenant as adenosine a2a receptor antagonists.EBI ACS Med Chem Lett 4: 5-6 (2013) Dart Neuroscience LLC 2D 3D TSV
24900547 23 Fluorescent Human EP3 Receptor Antagonists.EBI ACS Med Chem Lett 3: 774-779 (2012) TBA 2D 3D TSV
24900546 29 Symmetric kv1.5 blockers discovered by focused screening.EBI ACS Med Chem Lett 3: 769-773 (2012) TBA 2D 3D TSV
24900545 21 Identification of an Adamantyl Azaquinolone JNK Selective Inhibitor.EBI ACS Med Chem Lett 3: 764-768 (2012) TBA 2D 3D TSV
24900544 8 Discovery of DS-8108b, a Novel Orally Bioavailable Renin Inhibitor.EBI ACS Med Chem Lett 3: 754-758 (2012) TBA 2D 3D TSV
24900543 27 Macrocyclic peptoid-Peptide hybrids as inhibitors of class I histone deacetylases.EBI ACS Med Chem Lett 3: 749-753 (2012) TBA 2D 3D TSV
24900540 47 Irreversible 4-Aminopiperidine Transglutaminase 2 Inhibitors for Huntington's Disease.EBI ACS Med Chem Lett 3: 731-735 (2012) TBA 2D 3D TSV
24900539 27 Discovery of AM-1638: A Potent and Orally Bioavailable GPR40/FFA1 Full Agonist.EBI ACS Med Chem Lett 3: 726-730 (2012) TBA 2D 3D TSV
24900538 27 Discovery of Disubstituted Imidazo[4,5-b]pyridines and Purines as Potent TrkA Inhibitors.EBI ACS Med Chem Lett 3: 705-709 (2012) TBA 2D 3D TSV
24900537 9 Prostaglandin e2 synthase-1 inhibitors as potential treatment for osteoarthritis: patent highlight.EBI ACS Med Chem Lett 3: 703-704 (2012) TBA 2D 3D TSV
24900536 3 Inhibitors of LRRK2 as Treatment for Parkinson's Disease: Patent Highlight.EBI ACS Med Chem Lett 3: 701-702 (2012) TBA 2D 3D TSV
24900534 6 Cyclopropyl-spiro-piperidines Useful as Sodium Channel Blockers: Patent Highlight.EBI ACS Med Chem Lett 3: 697-698 (2012) TBA 2D 3D TSV
24900533 22 Substituted pyridines as sodium channel blockers: patent highlight.EBI ACS Med Chem Lett 3: 695-696 (2012) TBA 2D 3D TSV
24900532 1 Bromodomains: are readers right for epigenetic therapy?EBI ACS Med Chem Lett 3: 691-694 (2012) TBA 2D 3D TSV
24900529 6 Discovery of Phenylaminopyridine Derivatives as Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitors.EBI ACS Med Chem Lett 3: 678-682 (2012) TBA 2D 3D TSV
24900526 3 Target-Activated Prodrugs (TAPs) for the Autoregulated Inhibition of MMP12.EBI ACS Med Chem Lett 3: 653-657 (2012) TBA 2D 3D TSV
24900524 39 Identification of Hydroxybenzoic Acids as Selective Lactate Receptor (GPR81) Agonists with Antilipolytic Effects.EBI ACS Med Chem Lett 3: 637-639 (2012) TBA 2D 3D TSV
24900520 14 Substituted benzimidazole and imidazopyridine compounds useful as cyp17 modulators: patent highlight.EBI ACS Med Chem Lett 3: 614-615 (2012) TBA 2D 3D TSV
24900519 3 Fatty Acid synthase inhibitors as possible treatment for cancer: patent highlight.EBI ACS Med Chem Lett 3: 612-613 (2012) TBA 2D 3D TSV
24900517 3 Potassium channel modulators as possible treatment for pain: patent highlight.EBI ACS Med Chem Lett 3: 608-9 (2012) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
24900514 14 Lipophilic Isosteres of a ?-? Stacking Interaction: New Inhibitors of the Bcl-2-Bak Protein-Protein Interaction.EBI ACS Med Chem Lett 3: 579-83 (2012) Novartis Institutes for BioMedical Research Inc. 2D 3D TSV
24900510 16 Diaminopyridine-based potent and selective mps1 kinase inhibitors binding to an unusual flipped-Peptide conformation.EBI ACS Med Chem Lett 3: 560-564 (2012) TBA 2D 3D TSV
24900508 40 Synthesis and Agonistic Activity at the GPR35 of 5,6-Dihydroxyindole-2-carboxylic Acid Analogues.EBI ACS Med Chem Lett 3: 550-554 (2012) TBA 2D 3D TSV
24900507 17 Identification of new snake venom metalloproteinase inhibitors using compound screening and rational Peptide design.EBI ACS Med Chem Lett 3: 540-543 (2012) TBA 2D 3D TSV
24900506 39 Low Doses of Allyphenyline and Cyclomethyline, Effective against Morphine Dependence, Elicit an Antidepressant-like Effect.EBI ACS Med Chem Lett 3: 535-539 (2012) TBA 2D 3D TSV
24900505 11 Design and synthesis of potent, selective inhibitors of matriptase.EBI ACS Med Chem Lett 3: 530-534 (2012) TBA 2D 3D TSV
24900504 107 Rational Design, Synthesis, and SAR of a Novel Thiazolopyrimidinone Series of Selective PI3K-beta Inhibitors.EBI ACS Med Chem Lett 3: 524-529 (2012) TBA 2D 3D TSV
24900501 9 Biotin analogues with antibacterial activity are potent inhibitors of biotin protein ligase.EBI ACS Med Chem Lett 3: 509-514 (2012) TBA 2D 3D TSV
24900500 21 Discovery of HDAC Inhibitors That Lack an Active Site Zn(2+)-Binding Functional Group.EBI ACS Med Chem Lett 3: 505-508 (2012) TBA 2D 3D TSV
24900499 67 The Discovery of MK-4256, a Potent SSTR3 Antagonist as a Potential Treatment of Type 2 Diabetes.EBI ACS Med Chem Lett 3: 484-489 (2012) TBA 2D 3D TSV
24900494 72 Synthesis and biochemical evaluation of thiochromanone thiosemicarbazone analogues as inhibitors of cathepsin L.EBI ACS Med Chem Lett 3: 450-453 (2012) TBA 2D 3D TSV
24900493 12 Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.EBI ACS Med Chem Lett 3: 445-449 (2012) TBA 2D 3D TSV
24900488 1 RXR Partial Agonist CBt-PMN Exerts Therapeutic Effects on Type 2 Diabetes without the Side Effects of RXR Full Agonists.EBI ACS Med Chem Lett 3: 427-432 (2012) TBA 2D 3D TSV
24900487 2 ß-Lactones Inhibit N-acylethanolamine Acid Amidase by S-Acylation of the Catalytic N-Terminal Cysteine.EBI ACS Med Chem Lett 3: 422-426 (2012) TBA 2D 3D TSV
24900486 18 Novel Carboxamide-Based Allosteric MEK Inhibitors: Discovery and Optimization Efforts toward XL518 (GDC-0973).EBI ACS Med Chem Lett 3: 416-421 (2012) TBA 2D 3D TSV
24900485 13 Intestinally Targeted Diacylglycerol Acyltransferase 1 (DGAT1) Inhibitors Robustly Suppress Postprandial Triglycerides.EBI ACS Med Chem Lett 3: 411-415 (2012) TBA 2D 3D TSV
24900484 64 Design of a Potent CB1 Receptor Antagonist Series: Potential Scaffold for Peripherally-Targeted Agents.EBI ACS Med Chem Lett 3: 397-401 (2012) TBA 2D 3D TSV
24900483 7 Fungal bis-Naphthopyrones as Inhibitors of Botulinum Neurotoxin Serotype A.EBI ACS Med Chem Lett 3: 387-391 (2012) TBA 2D 3D TSV
24900482 32 Targeted kinase selectivity from kinase profiling data.EBI ACS Med Chem Lett 3: 383-386 (2012) TBA 2D 3D TSV
24900481 17 A Divergent SAR Study Allows Optimization of a Potent 5-HT2c Inhibitor to a Promising Antimalarial Scaffold.EBI ACS Med Chem Lett 3: 373-377 (2012) TBA 2D 3D TSV
24900480 75 Discovery of Selective Small Molecule ROMK Inhibitors as Potential New Mechanism Diuretics.EBI ACS Med Chem Lett 3: 367-372 (2012) TBA 2D 3D TSV
24900478 4 The Rhodadyns, a New Class of Small Molecule Inhibitors of Dynamin GTPase Activity.EBI ACS Med Chem Lett 3: 352-356 (2012) TBA 2D 3D TSV
24900475 7 A Back-to-Front Fragment-Based Drug Design Search Strategy Targeting the DFG-Out Pocket of Protein Tyrosine Kinases.EBI ACS Med Chem Lett 3: 342-346 (2012) TBA 2D 3D TSV
24900474 5 Discovery of BMS-846372, a Potent and Orally Active Human CGRP Receptor Antagonist for the Treatment of Migraine.EBI ACS Med Chem Lett 3: 337-341 (2012) TBA 2D 3D TSV
24900473 21 Discovery of MK-5172, a Macrocyclic Hepatitis C Virus NS3/4a Protease Inhibitor.EBI ACS Med Chem Lett 3: 332-6 (2012) Merck Research Laboratories 2D 3D TSV
24900466 55 Stimulation of Glucose-Dependent Insulin Secretion by a Potent, Selective sst3 Antagonist.EBI ACS Med Chem Lett 3: 289-293 (2012) TBA 2D 3D TSV
24900464 66 Potent and Selective Inhibitors of CK2 Kinase Identified through Structure-Guided Hybridization.EBI ACS Med Chem Lett 3: 278-283 (2012) TBA 2D 3D TSV
24900463 15 Avicholic Acid: A Lead Compound from Birds on the Route to Potent TGR5 Modulators.EBI ACS Med Chem Lett 3: 273-277 (2012) TBA 2D 3D TSV
24900461 49 Discovery of MK-7725, A Potent, Selective Bombesin Receptor Subtype-3 Agonist for the Treatment of Obesity.EBI ACS Med Chem Lett 3: 252-256 (2012) TBA 2D 3D TSV
24900459 53 NOpiates: Novel Dual Action Neuronal Nitric Oxide Synthase Inhibitors with µ-Opioid Agonist Activity.EBI ACS Med Chem Lett 3: 227-231 (2012) TBA 2D 3D TSV
24900458 12 Discovery of a Novel Class of Bicyclo[3.1.0]hexanylpiperazines as Noncompetitive Neuropeptide Y Y1 Antagonists.EBI ACS Med Chem Lett 3: 222-226 (2012) TBA 2D 3D TSV
24900457 30 Mitigating hERG Inhibition: Design of Orally Bioavailable CCR5 Antagonists as Potent Inhibitors of R5 HIV-1 Replication.EBI ACS Med Chem Lett 3: 216-221 (2012) TBA 2D 3D TSV
24900456 46 Discovery and Development of Potent LFA-1/ICAM-1 Antagonist SAR 1118 as an Ophthalmic Solution for Treating Dry Eye.EBI ACS Med Chem Lett 3: 203-206 (2012) TBA 2D 3D TSV
24900455 45 Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia.EBI ACS Med Chem Lett 3: 187-192 (2012) TBA 2D 3D TSV
24900454 43 The First Dual ChE/FAAH Inhibitors: New Perspectives for Alzheimer's Disease?EBI ACS Med Chem Lett 3: 182-186 (2012) TBA 2D 3D TSV
24900450 44 Discovery of a potent thiadiazole class of histamine h3 receptor antagonist for the treatment of diabetes.EBI ACS Med Chem Lett 3: 198-202 (2012) TBA 2D 3D TSV
24900449 10 BACE1 Inhibitor Peptides: Can an Infinitely Small k cat Value Turn the Substrate of an Enzyme into Its Inhibitor?EBI ACS Med Chem Lett 3: 193-197 (2012) TBA 2D 3D TSV
24900447 45 Discovery of Natural Phenols as G Protein-Coupled Receptor-35 (GPR35) Agonists.EBI ACS Med Chem Lett 3: 165-169 (2012) TBA 2D 3D TSV
24900446 6 Virtual Screening and X-ray Crystallography for Human Kallikrein 6 Inhibitors with an Amidinothiophene P1 Group.EBI ACS Med Chem Lett 3: 159-164 (2012) TBA 2D 3D TSV
24900445 10 Dual-target virtual screening by pharmacophore elucidation and molecular shape filtering.EBI ACS Med Chem Lett 3: 155-158 (2012) TBA 2D 3D TSV
24900443 158 Discovery of GNF-5837, a Selective TRK Inhibitor with Efficacy in Rodent Cancer Tumor Models.EBI ACS Med Chem Lett 3: 140-145 (2012) TBA 2D 3D TSV
24900442 51 Discovery of a Novel Series of CHK1 Kinase Inhibitors with a Distinctive Hinge Binding Mode.EBI ACS Med Chem Lett 3: 123-128 (2012) TBA 2D 3D TSV
24900440 11 Application of MM-GB/SA and WaterMap to SRC Kinase Inhibitor Potency Prediction.EBI ACS Med Chem Lett 3: 94-99 (2012) TBA 2D 3D TSV
24900439 34 Synthesis and biological evaluation of cyclic sulfamide derivatives as 11ß-hydroxysteroid dehydrogenase 1 inhibitors.EBI ACS Med Chem Lett 3: 88-93 (2012) TBA 2D 3D TSV
24900437 32 Discovery of CX-6258. A Potent, Selective, and Orally Efficacious pan-Pim Kinases Inhibitor.EBI ACS Med Chem Lett 3: 135-139 (2012) TBA 2D 3D TSV
24900436 18 Discovery of PF-04449913, a Potent and Orally Bioavailable Inhibitor of Smoothened.EBI ACS Med Chem Lett 3: 106-111 (2012) TBA 2D 3D TSV
24900435 50 Discovery of a Potent Dihydrooxadiazole Series of Non-ATP-Competitive MK2 (MAPKAPK2) Inhibitors.EBI ACS Med Chem Lett 3: 100-105 (2012) TBA 2D 3D TSV
24900432 51 Identification of Potent, Selective, Cell-Active Inhibitors of the Histone Lysine Methyltransferase EZH2.EBI ACS Med Chem Lett 3: 1091-1096 (2012) TBA 2D 3D TSV
24900430 6 Identification of amides as carboxylic Acid surrogates for quinolizidinone-based m1 positive allosteric modulators.EBI ACS Med Chem Lett 3: 1070-1074 (2012) TBA 2D 3D TSV
24900428 67 Structure-Based Design of Potent and Selective CK1¿ Inhibitors.EBI ACS Med Chem Lett 3: 1059-1064 (2012) TBA 2D 3D TSV
24900427 68 Inhibitors of the NAD(+)-Dependent Protein Desuccinylase and Demalonylase Sirt5.EBI ACS Med Chem Lett 3: 1050-1053 (2012) TBA 2D 3D TSV
24900426 4 A new approach to explore the binding space of polysaccharide-based ligands: selectin antagonists.EBI ACS Med Chem Lett 3: 1045-1049 (2012) TBA 2D 3D TSV
24900425 72 Discovery of a 4-Azetidinyl-1-thiazoyl-cyclohexane CCR2 Antagonist as a Development Candidate.EBI ACS Med Chem Lett 3: 1039-1044 (2012) TBA 2D 3D TSV
24900424 60 SAR Development of Lysine-Based Irreversible Inhibitors of Transglutaminase 2 for Huntington's Disease.EBI ACS Med Chem Lett 3: 1024-1028 (2012) TBA 2D 3D TSV
24900421 87 Discovery of AC710, a Globally Selective Inhibitor of Platelet-Derived Growth Factor Receptor-Family Kinases.EBI ACS Med Chem Lett 3: 997-1002 (2012) TBA 2D 3D TSV
24900419 3 Peptides and Pseudopeptides as SIRT6 Deacetylation Inhibitors.EBI ACS Med Chem Lett 3: 969-974 (2012) TBA 2D 3D TSV
24900417 59 Development of Synthetic Aminopeptidase N/CD13 Inhibitors to Overcome Cancer Metastasis and Angiogenesis.EBI ACS Med Chem Lett 3: 959-964 (2012) TBA 2D 3D TSV
24900416 25 GPR119 Modulators for the Treatment of Diabetes, Obesity, and Related Diseases: Patent Highlight.EBI ACS Med Chem Lett 3: 955-958 (2012) TBA 2D 3D TSV
24900410 2 Evaluation of [(11)C]N-Methyl Lansoprazole as a Radiopharmaceutical for PET Imaging of Tau Neurofibrillary Tangles.EBI ACS Med Chem Lett 3: 936-941 (2012) TBA 2D 3D TSV
24900409 43 Synthesis and SAR Studies of Fused Oxadiazines as ?-Secretase Modulators for Treatment of Alzheimer's Disease.EBI ACS Med Chem Lett 3: 931-5 (2012) Merck Research Laboratory 2D 3D TSV
24900408 4 Nonpeptidic lysosomal modulators derived from z-phe-ala-diazomethylketone for treating protein accumulation diseases.EBI ACS Med Chem Lett 3: 920-924 (2012) TBA 2D 3D TSV
24900407 63 Neuroprotective Tri- and Tetracyclic BChE Inhibitors Releasing Reversible Inhibitors upon Carbamate Transfer.EBI ACS Med Chem Lett 3: 914-919 (2012) TBA 2D 3D TSV
24900406 2 Initial Optimization of a New Series of ?-Secretase Modulators Derived from a Triterpene Glycoside.EBI ACS Med Chem Lett 3: 908-13 (2012) Satori Pharmaceuticals, Inc. 2D 3D TSV
24900404 27 Discovery of SCH 900229, a Potent Presenilin 1 Selective ¿-Secretase Inhibitor for the Treatment of Alzheimer's Disease.EBI ACS Med Chem Lett 3: 892-896 (2012) TBA 2D 3D TSV
24900403 42 A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of ß-Secretase.EBI ACS Med Chem Lett 3: 886-891 (2012) TBA 2D 3D TSV
24900400 18 Benzenesulfonyl and Benzenesulfonamide as Modulators of the 5-HT6 Receptor: Patent Highlight.EBI ACS Med Chem Lett 3: 881-2 (2012) Dart Neuroscience LLC 2D 3D TSV
24900399 10 Novel and selective inhibitors of histone deacetylase: patent highlight.EBI ACS Med Chem Lett 3: 879-80 (2012) Dart Neuroscience LLC 2D 3D TSV
24900397 18 Compounds and Their Use as BACE Inhibitors: Patent Highlight.EBI ACS Med Chem Lett 3: 875-876 (2012) TBA 2D 3D TSV
24900396 8 5-Amino-oxazepine and 5-Amino-thiazepine Compounds as ß-Secretase Antagonists and Methods of Use: Patent Highlight.EBI ACS Med Chem Lett 3: 873-874 (2012) TBA 2D 3D TSV
24900395 3 BACE-Inhibitors: Potential Treatment of Alzheimer Disease, Dementia, and Related Neurodegenerative Diseases. C. Spiro-Heterocyclic Derivatives: Patent Highlight.EBI ACS Med Chem Lett 3: 871-872 (2012) TBA 2D 3D TSV
24900394 8 BACE Inhibitors: Potential Treatment of Alzheimer's Disease, Dementia, and Related Neurodegenerative Disorders (B): 3-Amino-4-fluoro-1H-isoindol Derivatives: Patent Highlight.EBI ACS Med Chem Lett 3: 869-870 (2012) TBA 2D 3D TSV
24900393 4 BACE Inhibitors: Potential Treatment of Alzheimer's Disease, Dementia, and Related Neurodegenerative Disorders (A): 5,6-Dihydroimidazo[1,2-a]pyrazin-8-yl-amine Derivatives: Patent Highlight.EBI ACS Med Chem Lett 3: 867-868 (2012) TBA 2D 3D TSV
24900389 8 Discovery of the First Potent Inhibitors of Mutant IDH1 That Lower Tumor 2-HG in Vivo.EBI ACS Med Chem Lett 3: 850-855 (2012) TBA 2D 3D TSV
24900387 11 Discovery of a novel chemotype of tyrosine kinase inhibitors by fragment-based docking and molecular dynamics.EBI ACS Med Chem Lett 3: 834-838 (2012) TBA 2D 3D TSV
24900385 51 Aryl Piperazinyl Ureas as Inhibitors of Fatty Acid Amide Hydrolase (FAAH) in Rat, Dog, and Primate.EBI ACS Med Chem Lett 3: 823-827 (2012) TBA 2D 3D TSV
24900382 41 Discovery of 2-Alkyl-1-arylsulfonylprolinamides as 11ß-Hydroxysteroid Dehydrogenase Type 1 Inhibitors.EBI ACS Med Chem Lett 3: 793-798 (2012) TBA 2D 3D TSV
24900381 27 Selective Dual Inhibitors of the Cancer-Related Deubiquitylating Proteases USP7 and USP47.EBI ACS Med Chem Lett 3: 789-792 (2012) TBA 2D 3D TSV
24900380 3 Novel compounds for the treatment of neurodegenerative diseases: patent highlight.EBI ACS Med Chem Lett 3: 788-788 (2012) TBA 2D 3D TSV
24900376 5 Combatting Drug-Resistant Bacteria with Gyrase and Topoisomerase IV Inhibitors: Patent Highlight.EBI ACS Med Chem Lett 3: 783-784 (2012) TBA 2D 3D TSV
24900375 4 Factor D Inhibitors for the Treatment of AMD: Patent Highlight.EBI ACS Med Chem Lett 3: 781-782 (2012) TBA 2D 3D TSV
24900374 34 Optimization of a Potent, Orally Active S1P1 Agonist Containing a Quinolinone Core.EBI ACS Med Chem Lett 3: 74-78 (2012) TBA 2D 3D TSV
24900372 60 Discovery of SCH 900271, a Potent Nicotinic Acid Receptor Agonist for the Treatment of Dyslipidemia.EBI ACS Med Chem Lett 3: 63-68 (2012) TBA 2D 3D TSV
24900371 4 (18)F-labeled phenyldiazenyl benzothiazole for in vivo imaging of neurofibrillary tangles in Alzheimer's disease brains.EBI ACS Med Chem Lett 3: 58-62 (2012) TBA 2D 3D TSV
24900367 16 Proposed Bioactive Conformations of Opiorphin, an Endogenous Dual APN/NEP Inhibitor.EBI ACS Med Chem Lett 3: 20-24 (2012) TBA 2D 3D TSV
24900366 1 Prodrugs of a CXC Chemokine-12 (CXCL12) Neutraligand Prevent Inflammatory Reactions in an Asthma Model in Vivo.EBI ACS Med Chem Lett 3: 10-14 (2012) TBA 2D 3D TSV
24900364 32 Optimization of Potent Inhibitors of P. falciparum Dihydroorotate Dehydrogenase for the Treatment of Malaria.EBI ACS Med Chem Lett 2: 708-713 (2011) TBA 2D 3D TSV
24900362 5 A Novel (18)F-Labeled Imidazo[2,1-b]benzothiazole (IBT) for High-Contrast PET Imaging of ?-Amyloid Plaques.EBI ACS Med Chem Lett 2: 673-7 (2011) Technische Universit£t M£nchen 2D 3D TSV
24900361 27 Exploring aigialomycin d and its analogues as protein kinase inhibitors for cancer targets.EBI ACS Med Chem Lett 2: 662-666 (2011) TBA 2D 3D TSV
24900360 24 Synthesis and Cardiac Imaging of (18)F-Ligands Selective for ß1-Adrenoreceptors.EBI ACS Med Chem Lett 2: 650-655 (2011) TBA 2D 3D TSV
24900359 31 Optimization of the Central Core of Indolinone-Acetic Acid-Based CRTH2 (DP2) Receptor Antagonists.EBI ACS Med Chem Lett 2: 644-649 (2011) TBA 2D 3D TSV
24900358 69 Discovery and Hit-to-Lead Optimization of Non-ATP Competitive MK2 (MAPKAPK2) Inhibitors.EBI ACS Med Chem Lett 2: 632-637 (2011) TBA 2D 3D TSV
24900357 16 The myo-1,2-Diaminocyclitol Scaffold Defines Potent Glucocerebrosidase Activators and Promising Pharmacological Chaperones for Gaucher Disease.EBI ACS Med Chem Lett 2: 614-619 (2011) TBA 2D 3D TSV
24900353 6 Combination of a Beta adrenoceptor modulator and a norepinephrine-serotonin uptake inhibitor for the treatment of obesity.EBI ACS Med Chem Lett 2: 583-586 (2011) TBA 2D 3D TSV
24900351 19 Bivalent Ligands for the Serotonin 5-HT3 Receptor.EBI ACS Med Chem Lett 2: 571-576 (2011) TBA 2D 3D TSV
24900349 90 Optimization of the First Selective Steroid-11ß-hydroxylase (CYP11B1) Inhibitors for the Treatment of Cortisol Dependent Diseases.EBI ACS Med Chem Lett 2: 559-564 (2011) TBA 2D 3D TSV
24900346 90 Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site.EBI ACS Med Chem Lett 2: 538-543 (2011) TBA 2D 3D TSV
24900345 28 Structure-Activity Relationship Studies of HIV-1 Integrase Oligonucleotide Inhibitors.EBI ACS Med Chem Lett 2: 532-7 (2011) Lomonosov Moscow State University 2D 3D TSV
24900342 106 Assessment of partially deoxygenated deoxynojirimycin derivatives as glucosylceramide synthase inhibitors.EBI ACS Med Chem Lett 2: 519-522 (2011) TBA 2D 3D TSV
24900341 30 Benzodiazepinone Derivatives as CRTH2 Antagonists.EBI ACS Med Chem Lett 2: 515-518 (2011) TBA 2D 3D TSV
24900340 40 N-Methylated sst2 Selective Somatostatin Cyclic Peptide Analogue as a Potent Candidate for Treating Neurogenic Inflammation.EBI ACS Med Chem Lett 2: 509-514 (2011) TBA 2D 3D TSV
24900338 19 Synthesis and Evaluation of 5-Fluoro-2-aryloxazolo[5,4-b]pyridines as ?-Amyloid PET Ligands and Identification of MK-3328.EBI ACS Med Chem Lett 2: 498-502 (2011) Merck Research Laboratories 2D 3D TSV
24900335 6 Ranking high affinity ligands of low solubility by NMR spectroscopy.EBI ACS Med Chem Lett 2: 485-487 (2011) TBA 2D 3D TSV
24900334 89 N-Pyridyl and Pyrimidine Benzamides as KCNQ2/Q3 Potassium Channel Openers for the Treatment of Epilepsy.EBI ACS Med Chem Lett 2: 481-484 (2011) TBA 2D 3D TSV
24900333 9 Potent CXCR4 antagonists containing amidine type Peptide bond isosteres.EBI ACS Med Chem Lett 2: 477-480 (2011) TBA 2D 3D TSV
24900331 5 Disubstituted Bis-THF Moieties as New P2 Ligands in Nonpeptidal HIV-1 Protease Inhibitors.EBI ACS Med Chem Lett 2: 461-5 (2011) University of Southampton 2D 3D TSV
24900330 47 The impact of ionization States of matrix metalloproteinase inhibitors on docking-based inhibitor design.EBI ACS Med Chem Lett 2: 455-460 (2011) TBA 2D 3D TSV
24900329 49 Discovery of INCB3284, a Potent, Selective, and Orally Bioavailable hCCR2 Antagonist.EBI ACS Med Chem Lett 2: 450-454 (2011) TBA 2D 3D TSV
24900325 10 Bisdionin C-a rationally designed, submicromolar inhibitor of family 18 chitinases.EBI ACS Med Chem Lett 2: 428-432 (2011) TBA 2D 3D TSV
24900324 8 Discovery of substituted biphenyl oxazolidinone inhibitors of cholesteryl ester transfer protein.EBI ACS Med Chem Lett 2: 424-427 (2011) TBA 2D 3D TSV
24900321 10 Discovery of PF-04620110, a Potent, Selective, and Orally Bioavailable Inhibitor of DGAT-1.EBI ACS Med Chem Lett 2: 407-412 (2011) TBA 2D 3D TSV
24900320 1 Discovery of s-nitrosoglutathione reductase inhibitors: potential agents for the treatment of asthma and other inflammatory diseases.EBI ACS Med Chem Lett 2: 402-406 (2011) TBA 2D 3D TSV
24900318 8 Discovery of CS-0777: A Potent, Selective, and Orally Active S1P1 Agonist.EBI ACS Med Chem Lett 2: 368-372 (2011) TBA 2D 3D TSV
24900317 11 Indomethacin Analogues that Enhance Doxorubicin Cytotoxicity in Multidrug Resistant Cells without Cox Inhibitory Activity.EBI ACS Med Chem Lett 2: 353-357 (2011) TBA 2D 3D TSV
24900315 42 Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.EBI ACS Med Chem Lett 2: 342-7 (2011) Array BioPharma 2D 3D TSV
24900313 97 Discovery of AMG 853, a CRTH2 and DP Dual Antagonist.EBI ACS Med Chem Lett 2: 326-330 (2011) TBA 2D 3D TSV
24900305 14 Structure Guided Development of Potent Reversibly Binding Penicillin Binding Protein InhibitorsEBI ACS Med Chem Lett 2: 219-223 (2011) TBA 2D 3D TSV
24900302 27 Hybrid Dual Aromatase-Steroid Sulfatase Inhibitors with Exquisite Picomolar Inhibitory ActivityEBI ACS Med Chem Lett 2: 243-247 (2011) TBA 2D 3D TSV
24900301 24 Discovery of a Potent and Short−Acting Oral Calcilytic with a Pulsatile Secretion of Parathyroid HormoneEBI ACS Med Chem Lett 2: 238-242 (2011) TBA 2D 3D TSV
24900298 100 Discovery of LAS101057: A Potent, Selective, and Orally Efficacious A2B Adenosine Receptor AntagonistEBI ACS Med Chem Lett 2: 213-218 (2011) TBA 2D 3D TSV
24900297 47 Synthesis and SAR of Thiazolylmethylphenyl Glucoside as Novel C-Aryl Glucoside SGLT2 InhibitorsEBI ACS Med Chem Lett 2: 182-187 (2011) TBA 2D 3D TSV
24900296 38 Sulfonate-Containing Thiiranes as Selective Gelatinase InhibitorsEBI ACS Med Chem Lett 2: 177-181 (2011) TBA 2D 3D TSV
24900295 61 Discovery of a Potent Nicotinic Acid Receptor Agonist for the Treatment of DyslipidemiaEBI ACS Med Chem Lett 2: 171-176 (2011) TBA 2D 3D TSV
24900294 72 Novel 3-Aryl Indoles as Progesterone Receptor Antagonists for Uterine FibroidsEBI ACS Med Chem Lett 2: 148-153 (2011) TBA 2D 3D TSV
24900293 78 Discovery of novel cyanamide-based inhibitors of cathepsin C.EBI ACS Med Chem Lett 2: 142-147 (2011) TBA 2D 3D TSV
24900292 9 TSPO 18 kDa (PBR) Targeted Photosensitizers for Cancer Imaging (PET) and PDT.EBI ACS Med Chem Lett 2: 136-141 (2011) TBA 2D 3D TSV
24900290 7 Design, Synthesis, and Preclinical Characterization of the Selective Androgen Receptor Modulator (SARM) RAD140EBI ACS Med Chem Lett 2: 124-129 (2011) TBA 2D 3D TSV
24900289 155 Identification of Potent and Selective Glucosylceramide Synthase Inhibitors from a Library of N-Alkylated IminosugarsEBI ACS Med Chem Lett 2: 119-123 (2011) TBA 2D 3D TSV
24900288 32 Discovery of AMG 369, a Thiazolo[5,4-b]pyridine Agonist of S1P1 and S1P5EBI ACS Med Chem Lett 2: 107-112 (2011) TBA 2D 3D TSV
24900287 47 Discovery of a Potent, S1P3-Sparing Benzothiazole Agonist of Sphingosine-1-Phosphate Receptor 1 (S1P1)EBI ACS Med Chem Lett 2: 102-106 (2011) TBA 2D 3D TSV
24900286 65 Benzofuran Derivatives as Potent, Orally Active S1P1 Receptor Agonists: A Preclinical Lead Molecule for MSEBI ACS Med Chem Lett 2: 97-101 (2011) TBA 2D 3D TSV
24900284 129 Discovery of a Novel Series of CRTH2 (DP2) Receptor Antagonists Devoid of Carboxylic Acids.EBI ACS Med Chem Lett 2: 938-942 (2011) TBA 2D 3D TSV
24900283 80 Discovery of benzodiazepine sulfonamide-based bombesin receptor subtype 3 agonists and their unusual chirality.EBI ACS Med Chem Lett 2: 933-937 (2011) TBA 2D 3D TSV
24900281 15 Potent and Selective Inhibitors of Long Chain l-2-Hydroxy Acid Oxidase Reduced Blood Pressure in DOCA Salt-Treated Rats.EBI ACS Med Chem Lett 2: 919-923 (2011) TBA 2D 3D TSV
24900280 81 Discovery of INCB8761/PF-4136309, a Potent, Selective, and Orally Bioavailable CCR2 Antagonist.EBI ACS Med Chem Lett 2: 913-918 (2011) TBA 2D 3D TSV
24900278 3 Discovery of a Potent Retinoid X Receptor Antagonist Structurally Closely Related to RXR Agonist NEt-3IB.EBI ACS Med Chem Lett 2: 896-900 (2011) TBA 2D 3D TSV
24900277 36 Development of Polar Adenosine A2A Receptor Agonists for Inflammatory Bowel Disease: Synergism with A2B Antagonists.EBI ACS Med Chem Lett 2: 890-895 (2011) TBA 2D 3D TSV
24900275 1 Identification of a Potent and Selective Cannabinoid CB1 Receptor Antagonist from Auxarthron reticulatum.EBI ACS Med Chem Lett 2: 866-869 (2011) TBA 2D 3D TSV
24900272 14 Homology Model and Docking-Based Virtual Screening for Ligands of the s1 Receptor.EBI ACS Med Chem Lett 2: 834-839 (2011) TBA 2D 3D TSV
24900270 22 Synthesis and Evaluation of the Metabolites of AMG 221, a Clinical Candidate for the Treatment of Type 2 Diabetes.EBI ACS Med Chem Lett 2: 824-827 (2011) TBA 2D 3D TSV
24900269 18 Highly Selective and Potent Thiophenes as PI3K Inhibitors with Oral Antitumor Activity.EBI ACS Med Chem Lett 2: 809-813 (2011) TBA 2D 3D TSV
24900268 18 Mannitol Bis-phosphate Based Inhibitors of Fructose 1,6-Bisphosphate Aldolases.EBI ACS Med Chem Lett 2: 804-808 (2011) TBA 2D 3D TSV
24900267 9 Discovery of BIIB042, a Potent, Selective, and Orally Bioavailable ¿-Secretase Modulator.EBI ACS Med Chem Lett 2: 786-791 (2011) TBA 2D 3D TSV
24900266 24 Identification of NVP-BKM120 as a Potent, Selective, Orally Bioavailable Class I PI3 Kinase Inhibitor for Treating Cancer.EBI ACS Med Chem Lett 2: 774-779 (2011) TBA 2D 3D TSV
24900264 106 The Discovery of VX-745: A Novel and Selective p38a Kinase Inhibitor.EBI ACS Med Chem Lett 2: 758-763 (2011) TBA 2D 3D TSV
24900263 18 4-Methoxy-N-[2-(trifluoromethyl)biphenyl-4-ylcarbamoyl]nicotinamide: A Potent and Selective Agonist of S1P1.EBI ACS Med Chem Lett 2: 752-757 (2011) TBA 2D 3D TSV
24900262 31 Discovery of VTP-27999, an Alkyl Amine Renin Inhibitor with Potential for Clinical Utility.EBI ACS Med Chem Lett 2: 747-751 (2011) TBA 2D 3D TSV
24900258 14 3D Pharmacophore Model-Assisted Discovery of Novel CDC7 Inhibitors.EBI ACS Med Chem Lett 2: 720-723 (2011) TBA 2D 3D TSV
24900256 19 Development of Selective LH Receptor Agonists by Heterodimerization with a FSH Receptor AntagonistEBI ACS Med Chem Lett 2: 85-89 (2011) TBA 2D 3D TSV
24900255 19 Benzimidazoles as Potent and Orally Active mGlu5 Receptor Antagonists with an Improved PK ProfileEBI ACS Med Chem Lett 2: 58-62 (2011) TBA 2D 3D TSV
24900254 14 Activation of Neuropeptide FF Receptors by Kisspeptin Receptor Ligands.EBI ACS Med Chem Lett 2: 53-57 (2011) TBA 2D 3D TSV
24900253 28 Discovery of MK-5046, a Potent, Selective Bombesin Receptor Subtype-3 Agonist for the Treatment of ObesityEBI ACS Med Chem Lett 2: 43-47 (2011) TBA 2D 3D TSV
24900252 33 Synthesis and in Vitro and in Vivo Evaluation of Phosphoinositide-3-kinase InhibitorsEBI ACS Med Chem Lett 2: 34-38 (2011) TBA 2D 3D TSV
24900250 81 Kinase Inhibition by Deoxy Analogues of the Resorcylic Lactone L-783277EBI ACS Med Chem Lett 2: 22-27 (2011) TBA 2D 3D TSV
24900248 10 Novel Cyclic Phosphinic Acids as GABAC ρ Receptor Antagonists: Design, Synthesis, and PharmacologyEBI ACS Med Chem Lett 2: 11-16 (2011) TBA 2D 3D TSV
24900247 78 First Selective CYP11B1 Inhibitors for the Treatment of Cortisol-Dependent DiseasesEBI ACS Med Chem Lett 2: 2-6 (2011) TBA 2D 3D TSV
24900244 8 Facile synthesis of a fluorescent cyclosporin a analogue to study cyclophilin 40 and cyclophilin 18 ligands.EBI ACS Med Chem Lett 1: 536-539 (2010) TBA 2D 3D TSV
24900243 44 Design, Synthesis, and in Vitro Evaluation of Novel Aminomethyl-pyridines as DPP-4 Inhibitors.EBI ACS Med Chem Lett 1: 530-535 (2010) TBA 2D 3D TSV
24900242 16 Benzimidazole-2-pyrazole HIF Prolyl 4-Hydroxylase Inhibitors as Oral Erythropoietin Secretagogues.EBI ACS Med Chem Lett 1: 526-529 (2010) TBA 2D 3D TSV
24900241 15 Modification at the Lipophilic Domain of RXR Agonists Differentially Influences Activation of RXR Heterodimers.EBI ACS Med Chem Lett 1: 521-525 (2010) TBA 2D 3D TSV
24900240 19 Discovery of an Orally Efficacious Imidazo[5,1-f][1,2,4]triazine Dual Inhibitor of IGF-1R and IR.EBI ACS Med Chem Lett 1: 510-515 (2010) TBA 2D 3D TSV
24900239 7 Short-acting T-type calcium channel antagonists significantly modify sleep architecture in rodents.EBI ACS Med Chem Lett 1: 504-509 (2010) TBA 2D 3D TSV
24900237 41 Discovery of a potent inhibitor of anaplastic lymphoma kinase with in vivo antitumor activity.EBI ACS Med Chem Lett 1: 493-498 (2010) TBA 2D 3D TSV
24900236 56 Discovery of Dual VEGFR-2 and Tubulin Inhibitors with in Vivo Efficacy.EBI ACS Med Chem Lett 1: 488-492 (2010) TBA 2D 3D TSV
24900235 25 Discovery of INCB9471, a Potent, Selective, and Orally Bioavailable CCR5 Antagonist with Potent Anti-HIV-1 Activity.EBI ACS Med Chem Lett 1: 483-487 (2010) TBA 2D 3D TSV
24900233 7 Discovery of omecamtiv mecarbil the first, selective, small molecule activator of cardiac Myosin.EBI ACS Med Chem Lett 1: 472-477 (2010) TBA 2D 3D TSV
24900231 22 Identification of Niclosamide as a New Small-Molecule Inhibitor of the STAT3 Signaling Pathway.EBI ACS Med Chem Lett 1: 454-459 (2010) TBA 2D 3D TSV
24900229 41 Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.EBI ACS Med Chem Lett 1: 439-442 (2010) TBA 2D 3D TSV
24900227 8 Exploring a7-Nicotinic Receptor Ligand Diversity by Scaffold Enumeration from the Chemical Universe Database GDB.EBI ACS Med Chem Lett 1: 422-426 (2010) TBA 2D 3D TSV
24900226 3 From taxuspine x to structurally simplified taxanes with remarkable p-glycoprotein inhibitory activity.EBI ACS Med Chem Lett 1: 416-421 (2010) TBA 2D 3D TSV
24900225 26 Antiproliferative and differentiating activities of a novel series of histone deacetylase inhibitors.EBI ACS Med Chem Lett 1: 411-5 (2010) Menarini Ricerche S.p.A. 2D 3D TSV
24900220 9 Identification of a New Series of STAT3 Inhibitors by Virtual Screening.EBI ACS Med Chem Lett 1: 371-375 (2010) TBA 2D 3D TSV
24900218 20 Identification of an Orally Bioavailable, Potent, and Selective Inhibitor of GlyT1.EBI ACS Med Chem Lett 1: 350-354 (2010) TBA 2D 3D TSV
24900217 1 Structure-Activity Study of Dihydrocinnamic Acids and Discovery of the Potent FFA1 (GPR40) Agonist TUG-469.EBI ACS Med Chem Lett 1: 345-349 (2010) TBA 2D 3D TSV
24900216 33 Novel and Potent 5-Piperazinyl Methyl-N 1-aryl Sulfonyl Indole Derivatives as 5-HT6 Receptor Ligands.EBI ACS Med Chem Lett 1: 340-344 (2010) TBA 2D 3D TSV
24900213 25 Novel 3-Oxazolidinedione-6-aryl-pyridinones as Potent, Selective, and Orally Active EP3 Receptor Antagonists.EBI ACS Med Chem Lett 1: 316-320 (2010) TBA 2D 3D TSV
24900210 29 Discovery of TAK-875: A Potent, Selective, and Orally Bioavailable GPR40 Agonist.EBI ACS Med Chem Lett 1: 290-294 (2010) TBA 2D 3D TSV
24900209 5 Synthesis and Biochemical Testing of 3-(Carboxyphenylethyl)imidazo[2,1-f][1,2,4]triazines as Inhibitors of AMP Deaminase.EBI ACS Med Chem Lett 1: 286-289 (2010) TBA 2D 3D TSV
24900206 3 Quinolizidinone carboxylic acids as CNS penetrant, selective m1 allosteric muscarinic receptor modulators.EBI ACS Med Chem Lett 1: 263-267 (2010) TBA 2D 3D TSV
24900205 5 Synthesis and Biological Evaluation of Muraymycin Analogues Active against Anti-Drug-Resistant Bacteria.EBI ACS Med Chem Lett 1: 258-262 (2010) TBA 2D 3D TSV
24900203 13 Development of Fluorescent Ligands for the Human 5-HT1A Receptor.EBI ACS Med Chem Lett 1: 249-253 (2010) TBA 2D 3D TSV
24900202 38 Novel N-Substituted Benzimidazolones as Potent, Selective, CNS-Penetrant, and Orally Active M1 mAChR Agonists.EBI ACS Med Chem Lett 1: 244-248 (2010) TBA 2D 3D TSV
24899257 71 Novel pyridyl- or isoquinolinyl-substituted indolines and indoles as potent and selective aldosterone synthase inhibitors.EBI J Med Chem 57: 5179-89 (2014) Saarland University 2D 3D TSV
24894560 24 Discovery of novel 2-[2-(3-hydroxy-pyridin-2-yl)-thiazol-4-yl]-acetamide derivatives as HIF prolyl 4-hydroxylase inhibitors; SAR, synthesis and modeling evaluation.EBI Bioorg Med Chem Lett 24: 3142-5 (2014) Sungkyunkwan University 2D 3D TSV
24893124 4 Development of synthetic lethality anticancer therapeutics.EBI J Med Chem 57: 7859-73 (2014) The University of Texas M.D. Anderson Cancer Center 2D 3D TSV
24891505 6 Two amino acid residues confer different binding affinities of Abelson family kinase SRC homology 2 domains for phosphorylated cortactin.BDB J Biol Chem 289: 19704-13 (2014) Yale University 2D 3D TSV
24890653 19 Catechol-rhodanine derivatives: Specific and promiscuous inhibitors of Escherichia coli deoxyxylulose phosphate reductoisomerase (DXR).EBI Bioorg Med Chem 22: 3713-9 (2014) University of Strasburg 2D 3D TSV
24890652 44 The design and discovery of water soluble 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as multitargeted receptor tyrosine kinase inhibitors and microtubule targeting antitumor agents.EBI Bioorg Med Chem 22: 3753-72 (2014) Duquesne University 2D 3D TSV
24890090 1 Thiazolidine-2,4-diones derivatives as PPAR-¿ agonists: synthesis, molecular docking, in vitro and in vivo antidiabetic activity with hepatotoxicity risk evaluation and effect on PPAR-¿ gene expression.EBI Bioorg Med Chem Lett 24: 3034-42 (2014) Jamia Hamdard (Hamdard University) 2D 3D TSV
24889744 4 Identification of 1, 4-Dihydrothieno [3', 2':5, 6]thiopyrano[4, 3-c] pyrazole derivatives as human 5-Lipo-oxygenase inhibitors.BDB Chem Biol Drug Des 84: 642-7 (2014) Peking University 2D 3D TSV
24884780 53 Structure guided design and kinetic analysis of highly potent benzimidazole inhibitors targeting the PDEd prenyl binding site.EBI J Med Chem 57: 5435-48 (2014) Max Planck Institute of Molecular Physiology 2D 3D TSV
24884675 70 Discovery, optimization, and biological evaluation of 5-(2-(trifluoromethyl)phenyl)indazoles as a novel class of transient receptor potential A1 (TRPA1) antagonists.EBI J Med Chem 57: 5129-40 (2014) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
24884590 17 Discovery of the first potent and orally available agonist of the orphan G-protein-coupled receptor 52.EBI J Med Chem 57: 5226-37 (2014) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
24883177 10 Synthesis and evaluation of novel cyclic Peptide inhibitors of lysine-specific demethylase 1.EBI ACS Med Chem Lett 5: 29-33 (2014) Medical University of South Carolina 2D 3D TSV
24882676 6 Novel 3-arylfuran-2(5H)-one-fluoroquinolone hybrid: design, synthesis and evaluation as antibacterial agent.EBI Bioorg Med Chem 22: 3620-8 (2014) Jishou University 2D 3D TSV
24882675 12 Design, synthesis and biological evaluation of novel 6,7-disubstituted-4-phenoxyquinoline derivatives bearing 4-oxo-3,4-dihydrophthalazine-1-carboxamide moieties as c-Met kinase inhibitors.EBI Bioorg Med Chem 22: 3642-53 (2014) Shenyang Pharmaceutical University 2D 3D TSV
24881567 73 Towards the next generation of dual Bcl-2/Bcl-xL inhibitors.EBI Bioorg Med Chem Lett 24: 3026-33 (2014) AstraZeneca 2D 3D TSV
24881566 140 Identification of diarylsulfonamides as agonists of the free fatty acid receptor 4 (FFA4/GPR120).EBI Bioorg Med Chem Lett 24: 3100-3 (2014) GlaxoSmithKline 2D 3D TSV
24881565 15 Design, synthesis and evaluation of phenethylaminoheterocycles as K(v)1.5 inhibitors.EBI Bioorg Med Chem Lett 24: 3018-22 (2014) Bristol-Myers Squibb Research and Development 2D 3D TSV
24880903 24 Discovery of a series of aryl-N-(3-(alkylamino)-5-(trifluoromethyl)phenyl)benzamides as TRPA1 antagonists.EBI Bioorg Med Chem Lett 24: 3204-6 (2014) AstraZeneca 2D 3D TSV
24880902 50 Structure-activity relationship and interaction studies of new SIRT1 inhibitors with the scaffold of 3-(furan-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.EBI Bioorg Med Chem Lett 24: 3050-6 (2014) Chinese Academy of Sciences 2D 3D TSV
24880489 7 Novel synthesis of dihydropyrimidines for a-glucosidase inhibition to treat type 2 diabetes: in vitro biological evaluation and in silico docking.BDB Bioorg Chem 54: 96-104 (2014) COMSATS Institute of Information Technology 2D 3D TSV
24880232 25 Inhibition of Enterococcus faecalis biofilm formation by highly active lactones and lactams analogues of rubrolides.EBI Eur J Med Chem 82: 127-38 (2014) Federal University of Vi£osa 2D 3D TSV
24878638 32 Thiosemicarbazide, a fragment with promising indolamine-2,3-dioxygenase (IDO) inhibition properties.EBI Eur J Med Chem 82: 96-105 (2014) University of Namur (UNamur) 2D 3D TSV
24878360 76 Carbonic anhydrase inhibitors: Synthesis, molecular docking, cytotoxic and inhibition of the human carbonic anhydrase isoforms I, II, IX, XII with novel benzenesulfonamides incorporating pyrrole, pyrrolopyrimidine and fused pyrrolopyrimidine moieties.EBI Bioorg Med Chem 22: 3684-95 (2014) King Saud University 2D 3D TSV
24878269 50 Novel aza-analogous ergoline derived scaffolds as potent serotonin 5-HT6 and dopamine D2 receptor ligands.EBI J Med Chem 57: 5823-8 (2014) University of Copenhagen 2D 3D TSV
24878222 50 Multiparameter optimization in CNS drug discovery: design of pyrimido[4,5-d]azepines as potent 5-hydroxytryptamine 2C (5-HT2C) receptor agonists with exquisite functional selectivity over 5-HT2A and 5-HT2B receptors.EBI J Med Chem 57: 5258-69 (2014) Pfizer Inc 2D 3D TSV
24878198 4 Naturally occurring polyphenolic inhibitors of amyloid beta aggregation.EBI Bioorg Med Chem Lett 24: 3108-12 (2014) CSIRO Manufacturing Flagship (Biomedical) 2D 3D TSV
24878193 8 Design, synthesis and biological evaluation of benzyl 2-(1H-imidazole-1-yl) pyrimidine analogues as selective and potent Raf inhibitors.EBI Bioorg Med Chem Lett 24: 3600-4 (2014) Hanyang University 2D 3D TSV
24874895 42 Lead optimization of 1,4-azaindoles as antimycobacterial agents.EBI J Med Chem 57: 5728-37 (2014) AstraZeneca 2D 3D TSV
24874785 333 New, potent, and selective peptidic oxytocin receptor agonists.EBI J Med Chem 57: 5306-17 (2014) Ferring Research Institute Inc. 2D 3D TSV
24874438 42 Design, synthesis, and structure-activity relationship studies of novel thioether pleuromutilin derivatives as potent antibacterial agents.EBI J Med Chem 57: 4772-95 (2014) Chinese Academy of Sciences 2D 3D TSV
24872411 2 Structure of REV-ERBß ligand-binding domain bound to a porphyrin antagonist.BDB J Biol Chem 289: 20054-66 (2014) The Scripps Research Institute 2D 3D TSV
24871996 124 Carbonic anhydrase inhibitors. Synthesis of a novel series of 5-substituted 2,4-dichlorobenzenesulfonamides and their inhibition of human cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII.EBI Eur J Med Chem 82: 47-55 (2014) Medical University of Gdansk 2D 3D TSV
24871995 18 Synthesis and structure-activity relationship studies in serotonin 5-HT4 receptor ligands based on a benzo[de][2,6]naphthridine scaffold.EBI Eur J Med Chem 82: 36-46 (2014) Universit£ degli Studi di Siena 2D 3D TSV
24871899 31 Further studies on ethyl 5-hydroxy-indole-3-carboxylate scaffold: design, synthesis and evaluation of 2-phenylthiomethyl-indole derivatives as efficient inhibitors of human 5-lipoxygenase.EBI Eur J Med Chem 81: 492-8 (2014) University of Naples 2D 3D TSV
24871036 13 4-aminoquinolone piperidine amides: noncovalent inhibitors of DprE1 with long residence time and potent antimycobacterial activity.EBI J Med Chem 57: 5419-34 (2014) AstraZeneca 2D 3D TSV
24870926 50 Lead optimization of a novel series of imidazo[1,2-a]pyridine amides leading to a clinical candidate (Q203) as a multi- and extensively-drug-resistant anti-tuberculosis agent.EBI J Med Chem 57: 5293-305 (2014) Institut Pasteur Korea 2D 3D TSV
24867403 156 The discovery of Polo-like kinase 4 inhibitors: design and optimization of spiro[cyclopropane-1,3'[3H]indol]-2'(1'H).ones as orally bioavailable antitumor agents.EBI J Med Chem 58: 130-46 (2015) EntreMed Inc. 2D 3D TSV
24867309 1 Dithiaarsanes induce oxidative stress-mediated apoptosis in HL-60 cells by selectively targeting thioredoxin reductase.EBI J Med Chem 57: 5203-11 (2014) Lanzhou University 2D 3D TSV
24864041 16 Synthesis and evaluation of (E)-2-(acrylamido)cyclohex-1-enecarboxylic acid derivatives as HCA1, HCA2, and HCA3 receptor agonists.EBI Bioorg Med Chem 22: 3654-69 (2014) Latvian Institute of Organic Synthesis 2D 3D TSV
24864038 112 Design and synthesis of novel and highly-active pan-histone deacetylase (pan-HDAC) inhibitors.EBI Bioorg Med Chem 22: 3720-31 (2014) Nippon Pharmaceutical Chemicals Co., Ltd 2D 3D TSV
24863981 59 4-Benzofuranyloxynicotinamide derivatives are novel potent and orally available TGR5 agonists.EBI Eur J Med Chem 82: 1-15 (2014) Chinese Academy of Sciences 2D 3D TSV
24863744 15 DDD-028: a potent potential non-opioid, non-cannabinoid analgesic for neuropathic and inflammatory pain.EBI Bioorg Med Chem Lett 24: 3088-91 (2014) University of Missouri 2D 3D TSV
24860094 14 Structure of the Acinetobacter baumannii dithiol oxidase DsbA bound to elongation factor EF-Tu reveals a novel protein interaction site.BDB J Biol Chem 289: 19869-80 (2014) University of Queensland 2D 3D TSV
24859762 10 Aromatic diacylhydrazine derivatives as a new class of polo-like kinase 1 (PLK1) inhibitors.EBI Eur J Med Chem 81: 420-6 (2014) Nanjing University 2D 3D TSV
24858546 46 Guanidinium-based derivatives: searching for new kinase inhibitors.EBI Eur J Med Chem 81: 427-41 (2014) Trinity College 2D 3D TSV
24858540 12 Dibenzo[1,4,5]thiadiazepine: a hardly-known heterocyclic system with neuroprotective properties of potential usefulness in the treatment of neurodegenerative diseases.EBI Eur J Med Chem 81: 350-8 (2014) Instituto de Qu£mica M£dica 2D 3D TSV
24857777 13 Design, synthesis and biological evaluation of hydroxy- or methoxy-substituted 5-benzylidene(thio) barbiturates as novel tyrosinase inhibitors.EBI Bioorg Med Chem 22: 3279-84 (2014) China National Analytical Center (Guangzhou) 2D 3D TSV
24856674 52 Identification of 1-({[1-(4-fluorophenyl)-5-(2-methoxyphenyl)-1H-pyrazol-3-yl]carbonyl}amino)cyclohexane carboxylic acid as a selective nonpeptide neurotensin receptor type 2 compound.EBI J Med Chem 57: 5318-32 (2014) Research Triangle Institute 2D 3D TSV
24856614 6 Synthesis and pharmacological evaluation of analogues of benzyl quinolone carboxylic acid (BQCA) designed to bind irreversibly to an allosteric site of the M1 muscarinic acetylcholine receptor.EBI J Med Chem 57: 5405-18 (2014) Monash University (Parkville Campus) 2D 3D TSV
24856304 25 New coumarin derivatives: design, synthesis and use as inhibitors of hMAO.EBI Bioorg Med Chem 22: 3732-8 (2014) Anhui Medical University 2D 3D TSV
24856302 1 Synthesis and biological evaluation of substituted 3-anilino-quinolin-2(1H)-ones as PDK1 inhibitors.EBI Bioorg Med Chem 22: 3781-90 (2014) La Trobe University 2D 3D TSV
24856185 2 Inhibition by active site directed covalent modification of human glyoxalase I.EBI Bioorg Med Chem 22: 3301-8 (2014) University of Maryland 2D 3D TSV
24856184 24 Oxidation of cyanobenzocycloheptatrienes: Synthesis, photooxygenation reaction and carbonic anhydrase isoenzymes inhibition properties of some new benzotropone derivatives.EBI Bioorg Med Chem 22: 3537-43 (2014) AgriIbrahim£e£en University 2D 3D TSV
24856183 4 Ultrapure ajulemic acid has improved CB2 selectivity with reduced CB1 activity.EBI Bioorg Med Chem 22: 3245-51 (2014) Corbus Pharmaceuticals, Inc. 2D 3D TSV
24856182 23 Combination of cyclohexane and piperazine based¿-opioid receptor agonists: Synthesis and pharmacological evaluation of trans,trans-configured perhydroquinoxalines.EBI Bioorg Med Chem 22: 3316-24 (2014) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
24856068 48 Pharmacophore based virtual screening, molecular docking and biological evaluation to identify novel PDE5 inhibitors with vasodilatory activity.EBI Bioorg Med Chem Lett 24: 3137-41 (2014) Banasthali University 2D 3D TSV
24856064 9 Discovery of N-substituted 7-azaindoline derivatives as potent, orally available M1 and M4 muscarinic acetylcholine receptors selective agonists.EBI Bioorg Med Chem Lett 24: 3189-93 (2014) Dainippon Sumitomo Pharma Co., Ltd 2D 3D TSV
24856061 13 Targeting the homologous recombination pathway by small molecule modulators.EBI Bioorg Med Chem Lett 24: 3006-13 (2014) Drexel University College of Medicine 2D 3D TSV
24856059 7 trans-Caryophyllene is a natural agonistic ligand for peroxisome proliferator-activated receptor-a.EBI Bioorg Med Chem Lett 24: 3168-74 (2014) Korea University 2D 3D TSV
24856058 3 Protein-ligand interactions: probing the energetics of a putative cation-? interaction.EBI Bioorg Med Chem Lett 24: 3164-7 (2014) The University of Texas 2D 3D TSV
24853323 17 Identification and characterization of a new reversible MAGL inhibitor.EBI Bioorg Med Chem 22: 3285-91 (2014) University of Pisa 2D 3D TSV
24853320 62 Amino derivatives of glycyrrhetinic acid as potential inhibitors of cholinesterases.EBI Bioorg Med Chem 22: 3370-8 (2014) Martin-Luther-Universit£t Halle-Wittenberg 2D 3D TSV
24852275 15 Design, synthesis and in vitro and in vivo antitumour activity of 3-benzylideneindolin-2-one derivatives, a novel class of small-molecule inhibitors of the MDM2-p53 interaction.EBI Eur J Med Chem 81: 277-88 (2014) Chinese Academy of Medical Science and Peking Union Medical College 2D 3D TSV
24852118 7 Discovery of N-sulfonyl-7-azaindoline derivatives as potent, orally available and selective M(4) muscarinic acetylcholine receptor agonists.EBI Bioorg Med Chem Lett 24: 2909-12 (2014) Dainippon Sumitomo Pharma Co., Ltd 2D 3D TSV
24850589 71 Serotonin 5-HT6 receptor antagonists for the treatment of cognitive deficiency in Alzheimer's disease.EBI J Med Chem 57: 7160-81 (2014) Universidad Complutense de Madrid 2D 3D TSV
24848155 35 Tranylcypromine substituted cis-hydroxycyclobutylnaphthamides as potent and selective dopamine D3 receptor antagonists.EBI J Med Chem 57: 4962-8 (2014) University of Michigan 2D 3D TSV
24847974 13 A fragment-based approach to identifying S-adenosyl-l-methionine -competitive inhibitors of catechol O-methyl transferase (COMT).EBI J Med Chem 57: 5459-63 (2014) Takeda California Inc 2D 3D TSV
24847734 32 Design, synthesis, and structure-activity relationships of pyridoquinazolinecarboxamides as RNA polymerase I inhibitors.EBI J Med Chem 57: 4950-61 (2014) Johns Hopkins University School of Medicine 2D 3D TSV
24847082 6 Opioid receptor function is regulated by post-endocytic peptide processing.BDB J Biol Chem 289: 19613-26 (2014) Icahn School of Medicine at Mount Sinai 2D 3D TSV
24846781 14 Highly potent and selective ectonucleotide pyrophosphatase/phosphodiesterase I inhibitors based on an adenosine 5'-(a or¿)-thio-(a,ß- orß,¿)-methylenetriphosphate scaffold.EBI J Med Chem 57: 4677-91 (2014) Bar-Ilan University 2D 3D TSV
24844758 6 Synthesis and biological comparison of enantiomers of mepenzolate bromide, a muscarinic receptor antagonist with bronchodilatory and anti-inflammatory activities.EBI Bioorg Med Chem 22: 3488-97 (2014) Keio University 2D 3D TSV
24844756 26 Synthesis andß-glucuronidase inhibitory activity of 2-arylquinazolin-4(3H)-ones.EBI Bioorg Med Chem 22: 3449-54 (2014) University of Karachi 2D 3D TSV
24844534 46 Tetra- and pentacyclic triterpene acids from the ancient anti-inflammatory remedy frankincense as inhibitors of microsomal prostaglandin E(2) synthase-1.EBI J Nat Prod 77: 1445-51 (2014) University of Tuebingen 2D 3D TSV
24844195 21 Synthesis and pharmacological characterization of new neuronal nicotinic acetylcholine receptor ligands derived from Sazetidine-A.EBI Bioorg Med Chem Lett 24: 2954-6 (2014) Georgetown University Medical Center 2D 3D TSV
24844139 4 Tryptophan hydroxylase 1 (Tph-1)-targeted bone anabolic agents for osteoporosis.EBI J Med Chem 57: 4692-709 (2014) Nanjing University 2D 3D TSV
24842618 56 The design and synthesis of novel SGLT2 inhibitors: C-glycosides with benzyltriazolopyridinone and phenylhydantoin as the aglycone moieties.EBI Bioorg Med Chem 22: 3414-22 (2014) AMRI 2D 3D TSV
24840014 25 Ingol-type diterpenes from Euphorbia antiquorum with mouse 11ß-hydroxysteroid dehydrogenase type 1 inhibition activity.EBI J Nat Prod 77: 1452-8 (2014) Lanzhou University 2D 3D TSV
24839540 26 In Vitro Membrane Permeation Studies and in Vivo Antinociception of Glycosylated DmtEBI ACS Med Chem Lett 5: 352-357 (2014) Vrije Universiteit Brussel 2D 3D TSV
24837158 60 Novel quinuclidinyl heteroarylcarbamate derivatives as muscarinic receptor antagonists.EBI Bioorg Med Chem 22: 3478-87 (2014) Astellas Pharma Inc 2D 3D TSV
24837157 2 Novel estrogen receptor (ER) modulators containing various hydrophobic bent-core structures.EBI Bioorg Med Chem 22: 3508-14 (2014) Tohoku Pharmaceutical University 2D 3D TSV
24837154 18 Novel benzimidazole derivatives as phosphodiesterase 10A (PDE10A) inhibitors with improved metabolic stability.EBI Bioorg Med Chem 22: 3515-26 (2014) Yamanouchi Pharmaceutical Co., Ltd 2D 3D TSV
24836072 38 Synthesis of novel 2-mercaptobenzoxazole based 1,2,3-triazoles as inhibitors of proinflammatory cytokines and suppressors of COX-2 gene expression.EBI Eur J Med Chem 81: 204-17 (2014) Jamia Hamdard (Hamdard University) 2D 3D TSV
24836068 19 Structural modifications of 4-aryl-4-oxo-2-aminylbutanamides and their acetyl- and butyrylcholinesterase inhibitory activity. Investigation of AChE-ligand interactions by docking calculations and molecular dynamics simulations.EBI Eur J Med Chem 81: 158-75 (2014) Ratka Resanovica1 2D 3D TSV
24836064 7 Tamiphosphor monoesters as effective anti-influenza agents.EBI Eur J Med Chem 81: 106-18 (2014) National Taiwan University 2D 3D TSV
24835985 46 Discovery of 3-aryl-3-ethoxypropanoic acids as orally active GPR40 agonists.EBI Bioorg Med Chem Lett 24: 2949-53 (2014) Daiichi Sankyo Co., Ltd 2D 3D TSV
24835984 59 Structure-assisted discovery of the first non-retinoid ligands for Retinol-Binding Protein 4.EBI Bioorg Med Chem Lett 24: 2885-91 (2014) Amgen Inc 2D 3D TSV
24835983 38 Optimization of ketone-based P2Y(12) receptor antagonists as antithrombotic agents: pharmacodynamics and receptor kinetics considerations.EBI Bioorg Med Chem Lett 24: 2963-8 (2014) AstraZeneca 2D 3D TSV
24835980 98 Discovery of TD-4306, a long-actingß2-agonist for the treatment of asthma and COPD.EBI Bioorg Med Chem Lett 24: 2871-6 (2014) Theravance, Inc. 2D 3D TSV
24835788 28 Preparation, anticholinesterase activity and molecular docking of new lupane derivatives.EBI Bioorg Med Chem 22: 3341-50 (2014) Universidad Nacional del Sur 2D 3D TSV
24835202 68 Discovery of a 4-aryloxy-1H-pyrrolo[3,2-c]pyridine and a 1-aryloxyisoquinoline series of TRPA1 antagonists.EBI Bioorg Med Chem Lett 24: 3199-203 (2014) AstraZeneca 2D 3D TSV
24835200 18 Design and synthesis of quinolinopropellane derivatives with selectived opioid receptor agonism.EBI Bioorg Med Chem Lett 24: 2851-4 (2014) University of Tsukuba 2D 3D TSV
24835199 31 Design and synthesis of phenylisoxazole derivatives as novel human acrosin inhibitors.EBI Bioorg Med Chem Lett 24: 2802-6 (2014) Second Military Medical University 2D 3D TSV
24835197 13 ß-Secretase (BACE1)-inhibiting C-methylrotenoids from Abronia nana suspension cultures.EBI Bioorg Med Chem Lett 24: 2945-8 (2014) Kyungpook National University 2D 3D TSV
24831826 59 Small molecule inhibitors targeting activator protein 1 (AP-1).EBI J Med Chem 57: 6930-48 (2014) University of Texas Medical Branch 2D 3D TSV
24831693 116 Functionally selective dopamine D2, D3 receptor partial agonists.EBI J Med Chem 57: 4861-75 (2014) Friedrich-Alexander University 2D 3D TSV
24831536 2 From chemical tools to clinical medicines: nonimmunosuppressive cyclophilin inhibitors derived from the cyclosporin and sanglifehrin scaffolds.EBI J Med Chem 57: 7145-59 (2014) Novartis Institutes for BioMedical Research 2D 3D TSV
24831513 35 Functionalization of ß-Caryophyllene Generates Novel Polypharmacology in the Endocannabinoid System.BDB ACS Chem Biol 9: 1499-507 (2014) University of Bern , Bühlstrasse 28, CH-3012 Bern, Switzerland. 2D 3D TSV
24831010 11 ORA1, a zebrafish olfactory receptor ancestral to all mammalian V1R genes, recognizes 4-hydroxyphenylacetic acid, a putative reproductive pheromone.BDB J Biol Chem 289: 19778-88 (2014) German Institute of Human Nutrition Potsdam-Rehbruecke 2D 3D TSV
24828006 4 Bazedoxifene-scaffold-based mimetics of solomonsterols A and B as novel pregnane X receptor antagonists.EBI J Med Chem 57: 4819-33 (2014) University of Ljubljana 2D 3D TSV
24827861 27 Synthesis of rigidified eIF4E/eIF4G inhibitor-1 (4EGI-1) mimetic and their in vitro characterization as inhibitors of protein-protein interaction.EBI J Med Chem 57: 5094-111 (2014) Harvard Medical School 2D 3D TSV
24827597 38 Structure-activity relationships of privileged structures lead to the discovery of novel biased ligands at the dopamine D2 receptor.EBI J Med Chem 57: 4924-39 (2014) Monash University 2D 3D TSV
24825301 34 Solving time-dependent CYP3A4 inhibition for a series of indole-phenylacetic acid dual antagonists of the PGD(2) receptors CRTH2 and DP.EBI Bioorg Med Chem Lett 24: 2877-80 (2014) Amgen Inc 2D 3D TSV
24824984 55 Identification of Inhibitors of PvdQ, an Enzyme Involved in the Synthesis of the Siderophore Pyoverdine.BDB ACS Chem Biol 9: 1536-44 (2014) The Broad Institute , Cambridge, Massachusetts 02142, United States 2D 3D TSV
24824658 8 Structure-activity relationship studies of N-methylated and N-hydroxylated spider polyamine toxins as inhibitors of ionotropic glutamate receptors.EBI J Med Chem 57: 4940-9 (2014) University of Copenhagen 2D 3D TSV
24824064 48 Discovery of 1-aryloxyethyl piperazine derivatives as Kv1.5 potassium channel inhibitors (part I).EBI Eur J Med Chem 81: 89-94 (2014) China Pharmaceutical University 2D 3D TSV
24821398 42 Synthesis and structure-activity relationship studies of conformationally flexible tetrahydroisoquinolinyl triazole carboxamide and triazole substituted benzamide analogues ass2 receptor ligands.EBI J Med Chem 57: 4239-51 (2014) Washington University 2D 3D TSV
24821376 2 Farnesyltransferase inhibitors: CAAX mimetics based on different biaryl scaffolds.EBI Bioorg Med Chem Lett 24: 2924-7 (2014) Universit£ di Milano 2D 3D TSV
24821375 5 The dipeptide H-Trp-Glu-OH (WE) shows agonistic activity to peroxisome proliferator-activated protein-a and reduces hepatic lipid accumulation in lipid-loaded H4IIE cells.EBI Bioorg Med Chem Lett 24: 2957-62 (2014) Korea University 2D 3D TSV
24819955 36 Identification of a neuroprotective and selective butyrylcholinesterase inhibitor derived from the natural alkaloid evodiamine.EBI Eur J Med Chem 81: 15-21 (2014) University of W£rzburg 2D 3D TSV
24819954 16 Structure-activity relationships and molecular modelling of new 5-arylidene-4-thiazolidinone derivatives as aldose reductase inhibitors and potential anti-inflammatory agents.EBI Eur J Med Chem 81: 1-14 (2014) University of Messina 2D 3D TSV
24819116 135 Discovery of (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a macrocyclic inhibitor of anaplastic lymphoma kinase (ALK) and c-ros oncogene 1 (ROS1) with preclinical brain expoEBI J Med Chem 57: 4720-44 (2014) Pfizer Inc 2D 3D TSV
24818857 3 Structural insights into the molecular mechanism of vitamin D receptor activation by lithocholic acid involving a new mode of ligand recognition.EBI J Med Chem 57: 4710-9 (2014) Institute of Genetics and Molecular and Cellular Biology (IGBMC) 2D 3D TSV
24816066 12 Synthesis, biological evaluation and molecular docking studies of trans-indole-3-acrylamide derivatives, a new class of tubulin polymerization inhibitors.EBI Bioorg Med Chem 22: 3096-104 (2014) Gazi University 2D 3D TSV
24815510 8 Synthesis of 2'-O,4'-C-alkylene-bridged ribonucleosides and their evaluation as inhibitors of HCV NS5B polymerase.EBI Bioorg Med Chem Lett 24: 2699-702 (2014) Idenix Pharmaceuticals 2D 3D TSV
24815509 51 Discovery of camphor-derived pyrazolones as 11ß-hydroxysteroid dehydrogenase type 1 inhibitors.EBI Bioorg Med Chem Lett 24: 2707-11 (2014) Hoffmann-La Roche Inc 2D 3D TSV
24815508 29 Synthesis of isoquinolinone-based tricycles as novel poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors.EBI Bioorg Med Chem Lett 24: 2669-73 (2014) Chinese Academy of Sciences 2D 3D TSV
24815000 21 8-Substituted 2-alkynyl-N(9)-propargyladenines as A2A adenosine receptor antagonists.EBI Bioorg Med Chem 22: 3072-82 (2014) Yamasa Corporation 2D 3D TSV
24814885 5 Development of a new class of proteasome inhibitors with an epoxyketone warhead: Rational hybridization of non-peptidic belactosin derivatives and peptide epoxyketones.EBI Bioorg Med Chem 22: 3091-5 (2014) Hokkaido University 2D 3D TSV
24814197 63 Discovery of novel 2-((pyridin-3-yloxy)methyl)piperazines asa7 nicotinic acetylcholine receptor modulators for the treatment of inflammatory disorders.EBI J Med Chem 57: 3966-83 (2014) Critical Therapeutics, Inc. 2D 3D TSV
24813882 41 Donepezil + propargylamine + 8-hydroxyquinoline hybrids as new multifunctional metal-chelators, ChE and MAO inhibitors for the potential treatment of Alzheimer's disease.EBI Eur J Med Chem 80: 543-61 (2014) Okayama University 2D 3D TSV
24813742 98 Dual carbonic anhydrase/matrix metalloproteinase inhibitors incorporating bisphosphonic acid moieties targeting bone tumors.EBI Bioorg Med Chem Lett 24: 2617-20 (2014) Universit£ degli Studi 2D 3D TSV
24813741 110 Multivalent design of long-actingß(2)-adrenoceptor agonists incorporating biarylamines.EBI Bioorg Med Chem Lett 24: 2625-30 (2014) Theravance, Inc. 2D 3D TSV
24813737 107 Discovery of 5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine inhibitors of Erk2.EBI Bioorg Med Chem Lett 24: 2635-9 (2014) Array BioPharma Inc 2D 3D TSV
24813735 17 Discovery of 1-arylpyrrolidone derivatives as potent p53-MDM2 inhibitors based on molecule fusing strategy.EBI Bioorg Med Chem Lett 24: 2648-50 (2014) Second Military Medical University 2D 3D TSV
24813734 44 Adenosine analogue inhibitors of S-adenosylhomocysteine hydrolase.EBI Bioorg Med Chem Lett 24: 2737-40 (2014) Merck Research Laboratories 2D 3D TSV
24813730 20 Discovery of thienopyrimidine-based FLT3 inhibitors from the structural modification of known IKKß inhibitors.EBI Bioorg Med Chem Lett 24: 2655-60 (2014) Yonsei University 2D 3D TSV
24811300 20 Biased and unbiased strategies to identify biologically active small molecules.EBI Bioorg Med Chem 22: 4474-89 (2014) Institut de Chimie des Substances Naturelles 2D 3D TSV
24809953 28 Novel N-linked aminopiperidine-based gyrase inhibitors with improved hERG and in vivo efficacy against Mycobacterium tuberculosis.EBI J Med Chem 57: 4889-905 (2014) AstraZeneca 2D 3D TSV
24809814 25 Orally active 7-substituted (4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]nicotinonitriles as active-site inhibitors of sphingosine 1-phosphate lyase for the treatment of multiple sclerosis.EBI J Med Chem 57: 5074-84 (2014) Novartis Institutes for BioMedical Research 2D 3D TSV
24805946 25 Establishment of a structure-activity relationship of 1H-imidazo[4,5-c]quinoline-based kinase inhibitor NVP-BEZ235 as a lead for African sleeping sickness.EBI J Med Chem 57: 4834-48 (2014) Northeastern University 2D 3D TSV
24805199 10 Influence of the length and positioning of the antiestrogenic side chain of endoxifen and 4-hydroxytamoxifen on gene activation and growth of estrogen receptor positive cancer cells.EBI J Med Chem 57: 4569-83 (2014) Georgetown University 2D 3D TSV
24805037 380 Novel arylsulfonamide derivatives with 5-HT6/5-HT7 receptor antagonism targeting behavioral and psychological symptoms of dementia.EBI J Med Chem 57: 4543-57 (2014) Adamed Ltd. 2D 3D TSV
24803362 12 Concise synthesis of C-1-cyano-iminosugars via a new Staudinger/aza Wittig/Strecker multicomponent reaction strategy.EBI Bioorg Med Chem Lett 24: 2777-80 (2014) Technical University Graz 2D 3D TSV
24803299 10 Arylazopyrazole AAP1742 inhibits CDKs and induces apoptosis in multiple myeloma cells via Mcl-1 downregulation.BDB Chem Biol Drug Des 84: 402-8 (2014) Institute of Experimental Botany ASCR and Palacky University 2D 3D TSV
24801997 30 Fluorine modulates species selectivity in the triazolopyrimidine class of Plasmodium falciparum dihydroorotate dehydrogenase inhibitors.EBI J Med Chem 57: 5381-94 (2014) University of Texas at Dallas 2D 3D TSV
24801610 52 Discovery of biarylaminoquinazolines as novel tubulin polymerization inhibitors.EBI J Med Chem 57: 4598-605 (2014) Universit£ degli Studi di Padova 2D 3D TSV
24801499 31 Methyl substitution of a rexinoid agonist improves potency and reveals site of lipid toxicity.EBI J Med Chem 57: 5370-80 (2014) University of Alabama at Birmingham 2D 3D TSV
24800942 10 Design, synthesis, and biological evaluation of O-2-modified indenoisoquinolines as dual topoisomerase I-tyrosyl-DNA phosphodiesterase I inhibitors.EBI J Med Chem 57: 4324-36 (2014) Purdue University 2D 3D TSV
24800940 146 Identification of a new selective dopamine D4 receptor ligand.EBI Bioorg Med Chem 22: 3105-14 (2014) Florida A&M University 2D 3D TSV
24799995 54 Development of novel Vitamin D Receptor-Coactivator Inhibitors.EBI ACS Med Chem Lett 5: 199-204 (2014) University of Wisconsin-Milwaukee 2D 3D TSV
24799086 74 Human drug-induced liver injury severity is highly associated with dual inhibition of liver mitochondrial function and bile salt export pump.EBI Hepatology 60: 1015-22 (2014) Pfizer Inc 2D 3D TSV
24798337 5 Human UTY(KDM6C) is a male-specific N¿-methyl lysyl demethylase.BDB J Biol Chem 289: 18302-13 (2014) University of Oxford 2D 3D TSV
24798019 30 Acridone alkaloids from Glycosmis chlorosperma as DYRK1A inhibitors.EBI J Nat Prod 77: 1117-22 (2014) Institut de Chimie des Substances Naturelles 2D 3D TSV
24797717 40 Synthesis and evaluation of novel marine bromopyrrole alkaloid-based derivatives as potential antidepressant agents.BDB Chem Biol Drug Des 84: 593-602 (2014) University of KwaZulu-Natal 2D 3D TSV
24797455 5 Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.BDB Chembiochem 15: 1121-30 (2014) Genentech Inc 2D 3D TSV
24794772 3 Exploration of the dihydropyrimidine scaffold for the development of new potential anti-inflammatory agents blocking prostaglandin E2 synthase-1 enzyme (mPGES-1).EBI Eur J Med Chem 80: 407-15 (2014) University of Salerno 2D 3D TSV
24794747 36 Novel aromatic-polyamine conjugates as cholinesterase inhibitors with notable selectivity toward butyrylcholinesterase.EBI Bioorg Med Chem 22: 3213-9 (2014) Henan University 2D 3D TSV
24794746 168 Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.EBI Bioorg Med Chem 22: 3187-203 (2014) Aurigene Discovery Technologies Limited 2D 3D TSV
24794745 20 Synthesis, biological, and biophysical studies of DAG-indololactones designed as selective activators of RasGRP.EBI Bioorg Med Chem 22: 3123-40 (2014) National Institute of Industrial Technology 2D 3D TSV
24794744 54 Optimization of diaryl amine derivatives as kinesin spindle protein inhibitors.EBI Bioorg Med Chem 22: 3171-9 (2014) Kyoto University 2D 3D TSV
24794743 85 Design and discovery of flavonoid-based HIV-1 integrase inhibitors targeting both the active site and the interaction with LEDGF/p75.EBI Bioorg Med Chem 22: 3146-58 (2014) South China Normal University 2D 3D TSV
24794112 50 Synthesis and SAR of substituted pyrazolo[1,5-a]quinazolines as dual mGlu(2)/mGlu(3) NAMs.EBI Bioorg Med Chem Lett 24: 2693-8 (2014) Vanderbilt University Medical Center 2D 3D TSV
24794110 36 a-Methylated simplified resiniferatoxin (sRTX) thiourea analogues as potent and stereospecific TRPV1 antagonists.EBI Bioorg Med Chem Lett 24: 2685-8 (2014) Seoul National University 2D 3D TSV
24794108 15 Synthesis of 5-methyl phenanthridium derivatives: a new class of human DOPA decarboxylase inhibitors.EBI Bioorg Med Chem Lett 24: 2712-6 (2014) Hunan Agricultural University 2D 3D TSV
24794107 32 Benzo[d]isothiazole 1,1-dioxide derivatives as dual functional inhibitors of 5-lipoxygenase and microsomal prostaglandin E(2) synthase-1.EBI Bioorg Med Chem Lett 24: 2764-7 (2014) Peking University 2D 3D TSV
24794105 38 a-Tetralone derivatives as inhibitors of monoamine oxidase.EBI Bioorg Med Chem Lett 24: 2758-63 (2014) North-West University 2D 3D TSV
24794104 6 Serendipitous oxidation product of BIBN4096BS: a potent CGRP receptor antagonist.EBI Bioorg Med Chem Lett 24: 2744-8 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24794103 1 Identification of 2,3-disubstituted pyridines as potent, non-emetic PDE4 inhibitors.EBI Bioorg Med Chem Lett 24: 2689-92 (2014) Dainippon Sumitomo Pharma Co., Ltd. 2D 3D TSV
24793885 11 Structure-activity relationships studies of quinoxalinone derivatives as aldose reductase inhibitors.EBI Eur J Med Chem 80: 383-92 (2014) Beijing Institute of Technology 2D 3D TSV
24793884 151 Synthesis and structure-activity relationship of trisubstituted thiazoles as Cdc7 kinase inhibitors.EBI Eur J Med Chem 80: 364-82 (2014) Amgen Inc 2D 3D TSV
24793878 25 New 2H-chromene-3-carboxamide derivatives: design, synthesis and use as inhibitors of hMAO.EBI Eur J Med Chem 80: 278-84 (2014) Anhui Medical University 2D 3D TSV
24793360 29 Investigation of a novel series of 2-hydroxyisoquinoline-1,3(2H,4H)-diones as human immunodeficiency virus type 1 integrase inhibitors.EBI J Med Chem 57: 4640-60 (2014) University of Lille 2D 3D TSV
24792813 80 Sulfonamide inhibition studies of twoß-carbonic anhydrases from the bacterial pathogen Legionella pneumophila.EBI Bioorg Med Chem 22: 2939-46 (2014) Kochi Medical School 2D 3D TSV
24792812 2 Anti-inflammatory drimane sesquiterpene lactones from an Aspergillus species.EBI Bioorg Med Chem 22: 2912-8 (2014) Institute of Biotechnology and Drug Research (IBWF) 2D 3D TSV
24792811 19 Synthesis, biological evaluation, and molecular docking studies of novel 2-styryl-5-nitroimidazole derivatives containing 1,4-benzodioxan moiety as FAK inhibitors with anticancer activity.EBI Bioorg Med Chem 22: 2947-54 (2014) Nanjing University 2D 3D TSV
24792774 24 Discovery of novel type II c-Met inhibitors based on BMS-777607.EBI Eur J Med Chem 80: 254-66 (2014) Fudan University 2D 3D TSV
24786728 1 Griseorhodins D-F, neuroactive intermediates and end products of post-PKS tailoring modification in Griseorhodin biosynthesis.EBI J. Nat. Prod. 77: 1224-30 (2014) University of Utah 2D 3D TSV
24786585 200 Discovery of N-((4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl)methyl)-2-fluoroaniline (EW-7197): a highly potent, selective, and orally bioavailable inhibitor of TGF-ß type I receptor kinase as cancer immunotherapeutic/antifibrotic agent.EBI J Med Chem 57: 4213-38 (2014) Ewha Womans University 2D 3D TSV
24786387 58 Synthesis and biological evaluation of a unique heparin mimetic hexasaccharide for structure-activity relationship studies.EBI J Med Chem 57: 4511-20 (2014) Momenta Pharmaceuticals Inc. 2D 3D TSV
24785705 12 Discovery of novel and selective SIRT6 inhibitors.EBI J Med Chem 57: 4796-804 (2014) University of Bologna 2D 3D TSV
24785465 80 Discovery of novel 2,4-diarylaminopyrimidine analogues (DAAPalogues) showing potent inhibitory activities against both wild-type and mutant ALK kinases.EBI J Med Chem 58: 197-211 (2015) Chinese Academy of Sciences 2D 3D TSV
24785301 83 Efficacious inhaled PDE4 inhibitors with low emetic potential and long duration of action for the treatment of COPD.EBI J Med Chem 57: 4661-76 (2014) AstraZeneca 2D 3D TSV
24783948 14 Molecular Basis of 1-Deoxygalactonojirimycin Arylthiourea Binding to Human a-Galactosidase A: Pharmacological Chaperoning Efficacy on Fabry Disease Mutants.BDB ACS Chem Biol 9: 1460-9 (2014) Tottori University , Yonago 683-8503, Japan 2D 3D TSV
24782313 10 In vitro resistance selections for Plasmodium falciparum dihydroorotate dehydrogenase inhibitors give mutants with multiple point mutations in the drug-binding site and altered growth.BDB J Biol Chem 289: 17980-95 (2014) Harvard School of Public Health 2D 3D TSV
24780600 53 Dual inhibition of thea-glucosidase and butyrylcholinesterase studied by molecular field topology analysis.EBI Eur J Med Chem 80: 228-42 (2014) University of Florida 2D 3D TSV
24780598 7 Synthesis and biological evaluation of some new pyrazoline substituted benzenesulfonylurea/thiourea derivatives as anti-hyperglycaemic agents and aldose reductase inhibitors.EBI Eur J Med Chem 80: 209-17 (2014) Jamia Hamdard (Hamdard University) 2D 3D TSV
24780593 46 Design and synthesis of novel 2-phenyl-5-(1,3-diphenyl-1H-pyrazol-4-yl)-1,3,4-oxadiazoles as selective COX-2 inhibitors with potent anti-inflammatory activity.EBI Eur J Med Chem 80: 167-74 (2014) Shoolini University 2D 3D TSV
24780592 2 Design, synthesis, and biological evaluation of novel FAK scaffold inhibitors targeting the FAK-VEGFR3 protein-protein interaction.EBI Eur J Med Chem 80: 154-66 (2014) Roswell Park Cancer Institute 2D 3D TSV
24780121 19 Synthesis, characterization, and PK/PD studies of a series of spirocyclic pyranochromene BACE1 inhibitors.EBI Bioorg Med Chem Lett 24: 2477-80 (2014) Genentech Inc 2D 3D TSV
24779610 33 Shuttle-cargo fusion molecules of transport peptides and the hD2/3 receptor antagonist fallypride: a feasible approach to preserve ligand-receptor binding?EBI J Med Chem 57: 4368-81 (2014) McGill University 2D 3D TSV
24779514 128 Discovery of GS-9973, a selective and orally efficacious inhibitor of spleen tyrosine kinase.EBI J Med Chem 57: 3856-73 (2014) Gilead Sciences Inc 2D 3D TSV
24775917 59 Identification of trisubstituted-pyrazol carboxamide analogs as novel and potent antagonists of farnesoid X receptor.EBI Bioorg Med Chem 22: 2919-38 (2014) Beckman Research Institute 2D 3D TSV
24775307 42 Highly-selective 4-(1,2,3-triazole)-based P450c17a 17,20-lyase inhibitors.EBI Bioorg Med Chem Lett 24: 2444-7 (2014) Viamet Pharmaceuticals Inc 2D 3D TSV
24775305 30 P3 SAR exploration of biphenyl carbamate based Legumain inhibitors.EBI Bioorg Med Chem Lett 24: 2521-4 (2014) Queen's University Belfast 2D 3D TSV
24775304 36 Pim kinase inhibitory and antiproliferative activity of a novel series of meridianin C derivatives.EBI Bioorg Med Chem Lett 24: 2424-8 (2014) Keimyung University 2D 3D TSV
24773565 24 Combination of triple bond and adamantane ring on the vitamin D side chain produced partial agonists for vitamin D receptor.EBI J Med Chem 57: 4073-87 (2014) Rikkyo University 2D 3D TSV
24773549 20 Discovery of 4-aryl-N-arylcarbonyl-2-aminothiazoles as Hec1/Nek2 inhibitors. Part I: optimization of in vitro potencies and pharmacokinetic properties.EBI J Med Chem 57: 4098-110 (2014) Development Center for Biotechnology 2D 3D TSV
24773054 11 Design and synthesis of human ABCB1 (P-glycoprotein) inhibitors by peptide coupling of diverse chemical scaffolds on carboxyl and amino termini of (S)-valine-derived thiazole amino acid.EBI J Med Chem 57: 4058-72 (2014) St. John's University 2D 3D TSV
24769348 63 New indolylarylsulfones as highly potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors.EBI Eur J Med Chem 80: 101-11 (2014) Sapienza University of Rome 2D 3D TSV
24767852 5 Bis-aryloxadiazoles as effective activators of the aryl hydrocarbon receptor.EBI Bioorg Med Chem Lett 24: 2473-6 (2014) University of Utah 2D 3D TSV
24767850 8 Biological evaluation of tanshindiols as EZH2 histone methyltransferase inhibitors.EBI Bioorg Med Chem Lett 24: 2486-92 (2014) Korea Research Institute of Chemical Technology 2D 3D TSV
24767849 2 Design, synthesis and biological evaluation of Pontin ATPase inhibitors through a molecular docking approach.EBI Bioorg Med Chem Lett 24: 2512-6 (2014) University of Bordeaux 2D 3D TSV
24767848 2 Discovery of the first potent and selective Mycobacterium tuberculosis Zmp1 inhibitor.EBI Bioorg Med Chem Lett 24: 2508-11 (2014) University of Siena 2D 3D TSV
24767846 37 Design and synthesis of highly potent HIV-1 protease inhibitors with novel isosorbide-derived P2 ligands.EBI Bioorg Med Chem Lett 24: 2465-8 (2014) Shandong University 2D 3D TSV
24767843 40 2-Amino-1,3,4-thiadiazoles in the 7-hydroxy-N-neopentyl spiropiperidine indolinyl series as potent P2Y1 receptor antagonists.EBI Bioorg Med Chem Lett 24: 2481-5 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24767842 29 Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.EBI Bioorg Med Chem Lett 24: 2448-52 (2014) Genentech Inc 2D 3D TSV
24767840 2 Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking.EBI Bioorg Med Chem Lett 24: 2493-6 (2014) University of Zurich 2D 3D TSV
24767818 13 Design, synthesis and biological evaluation of novel tripeptidyl epoxyketone derivatives constructed fromß-amino acid as proteasome inhibitors.EBI Bioorg Med Chem 22: 2955-65 (2014) Zhejiang University 2D 3D TSV
24766560 16 Azaindolylsulfonamides, with a more selective inhibitory effect on histone deacetylase 6 activity, exhibit antitumor activity in colorectal cancer HCT116 cells.EBI J Med Chem 57: 4009-22 (2014) Taipei Medical University 2D 3D TSV
24763362 22 Synthesis, biological evaluation, molecular docking and theoretical evaluation of ADMET properties of nepodin and chrysophanol derivatives as potential cyclooxygenase (COX-1, COX-2) inhibitors.EBI Eur J Med Chem 80: 47-56 (2014) National Institute of Pharmaceutical Education and Research 2D 3D TSV
24763360 46 Towards the development of 5-HT7 ligands combining serotonin-like and arylpiperazine moieties.EBI Eur J Med Chem 80: 8-35 (2014) Universit£ degli Studi di Urbino 2D 3D TSV
24763264 7 Synthesis and biological evaluation of novel (123)I-labeled 4-(4-iodophenyl)butanoyl-L-prolyl-(2S)-pyrrolidines for imaging prolyl oligopeptidase in vivo.EBI Eur J Med Chem 79: 436-45 (2014) University of Helsinki 2D 3D TSV
24763262 8 4-Oxo-1,4-dihydro-quinoline-3-carboxamides as BACE-1 inhibitors: synthesis, biological evaluation and docking studies.EBI Eur J Med Chem 79: 413-21 (2014) Peking University Health Science Center 2D 3D TSV
24763261 35 Identification and optimization of novel Hsp90 inhibitors with tetrahydropyrido[4,3-d]pyrimidines core through shape-based screening.EBI Eur J Med Chem 79: 399-412 (2014) China Pharmaceutical University 2D 3D TSV
24761755 76 Selectively promiscuous opioid ligands: discovery of high affinity/low efficacy opioid ligands with substantial nociceptin opioid peptide receptor affinity.EBI J Med Chem 57: 4049-57 (2014) University of Bath 2D 3D TSV
24758871 61 Structure-activity relationships and colorimetric properties of specific probes for the putative cancer biomarker human arylamine N-acetyltransferase 1.EBI Bioorg Med Chem 22: 3030-54 (2014) University of Oxford 2D 3D TSV
24758746 36 Discovery of a potent, selective, and orally active phosphodiesterase 10A inhibitor for the potential treatment of schizophrenia.EBI J Med Chem 57: 4196-212 (2014) Janssen Pharmaceutica NV 2D 3D TSV
24758147 31 Nitric oxide synthase inhibitors that interact with both heme propionate and tetrahydrobiopterin show high isoform selectivity.EBI J Med Chem 57: 4382-96 (2014) Northwestern University 2D 3D TSV
24755525 33 Identifying structural determinants of potency for analogs of apelin-13: integration of C-terminal truncation with structure-activity.EBI Bioorg Med Chem 22: 2992-7 (2014) RTI International 2D 3D TSV
24755524 60 Design, synthesis and preliminary evaluation ofa-sulfonyl¿-(glycinyl-amino)proline peptidomimetics as matrix metalloproteinase inhibitors.EBI Bioorg Med Chem 22: 3055-64 (2014) Shandong University 2D 3D TSV
24755431 59 The discovery of diazepinone-based 5-HT3 receptor partial agonists.EBI Bioorg Med Chem Lett 24: 2578-81 (2014) AMRI 2D 3D TSV
24755427 107 The discovery of potent and selective non-steroidal glucocorticoid receptor modulators, suitable for inhalation.EBI Bioorg Med Chem Lett 24: 2571-7 (2014) AstraZeneca 2D 3D TSV
24755426 38 Structure-based design and synthesis of bicyclic fused-pyridines as MEK inhibitors.EBI Bioorg Med Chem Lett 24: 2555-9 (2014) Shanghai Hengrui Pharmaceutical Co., Ltd 2D 3D TSV
24755425 22 Synthesis and structure-activity relationship of dihydrobenzofuran derivatives as novel human GPR119 agonists.EBI Bioorg Med Chem Lett 24: 2539-45 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24755374 95 Inhibitors of the peptidoglycan biosynthesis enzymes MurA-F.BDB Bioorg Chem 55: 2-15 (2014) University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia 2D 3D TSV
24755226 6 Allosteric inhibitors of the Eya2 phosphatase are selective and inhibit Eya2-mediated cell migration.BDB J Biol Chem 289: 16349-61 (2014) University of Colorado School of Medicine 2D 3D TSV
24754677 76 Identification of type II and III DDR2 inhibitors.EBI J Med Chem 57: 4252-62 (2014) Technical University of Dortmund 2D 3D TSV
24754640 28 New 5-unsubstituted dihydropyridines with improved CaV1.3 selectivity as potential neuroprotective agents against ischemic injury.EBI J Med Chem 57: 4313-23 (2014) Universidad Complutense 2D 3D TSV
24754609 35 Structural basis for isoform selectivity in a class of benzothiazole inhibitors of phosphoinositide 3-kinase¿.EBI J Med Chem 58: 517-21 (2015) Vertex Pharmaceuticals Inc 2D 3D TSV
24753254 2 Functional rescue of Kallmann syndrome-associated prokineticin receptor 2 (PKR2) mutants deficient in trafficking.BDB J Biol Chem 289: 15518-26 (2014) Central South University 2D 3D TSV
24752625 25 Design and synthesis of paracaseolide A analogues as selective protein tyrosine phosphatase 1B inhibitors.BDB Org Biomol Chem 12: 3441-5 (2014) Lanzhou University 2D 3D TSV
24751552 20 Synthesis, pharmacological screening and in silico studies of new class of Diclofenac analogues as a promising anti-inflammatory agents.EBI Bioorg Med Chem 22: 2855-66 (2014) K.L.E.U's College of Pharmacy 2D 3D TSV
24751446 5 Cell permeable vanX inhibitors as vancomycin re-sensitizing agents.EBI Bioorg Med Chem Lett 24: 2535-8 (2014) University of Minnesota 2D 3D TSV
24751445 15 Hot spot-based design of small-molecule inhibitors for protein-protein interactions.EBI Bioorg Med Chem Lett 24: 2546-54 (2014) University of Utah 2D 3D TSV
24751443 52 Discovery of structurally novel, potent and orally efficacious GPR119 agonists.EBI Bioorg Med Chem Lett 24: 2383-7 (2014) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
24751441 18 Identification of a new series of potent diphenol HSP90 inhibitors by fragment merging and structure-based optimization.EBI Bioorg Med Chem Lett 24: 2525-9 (2014) Chinese Academy of Sciences 2D 3D TSV
24751440 1 Optimization of pancreatic lipase inhibition by Cudrania tricuspidata fruits using response surface methodology.EBI Bioorg Med Chem Lett 24: 2329-33 (2014) Chungbuk National University 2D 3D TSV
24751157 6 Design, Synthesis and Biological Evaluation of Peptidyl Epoxyketone Proteasome Inhibitors Composed of ??????-amino Acids.BDB Chem Biol Drug Des 84: 497-504 (2014) Zhejiang University 2D 3D TSV
24749893 123 3-Substituted-N-(4-hydroxynaphthalen-1-yl)arylsulfonamides as a novel class of selective Mcl-1 inhibitors: structure-based design, synthesis, SAR, and biological evaluation.EBI J Med Chem 57: 4111-33 (2014) University of Michigan Medical School 2D 3D TSV
24749861 39 Synthesis of novel tricyclic chromenone-based inhibitors of IRE-1 RNase activity.EBI J Med Chem 57: 4289-301 (2014) H. Lee Moffitt Cancer Center and Research Institute 2D 3D TSV
24746465 90 Carbonic anhydrase inhibitors. Inhibition of human cytosolic isoforms I and II with (reduced) Schiff's bases incorporating sulfonamide, carboxylate and carboxymethyl moieties.EBI Bioorg Med Chem 22: 2867-74 (2014) ENSCM/UMII/UMR-CNRS 5635 2D 3D TSV
24746464 29 Identification of the stereochemical requirements in the 4-aryl-2-cycloalkylidenhydrazinylthiazole scaffold for the design of selective human monoamine oxidase B inhibitors.EBI Bioorg Med Chem 22: 2887-95 (2014) Sapienza University of Rome 2D 3D TSV
24745969 36 Identification of the first potent, selective and bioavailable PPARa antagonist.EBI Bioorg Med Chem Lett 24: 2267-72 (2014) Inception Sciences 2D 3D TSV
24745967 19 Benzylpiperidine variations on histamine H3 receptor ligands for improved drug-likeness.EBI Bioorg Med Chem Lett 24: 2236-9 (2014) Johann Wolfgang Goethe University 2D 3D TSV
24745965 22 Towards the discovery of drug-like epigallocatechin gallate analogs as Hsp90 inhibitors.EBI Bioorg Med Chem Lett 24: 2263-6 (2014) Montclair State University 2D 3D TSV
24745964 20 Design, synthesis, docking and anti-inflammatory evaluation of novel series of benzofuran based prodrugs.EBI Bioorg Med Chem Lett 24: 2251-5 (2014) Banaras Hindu University 2D 3D TSV
24742681 4 Oxysterol-binding protein (OSBP)-related protein 4 (ORP4) is essential for cell proliferation and survival.BDB J Biol Chem 289: 15705-17 (2014) Dalhousie University 2D 3D TSV
24742680 14 Structural basis for the recognition of peptide RJPXD33 by acyltransferases in lipid A biosynthesis.BDB J Biol Chem 289: 15527-35 (2014) University of Michigan 2D 3D TSV
24742384 90 Influence of the adamantyl moiety on the activity of biphenylacrylohydroxamic acid-based HDAC inhibitors.EBI Eur J Med Chem 79: 251-9 (2014) Universit£ di Milano 2D 3D TSV
24742203 47 Second generation steroidal 4-aminoquinolines are potent, dual-target inhibitors of the botulinum neurotoxin serotype A metalloprotease and P. falciparum malaria.EBI J Med Chem 57: 4134-53 (2014) University of Belgrade 2D 3D TSV
24742174 11 A mixed population of antagonist and agonist binding conformers in a single crystal explains partial agonism against vitamin D receptor: active vitamin D analogues with 22R-alkyl group.EBI J Med Chem 57: 4351-67 (2014) Showa Pharmaceutical University 2D 3D TSV
24742150 101 Synthesis and evaluation of phosphorus containing, specific CDK9/CycT1 inhibitors.EBI J Med Chem 57: 3939-65 (2014) Vichem Chemie Ltd. 2D 3D TSV
24739388 14 Rational design of broad spectrum antibacterial activity based on a clinically relevant enoyl-acyl carrier protein (ACP) reductase inhibitor.BDB J Biol Chem 289: 15987-6005 (2014) University of Wuerzburg 2D 3D TSV
24738581 81 Identification of (R)-6-(1-(4-cyano-3-methylphenyl)-5-cyclopentyl-4,5-dihydro-1H-pyrazol-3-yl)-2-methoxynicotinic acid, a highly potent and selective nonsteroidal mineralocorticoid receptor antagonist.EBI J Med Chem 57: 4273-88 (2014) Pfizer Inc 2D 3D TSV
24738476 15 New melatonin-N,N-dibenzyl(N-methyl)amine hybrids: potent neurogenic agents with antioxidant, cholinergic, and neuroprotective properties as innovative drugs for Alzheimer's disease.EBI J Med Chem 57: 3773-85 (2014) Instituto de Qu£mica M£dica 2D 3D TSV
24737316 18 Structural basis of pharmacological chaperoning for human ß-galactosidase.BDB J Biol Chem 289: 14560-8 (2014) The University of Tokyo 2D 3D TSV
24736117 2 Elucidation of different inhibition mechanism of small chemicals on PtdInsP-binding domains using in silico docking experiments.EBI Bioorg Med Chem Lett 24: 2256-62 (2014) Sookmyung Women's University 2D 3D TSV
24735647 34 Synthesis and biological evaluation of a novel sigma-1 receptor antagonist based on 3,4-dihydro-2(1H)-quinolinone scaffold as a potential analgesic.EBI Eur J Med Chem 79: 216-30 (2014) Huazhong University of Science and Technology 2D 3D TSV
24735646 11 Synthesis and evaluation of cyclohexane carboxylic acid head group containing isoxazole and thiazole analogs as DGAT1 inhibitors.EBI Eur J Med Chem 79: 203-15 (2014) VIT University 2D 3D TSV
24735644 19 Imidazole-derived 2-[N-carbamoylmethyl-alkylamino]acetic acids, substrate-dependent modulators of insulin-degrading enzyme in amyloid-ß hydrolysis.EBI Eur J Med Chem 79: 184-93 (2014) University of Lille 2D 3D TSV
24735492 98 Design and synthesis of systemically active metabotropic glutamate subtype-2 and -3 (mGlu2/3) receptor positive allosteric modulators (PAMs): pharmacological characterization and assessment in a rat model of cocaine dependence.EBI J Med Chem 57: 4154-72 (2014) Sanford-Burnham Medical Research Institute 2D 3D TSV
24731541 1 The cannabinoid acids, analogs and endogenous counterparts.EBI Bioorg Med Chem 22: 2830-43 (2014) The University of Massachusetts Medical School 2D 3D TSV
24731281 10 Synthesis and biological evaluation of compounds which contain pyrazole, thiazole and naphthalene ring as antitumor agents.EBI Bioorg Med Chem Lett 24: 2324-8 (2014) Nanjing University 2D 3D TSV
24731278 22 Synthesis and in vitro evaluation of anti-inflammatory activity of ester and amine derivatives of indoline in RAW 264.7 and peritoneal macrophages.EBI Bioorg Med Chem Lett 24: 2283-7 (2014) Bar-Ilan University 2D 3D TSV
24731277 2 Small chemicals with inhibitory effects on PtdIns(3,4,5)P3 binding of Btk PH domain.EBI Bioorg Med Chem Lett 24: 2334-9 (2014) Konkuk University 2D 3D TSV
24731275 21 Design, syntheses, and characterization of piperazine based chemokine receptor CCR5 antagonists as anti prostate cancer agents.EBI Bioorg Med Chem Lett 24: 2319-23 (2014) Virginia Commonwealth University 2D 3D TSV
24729834 79 Trisubstituted Sulfonamides: a New Chemotype for Development of Potent and Selective CBEBI ACS Med Chem Lett 4: 387-392 (2013) University of Pittsburgh 2D 3D TSV
24727489 8 Pyrazole-5-carboxamides, novel inhibitors of receptor for advanced glycation end products (RAGE).EBI Eur J Med Chem 79: 128-42 (2014) Woosuk University 2D 3D TSV
24726809 72 Design, synthesis and biological evaluation of benzylisoquinoline derivatives as multifunctional agents against Alzheimer's disease.EBI Bioorg Med Chem Lett 24: 2368-73 (2014) China Pharmaceutical University 2D 3D TSV
24726807 30 Scaffold hopping approach to a new series of smoothened antagonists.EBI Bioorg Med Chem Lett 24: 2300-4 (2014) Soochow University 2D 3D TSV
24726806 108 Syk inhibitors with high potency in presence of blood.EBI Bioorg Med Chem Lett 24: 2278-82 (2014) Novartis Institutes for BioMedical Research 2D 3D TSV
24726306 11 Geranyl and neryl triazole bisphosphonates as inhibitors of geranylgeranyl diphosphate synthase.EBI Bioorg Med Chem 22: 2791-8 (2014) University of Iowa 2D 3D TSV
24726305 3 Preliminary investigations into triazole derived androgen receptor antagonists.EBI Bioorg Med Chem 22: 2692-706 (2014) Deakin University 2D 3D TSV
24725435 15 Design, synthesis and pharmacological evaluation of novel polycyclic heteroarene ethers as PDE10A inhibitors: Part I.EBI Bioorg Med Chem Lett 24: 2073-8 (2014) Glenmark Pharmaceuticals Ltd 2D 3D TSV
24721831 2 Radiosyntheses and in vivo evaluation of carbon-11 PET tracers for PDE10A in the brain of rodent and nonhuman primate.EBI Bioorg Med Chem 22: 2648-54 (2014) Washington University 2D 3D TSV
24721830 33 Synthesis and in vitro evaluation of bis-quaternary 2-(hydroxyimino)-N-(pyridin-3-yl)acetamide derivatives as reactivators against sarin and VX inhibited human acetylcholinesterase (hAChE).EBI Bioorg Med Chem 22: 2684-91 (2014) Defence Research & Development Establishment (DRDE) 2D 3D TSV
24721313 21 Synthesis and evaluation of several oleanolic acid glycoconjugates as protein tyrosine phosphatase 1B inhibitors.EBI Eur J Med Chem 79: 34-46 (2014) North-West University 2D 3D TSV
24720475 26 Synthesis, molecular docking, and biological evaluation of some novel hydrazones and pyrazole derivatives as anti-inflammatory agents.BDB Chem Biol Drug Des 84: 473-88 (2014) Cairo University 2D 3D TSV
24719329 3 Inhibition of the ribonuclease H activity of HIV-1 reverse transcriptase by GSK5750 correlates with slow enzyme-inhibitor dissociation.BDB J Biol Chem 289: 16270-7 (2014) McGill University 2D 3D TSV
24717153 46 Design of novel multiple-acting ligands towards SERT and 5-HT2C receptors.EBI Bioorg Med Chem Lett 24: 2118-22 (2014) Gedeon Richter Plc 2D 3D TSV
24713308 48 Pyrazolo[4,3-e][1,2,4]triazine sulfonamides as carbonic anhydrase inhibitors with antitumor activity.EBI Bioorg Med Chem 22: 2643-7 (2014) Siedlce University of Natural Sciences and Humanities 2D 3D TSV
24712915 14 Discovery of novel inhibitors targeting the macrophage migration inhibitory factor via structure-based virtual screening and bioassays.EBI J Med Chem 57: 3737-45 (2014) Zhejiang University 2D 3D TSV
24712832 66 4-Alkyloxyimino derivatives of uridine-5'-triphosphate: distal modification of potent agonists as a strategy for molecular probes of P2Y2, P2Y4, and P2Y6 receptors.EBI J Med Chem 57: 3874-83 (2014) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
24712764 6 Thienoquinolines as novel disruptors of the PKCe/RACK2 protein-protein interaction.EBI J Med Chem 57: 3235-46 (2014) Innsbruck Medical University 2D 3D TSV
24712661 47 Discovery of 2-[3,5-dichloro-4-(5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yloxy)phenyl]-3,5-dioxo-2,3,4,5-tetrahydro[1,2,4]triazine-6-carbonitrile (MGL-3196), a Highly Selective Thyroid Hormone Receptorß agonist in clinical trials for the treatment of dyslipidemia.EBI J Med Chem 57: 3912-23 (2014) Madrigal Pharmaceuticals Inc 2D 3D TSV
24709560 1 Discovery of two aminoglycoside antibiotics as inhibitors targeting the menin-mixed lineage leukaemia interface.EBI Bioorg Med Chem Lett 24: 2090-3 (2014) Fuzhou University 2D 3D TSV
24708493 50 Triaryl-substituted Schiff bases are high-affinity subtype-selective ligands for the estrogen receptor.EBI J Med Chem 57: 3532-45 (2014) Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) 2D 3D TSV
24707965 33 A Selective Phenelzine Analogue Inhibitor of Histone Demethylase LSD1.BDB ACS Chem Biol 9: 1284-93 (2014) Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States 2D 3D TSV
24707857 33 Nucleotide-binding oligomerization domain (NOD) inhibitors: a rational approach toward inhibition of NOD signaling pathway.EBI J Med Chem 57: 6897-918 (2014) University of Ljubljana 2D 3D TSV
24707807 9 Plasmodium falciparum UvrD activities are downregulated by DNA-interacting compounds and its dsRNA inhibits malaria parasite growth.BDB BMC Biochem 15: 9 (2014) International Centre for Genetic Engineering and Biotechnology 2D 3D TSV
24707347 57 Truncated Orexin Peptides: Structure-Activity Relationship Studies.EBI ACS Med Chem Lett 4: 1224-1227 (2013) Research Triangle Institute 2D 3D TSV
24704618 27 Design, synthesis and biological evaluation of novel tetrahydroacridine pyridine- aldoxime and -amidoxime hybrids as efficient uncharged reactivators of nerve agent-inhibited human acetylcholinesterase.EBI Eur J Med Chem 78: 455-67 (2014) University of Strasburg 2D 3D TSV
24704616 86 Discovery of 2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide derivatives as new ROR¿ inhibitors using virtual screening, synthesis and biological evaluation.EBI Eur J Med Chem 78: 431-41 (2014) Chinese Academy of Sciences 2D 3D TSV
24704612 23 Design, synthesis, acetylcholinesterase inhibition and larvicidal activity of girgensohnine analogs on Aedes aegypti, vector of dengue fever.EBI Eur J Med Chem 78: 392-400 (2014) Universidad Industrial de Santander 2D 3D TSV
24704197 32 4-([1,2,4]Triazolo[1,5-a]pyridin-6-yl)-5(3)-(6-methylpyridin-2-yl)imidazole and -pyrazole derivatives as potent and selective inhibitors of transforming growth factor-ß type I receptor kinase.EBI Bioorg Med Chem 22: 2724-32 (2014) Ewha Womans University 2D 3D TSV
24704031 69 The evolution of amidine-based brain penetrant BACE1 inhibitors.EBI Bioorg Med Chem Lett 24: 2033-45 (2014) Janssen Pharmaceutica NV 2D 3D TSV
24704030 64 Discovery of dual orexin receptor antagonists with rat sleep efficacy enabled by expansion of the acetonitrile-assisted/diphosgene-mediated 2,4-dichloropyrimidine synthesis.EBI Bioorg Med Chem Lett 24: 2079-85 (2014) Merck Research Laboratories 2D 3D TSV
24704029 14 Tetra-substituted imidazoles as a new class of inhibitors of the p53-MDM2 interaction.EBI Bioorg Med Chem Lett 24: 2110-4 (2014) Novartis Institutes for BioMedical Research 2D 3D TSV
24704027 31 Lactam and oxazolidinone derived potent 5-hydroxytryptamine 6 receptor antagonists.EBI Bioorg Med Chem Lett 24: 2094-7 (2014) Cephalon Inc 2D 3D TSV
24703463 6 Inhibitory effects of novel synthetic methimazole derivatives on mushroom tyrosinase and melanogenesis.EBI Bioorg Med Chem 22: 2809-15 (2014) Hungkuang University 2D 3D TSV
24703233 63 From virtual to clinical: The discovery of PGN-1531, a novel antagonist of the prostanoid EP4 receptor.EBI Bioorg Med Chem Lett 24: 2212-21 (2014) Argenta Discovery Ltd 2D 3D TSV
24702858 14 RE12 derivatives displaying Vaccinia H1-related phosphatase (VHR) inhibition in the presence of detergent and their anti-proliferative activity against HeLa cells.EBI Bioorg Med Chem 22: 2771-82 (2014) Japan Science and Technology Agency 2D 3D TSV
24702857 28 Search for novel histone deacetylase inhibitors. Part II: design and synthesis of novel isoferulic acid derivatives.EBI Bioorg Med Chem 22: 2707-13 (2014) Xi'an Jiaotong University 2D 3D TSV
24702856 84 Structure-activity relationship-guided development of retinoic acid receptor-related orphan receptor gamma (ROR¿)-selective inverse agonists with a phenanthridin-6(5H)-one skeleton from a liver X receptor ligand.EBI Bioorg Med Chem 22: 2799-808 (2014) The University of Tokyo 2D 3D TSV
24702184 5 Thermodynamic and structural characterization of halogen bonding in protein-ligand interactions: a case study of PDE5 and its inhibitors.EBI J Med Chem 57: 3588-93 (2014) Chinese Academy of Sciences (CAS) 2D 3D TSV
24697360 2 Biased ligand modulation of seven transmembrane receptors (7TMRs): functional implications for drug discovery.EBI J Med Chem 57: 6887-96 (2014) Merck Research Laboratories 2D 3D TSV
24697311 5 Novel derivatives of 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28) with improved fluorescent ands receptors binding properties.EBI J Med Chem 57: 3314-23 (2014) Universit£ degli Studi di Bari Aldo Moro 2D 3D TSV
24697290 6 Discovery of a neuroprotective chemical, (S)-N-(3-(3,6-dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(-)-P7C3-S243], with improved druglike properties.EBI J Med Chem 57: 3746-54 (2014) University of Texas Southwestern Medical Center 2D 3D TSV
24697269 18 Development of pyrazolone and isoxazol-5-one cambinol analogues as sirtuin inhibitors.EBI J Med Chem 57: 3283-94 (2014) Fred Hutchinson Cancer Research Center 2D 3D TSV
24697244 23 Indirubin core structure of glycogen synthase kinase-3 inhibitors as novel chemotype for intervention with 5-lipoxygenase.EBI J Med Chem 57: 3715-23 (2014) Friedrich-Schiller-University 2D 3D TSV
24695735 6 The Parkinson disease-linked LRRK2 protein mutation I2020T stabilizes an active state conformation leading to increased kinase activity.BDB J Biol Chem 289: 13042-53 (2014) Harvard NeuroDiscovery Center 2D 3D TSV
24694215 8 Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.EBI J Med Chem 57: 3845-55 (2014) Pfizer Inc 2D 3D TSV
24694071 11 New potent antibacterial oxazolidinone (MRX-I) with an improved class safety profile.EBI J Med Chem 57: 4487-97 (2014) MicuRx Pharmaceuticals Inc. 2D 3D TSV
24694055 35 Discovery of the first N-hydroxycinnamamide-based histone deacetylase 1/3 dual inhibitors with potent oral antitumor activity.EBI J Med Chem 57: 3324-41 (2014) Shandong University 2D 3D TSV
24692551 18 Structural basis for ligand regulation of the fatty acid-binding protein 5, peroxisome proliferator-activated receptor ß/d (FABP5-PPARß/d) signaling pathway.BDB J Biol Chem 289: 14941-54 (2014) Emory University 2D 3D TSV
24691057 62 SAR-studies on the importance of aromatic ring topologies in search for selective 5-HT(7) receptor ligands among phenylpiperazine hydantoin derivatives.EBI Eur J Med Chem 78: 324-39 (2014) Jagiellonian University Medical College 2D 3D TSV
24690529 43 a-Ketoheterocycle inhibitors of fatty acid amide hydrolase: exploration of conformational constraints in the acyl side chain.EBI Bioorg Med Chem 22: 2763-70 (2014) The Scripps Research Institute 2D 3D TSV
24690494 92 Antagonists of the kappa opioid receptor.EBI Bioorg Med Chem Lett 24: 2021-32 (2014) The Scripps Research Institute 2D 3D TSV
24689821 6 Exploring the water-binding pocket of the type II dehydroquinase enzyme in the structure-based design of inhibitors.EBI J Med Chem 57: 3494-510 (2014) Universidad de Santiago de Compostela 2D 3D TSV
24689792 54 Cyclic secondary sulfonamides: unusually good inhibitors of cancer-related carbonic anhydrase enzymes.EBI J Med Chem 57: 3522-31 (2014) Griffith University 2D 3D TSV
24689770 4 Optimization of an imidazopyridazine series of inhibitors of Plasmodium falciparum calcium-dependent protein kinase 1 (PfCDPK1).EBI J Med Chem 57: 3570-87 (2014) MRC Technology 2D 3D TSV
24686016 22 Discovery of mixed type thymidine phosphorylase inhibitors endowed with antiangiogenic properties: synthesis, pharmacological evaluation and molecular docking study of 2-thioxo-pyrazolo[1,5-a][1,3,5]triazin-4-ones. Part II.EBI Eur J Med Chem 78: 294-303 (2014) National University of Singapore 2D 3D TSV
24685544 75 Identification of tertiary sulfonamides as RORc inverse agonists.EBI Bioorg Med Chem Lett 24: 2182-7 (2014) Genentech 2D 3D TSV
24685543 23 Discovery of substituted benzamides as follicle stimulating hormone receptor allosteric modulators.EBI Bioorg Med Chem Lett 24: 2168-72 (2014) EMD-Serono Research Institute, Inc 2D 3D TSV
24685542 67 Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases.EBI Bioorg Med Chem Lett 24: 2206-11 (2014) Bristol-Myers Squibb Research and Development 2D 3D TSV
24685540 28 Symmetric adamantyl-diureas as soluble epoxide hydrolase inhibitors.EBI Bioorg Med Chem Lett 24: 2193-7 (2014) Volzhsky Polytechnic Institute (branch) Volgograd State Technical University 2D 3D TSV
24685539 44 The discovery and SAR of cyclopenta[b]furans as inhibitors of CCR2.EBI Bioorg Med Chem Lett 24: 2137-40 (2014) Janssen Research and Development LLC 2D 3D TSV
24685113 44 Development of 3,5-dinitrobenzoate-based 5-lipoxygenase inhibitors.EBI Bioorg Med Chem 22: 2396-402 (2014) Peking University 2D 3D TSV
24685112 13 Anthranilic acid derivatives as novel ligands for farnesoid X receptor (FXR).EBI Bioorg Med Chem 22: 2447-60 (2014) Goethe-University Frankfurt 2D 3D TSV
24684845 35 Synthesis and biological evaluation of novel bis-aromatic amides as novel PTP1B inhibitors.BDB Bioorg Med Chem Lett 24: 1889-94 (2014) Jiangnan University 2D 3D TSV
24684843 24 In vivo optimization of 2,3-diaminopyrazine Rho Kinase inhibitors for the treatment of glaucoma.EBI Bioorg Med Chem Lett 24: 1875-9 (2014) Alcon Laboratories Inc 2D 3D TSV
24684293 17 Diacylglycerol lactones targeting the structural features that distinguish the atypical C1 domains of protein kinase C¿ and¿ from typical C1 domains.EBI J Med Chem 57: 3835-44 (2014) National Cancer Institute-Bethesda 2D 3D TSV
24684270 34 Basic quinolinonyl diketo acid derivatives as inhibitors of HIV integrase and their activity against RNase H function of reverse transcriptase.EBI J Med Chem 57: 3223-34 (2014) Sapienza University of Rome 2D 3D TSV
24684213 56 Potent and selective inhibitors of human reticulocyte 12/15-lipoxygenase as anti-stroke therapies.EBI J Med Chem 57: 4035-48 (2014) Harvard Medical School 2D 3D TSV
24681986 42 Synthesis and kinase inhibitory activity of new sulfonamide derivatives of pyrazolo[4,3-e][1,2,4]triazines.EBI Eur J Med Chem 78: 217-24 (2014) Siedlce University of Natural Sciences and Humanities 2D 3D TSV
24681981 53 Synthesis, crystal structure and biological evaluation of some novel 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazoles and 1,2,4-triazolo[3,4-b]-1,3,4-thiadiazines.EBI Eur J Med Chem 78: 167-77 (2014) Quaid-i-Azam University 2D 3D TSV
24681980 3 Fluorinated benzophenone derivatives: balanced multipotent agents for Alzheimer's disease.EBI Eur J Med Chem 78: 157-66 (2014) University of Bologna 2D 3D TSV
24681391 14 New aminobenzenesulfonamide-thiourea conjugates: synthesis and carbonic anhydrase inhibition and docking studies.EBI Eur J Med Chem 78: 140-50 (2014) COMSATS Institute of Information Technology 2D 3D TSV
24681070 15 Novel structural hybrids of pyrazolobenzothiazines with benzimidazoles as cholinesterase inhibitors.EBI Eur J Med Chem 78: 106-17 (2014) Government College Women University 2D 3D TSV
24681066 35 Design, synthesis and bioevaluation of N-trisubstituted pyrimidine derivatives as potent aurora A kinase inhibitors.EBI Eur J Med Chem 78: 65-71 (2014) Sun Yat-sen University 2D 3D TSV
24680060 11 Effect of prime-site sequence of retro-inverso-modified HTLV-1 protease inhibitor.EBI Bioorg Med Chem 22: 2482-8 (2014) Kyoto Prefectural University of Medicine 2D 3D TSV
24680058 7 Structural modifications of CH(OH)-DAPYs as new HIV-1 non-nucleoside reverse transcriptase inhibitors.EBI Bioorg Med Chem 22: 2535-41 (2014) Fudan University 2D 3D TSV
24679441 16 Anti-inflammatory components of Euphorbia humifusa Willd.EBI Bioorg Med Chem Lett 24: 1895-900 (2014) Chungnam National University 2D 3D TSV
24678969 44 Discovery of a novel series of orally active nociceptin/orphanin FQ (NOP) receptor antagonists based on a dihydrospiro(piperidine-4,7'-thieno[2,3-c]pyran) scaffold.EBI J Med Chem 57: 3418-29 (2014) Eli Lilly and Company 2D 3D TSV
24678947 51 Identification and characterization of small molecule modulators of the Epstein-Barr virus-induced gene 2 (EBI2) receptor.EBI J Med Chem 57: 3358-68 (2014) Novartis Institutes for BioMedical Research 2D 3D TSV
24677340 20 Development of Selective Inhibitors for Human Aldehyde Dehydrogenase 3A1 (ALDH3A1) for the Enhancement of Cyclophosphamide Cytotoxicity.BDB Chembiochem 15: 701-712 (2014) Indiana University School of Medicine, 635 Barnhill Drive, Indianapolis, IN, 46202 (USA) 2D 3D TSV
24675381 47 Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase.EBI Bioorg Med Chem Lett 24: 1923-7 (2014) Array BioPharma, Inc. 2D 3D TSV
24675380 9 Identification of novel SIRT2-selective inhibitors using a click chemistry approach.EBI Bioorg Med Chem Lett 24: 1871-4 (2014) Nagoya City University 2D 3D TSV
24675378 33 Design, synthesis and biological evaluation of novel aminomethyl-piperidones based DPP-IV inhibitors.EBI Bioorg Med Chem Lett 24: 1918-22 (2014) M.S. University of Baroda 2D 3D TSV
24675179 26 Synthesis, cytotoxicity and molecular modelling studies of new phenylcinnamide derivatives as potent inhibitors of cholinesterases.EBI Eur J Med Chem 78: 43-53 (2014) Quaid-i-Azam University 2D 3D TSV
24675176 74 Solid-supported synthesis, molecular modeling, and biological activity of long-chain arylpiperazine derivatives with cyclic amino acid amide fragments as 5-HT(7) and 5-HT(1A) receptor ligands.EBI Eur J Med Chem 78: 10-22 (2014) Jagiellonian University Medical College 2D 3D TSV
24675175 5 Synthesis of substituted pyrimidines as corticotropin releasing factor (CRF) receptor ligands.EBI Eur J Med Chem 78: 1-9 (2014) South Dakota State University 2D 3D TSV
24675136 3 Structure-activity relationship study of 4EGI-1, small molecule eIF4E/eIF4G protein-protein interaction inhibitors.EBI Eur J Med Chem 77: 361-77 (2014) Harvard Medical School 2D 3D TSV
24675135 4 Design, synthesis and evaluation of novel diaryl urea derivatives as potential antitumor agents.EBI Eur J Med Chem 77: 351-60 (2014) Peking Union Medical College & Chinese Academy of Medical Sciences 2D 3D TSV
24674599 35 Identification of dipeptidyl peptidase IV inhibitors: virtual screening, synthesis and biological evaluation.BDB Chem Biol Drug Des 84: 364-77 (2014) China Pharmaceutical University 2D 3D TSV
24673130 27 Discovery of selective 4-Amino-pyridopyrimidine inhibitors of MAP4K4 using fragment-based lead identification and optimization.EBI J Med Chem 57: 3484-93 (2014) Genentech Inc 2D 3D TSV
24673104 185 Identification of novel HSP90a/ß isoform selective inhibitors using structure-based drug design. demonstration of potential utility in treating CNS disorders such as Huntington's disease.EBI J Med Chem 57: 3382-400 (2014) Vertex Pharmaceuticals Inc 2D 3D TSV
24670009 65 Discovery of 6-phenylpyrimido[4,5-b][1,4]oxazines as potent and selective acyl CoA:diacylglycerol acyltransferase 1 (DGAT1) inhibitors with in vivo efficacy in rodents.EBI J Med Chem 57: 3464-83 (2014) Amgen Inc 2D 3D TSV
24669958 39 Agonists for the adenosine A1 receptor with tunable residence time. A Case for nonribose 4-amino-6-aryl-5-cyano-2-thiopyrimidines.EBI J Med Chem 57: 3213-22 (2014) Leiden University 2D 3D TSV
24668804 7 Biochemical, cellular, and biophysical characterization of a potent inhibitor of mutant isocitrate dehydrogenase IDH1.BDB J Biol Chem 289: 13717-25 (2014) National Institutes of Health 2D 3D TSV
24666646 37 Thiophene carboxamide inhibitors of JAK2 as potential treatments for myleoproliferative neoplasms.EBI Bioorg Med Chem Lett 24: 1968-73 (2014) Merck & Co. 2D 3D TSV
24666203 124 Discovery of trifluoromethyl(pyrimidin-2-yl)azetidine-2-carboxamides as potent, orally bioavailable TGR5 (GPBAR1) agonists: structure-activity relationships, lead optimization, and chronic in vivo efficacy.EBI J Med Chem 57: 3263-82 (2014) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
24666186 15 Allosteric inhibition of human factor XIa: discovery of monosulfated benzofurans as a class of promising inhibitors.EBI J Med Chem 57: 3559-69 (2014) Virginia Commonwealth University 2D 3D TSV
24666157 30 Discovery, optimization, and characterization of novel D2 dopamine receptor selective antagonists.EBI J Med Chem 57: 3450-63 (2014) National Center for Advancing Translational Sciences 2D 3D TSV
24661847 8 Synthesis of thio-heterocyclic analogues from Baylis-Hillman bromides as potent cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem Lett 24: 1952-7 (2014) CSIR-Indian Institute of Chemical Technology 2D 3D TSV
24660890 12 Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes.EBI J Med Chem 57: 3205-12 (2014) Merck & Co. Inc 2D 3D TSV
24660812 4 Improved total synthesis and biological evaluation of potent apratoxin S4 based anticancer agents with differential stability and further enhanced activity.EBI J Med Chem 57: 3011-29 (2014) University of Florida 2D 3D TSV
24660051 24 An Accessible Chiral Linker to Enhance Potency and Selectivity of Neuronal Nitric Oxide Synthase Inhibitors.EBI ACS Med Chem Lett 5: 56-60 (2014) Northwestern University 2D 3D TSV
24657567 4 Antimitotic and vascular disrupting agents: 2-hydroxy-3,4,5-trimethoxybenzophenones.EBI Eur J Med Chem 77: 306-14 (2014) Taipei Medical University 2D 3D TSV
24657054 66 Designing bifunctional NOP receptor-mu opioid receptor ligands from NOP-receptor selective scaffolds. Part II.EBI Bioorg Med Chem 22: 2508-16 (2014) Astraea Therapeutics, LLC. 2D 3D TSV
24657053 8 Docking and SAR studies of calystegines: binding orientation and influence on pharmacological chaperone effects for Gaucher's disease.EBI Bioorg Med Chem 22: 2435-41 (2014) University of Toyama 2D 3D TSV
24657052 42 Quinolone-benzylpiperidine derivatives as novel acetylcholinesterase inhibitor and antioxidant hybrids for Alzheimer disease.EBI Bioorg Med Chem 22: 2496-507 (2014) Universit£ de Franche Comt£ 2D 3D TSV
24657049 5 Polyfluorinated bis-styrylbenzenes as amyloid-ß plaque binding ligands.EBI Bioorg Med Chem 22: 2469-81 (2014) Leiden University 2D 3D TSV
24656804 44 1,2-benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors.EBI Bioorg Med Chem 22: 2416-26 (2014) Tianjin University of Science and Technology 2D 3D TSV
24656800 11 Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography.EBI Bioorg Med Chem 22: 2427-34 (2014) Astellas Pharma Inc 2D 3D TSV
24656662 33 Synthesis, biological evaluation, and docking analysis of a novel family of 1-methyl-1H-pyrrole-2,5-diones as highly potent and selective cyclooxygenase-2 (COX-2) inhibitors.EBI Bioorg Med Chem Lett 24: 1958-62 (2014) Kyung Hee University 2D 3D TSV
24656661 11 Core modification of substituted piperidines as novel inhibitors of HDM2-p53 protein-protein interaction.EBI Bioorg Med Chem Lett 24: 1983-6 (2014) Merck Research Laboratories 2D 3D TSV
24656565 73 Discovery of a potent and dissociated non-steroidal glucocorticoid receptor agonist containing an alkyl carbinol pharmacophore.EBI Bioorg Med Chem Lett 24: 1934-40 (2014) Boehringer Ingelheim Pharmaceuticals Inc 2D 3D TSV
24654918 19 Pharmacophoric modifications lead to superpotentavß3 integrin ligands with suppresseda5ß1 activity.EBI J Med Chem 57: 3410-7 (2014) Technische Universit£t M£nchen 2D 3D TSV
24654886 3 New pyrazolobenzothiazine derivatives as hepatitis C virus NS5B polymerase palm site I inhibitors.EBI J Med Chem 57: 3247-62 (2014) Universit£ degli Studi di Perugia 2D 3D TSV
24650714 21 Non-imidazole histamine H3 receptor ligands incorporating antiepileptic moieties.EBI Eur J Med Chem 77: 269-79 (2014) United Arab Emirates University 2D 3D TSV
24650704 6 Using 'biased-privileged' scaffolds to identify lysine methyltransferase inhibitors.EBI Bioorg Med Chem 22: 2253-60 (2014) Rockefeller University 2D 3D TSV
24650702 16 Structure-activity relationship of celecoxib and rofecoxib for the membrane permeabilizing activity.EBI Bioorg Med Chem 22: 2529-34 (2014) Keio University 2D 3D TSV
24650641 110 Arylamino bisphosphonates: potent and selective inhibitors of the tumor-associated carbonic anhydrase XII.EBI Bioorg Med Chem Lett 24: 1941-3 (2014) Universit£ degli Studi 'Aldo Moro' di Bari 2D 3D TSV
24650640 43 Discovery of 4-anilinoa-carbolines as novel Brk inhibitors.EBI Bioorg Med Chem Lett 24: 1948-51 (2014) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
24649848 47 Discovery of a potent and selectivea3ß4 nicotinic acetylcholine receptor antagonist from ana-conotoxin synthetic combinatorial library.EBI J Med Chem 57: 3511-21 (2014) Torrey Pines Institute for Molecular Studies 2D 3D TSV
24649802 18 Oseltamivir analogues bearing N-substituted guanidines as potent neuraminidase inhibitors.EBI J Med Chem 57: 3154-60 (2014) Utrecht University 2D 3D TSV
24648867 58 Chiral Effect of a Phe Residue in Position 3 of the DmtEBI ACS Med Chem Lett 4: 656-659 (2013) University of Arizona 2D 3D TSV
24648521 2 Deciphering the binding of caveolin-1 to client protein endothelial nitric-oxide synthase (eNOS): scaffolding subdomain identification, interaction modeling, and biological significance.BDB J Biol Chem 289: 13273-83 (2014) St. Paul's Hospital's Centre of Heart and Lung Innovation 2D 3D TSV
24644281 3 Fatty acid-binding protein 5 (FABP5) regulates cognitive function both by decreasing anandamide levels and by activating the nuclear receptor peroxisome proliferator-activated receptor ß/d (PPARß/d) in the brain.BDB J Biol Chem 289: 12748-58 (2014) Case Western Reserve University School of Medicine 2D 3D TSV
24642566 17 Acyl hydrazides and triazoles as novel inhibitors of mammalian cathepsin B and cathepsin H.EBI Eur J Med Chem 77: 231-42 (2014) Kurukshetra University 2D 3D TSV
24641677 65 1,3-disubstituted-4-aminopyrazolo [3, 4-d] pyrimidines, a new class of potent inhibitors for phospholipase D.BDB Chem Biol Drug Des 84: 270-81 (2014) University of Massachusetts Boston 2D 3D TSV
24641190 16 Development of a bioavailableµ opioid receptor (MOPr) agonist,d opioid receptor (DOPr) antagonist peptide that evokes antinociception without development of acute tolerance.EBI J Med Chem 57: 3148-53 (2014) University of Michigan 2D 3D TSV
24641103 104 Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.EBI J Med Chem 57: 3430-49 (2014) Amgen Inc 2D 3D TSV
24641010 33 Design and synthesis of high affinity inhibitors of Plasmodium falciparum and Plasmodium vivax N-myristoyltransferases directed by ligand efficiency dependent lipophilicity (LELP).EBI J Med Chem 57: 2773-88 (2014) Imperial College 2D 3D TSV
24636945 37 Pyrazoles as non-classical bioisosteres in prolylcarboxypeptidase (PrCP) inhibitors.EBI Bioorg Med Chem Lett 24: 1657-60 (2014) Merck Research Laboratories 2D 3D TSV
24636540 18 Synthesis and biologic evaluation of substituted 5-methyl-2-phenyl-1H-pyrazol-3(2H)-one derivatives as selective COX-2 inhibitors: molecular docking study.BDB Chem Biol Drug Des 84: 409-19 (2014) Y.B. Chavan College of Pharmacy 2D 3D TSV
24636345 25 Discovery and Structure Optimization of a Series of Isatin Derivatives as Mycobacterium tuberculosis Chorismate Mutase Inhibitors.BDB Chem Biol Drug Des 83: 498-506 (2014) Birla Institute of Technology 2D 3D TSV
24634223 8 Trimethylation of histone H3 lysine 36 by human methyltransferase PRDM9 protein.BDB J Biol Chem 289: 12177-88 (2014) University of Toronto 2D 3D TSV
24634219 2 A novel small-molecule tumor necrosis factor a inhibitor attenuates inflammation in a hepatitis mouse model.BDB J Biol Chem 289: 12457-66 (2014) Institute of Hematology and Blood Diseases Hospital, Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
24632506 23 Synthesis and evaluation of c-Src kinase inhibitory activity of pyridin-2(1H)-one derivatives.BDB Bioorg Chem 53: 75-82 (2014) University of Delhi, Delhi 110007, India 2D 3D TSV
24631898 17 Rational design, synthesis and evaluation of chromone-indole and chromone-pyrazole based conjugates: identification of a lead for anti-inflammatory drug.EBI Eur J Med Chem 77: 185-92 (2014) Guru Nanak Dev University 2D 3D TSV
24631895 14 1-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamides: synthesis, molecular modeling, evaluation of their anti-inflammatory activity and ulcerogenicity.EBI Eur J Med Chem 77: 155-65 (2014) Minia University 2D 3D TSV
24631727 4 Novel insights on the structural determinants of clozapine and olanzapine multi-target binding profiles.EBI Eur J Med Chem 77: 91-5 (2014) Universitat Pompeu Fabra 2D 3D TSV
24631365 10 Synthesis and biological evaluation of new pyrazolone-pyridazine conjugates as anti-inflammatory and analgesic agents.EBI Bioorg Med Chem 22: 2080-9 (2014) Cairo University 2D 3D TSV
24631361 3 Fused heterocyclic compounds bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 1: design, synthesis and biological evaluation of novel 5,7-disubstituted pyrazolo[1,5-a]pyrimidine derivatives.EBI Bioorg Med Chem 22: 2052-9 (2014) Shandong University 2D 3D TSV
24631359 10 N-Acyl-phosphoramidates as potential novel form of gemcitabine prodrugs.EBI Bioorg Med Chem 22: 2133-40 (2014) Polish Academy of Sciences 2D 3D TSV
24631189 86 Structure-based design and synthesis of tricyclic IAP (Inhibitors of Apoptosis Proteins) inhibitors.EBI Bioorg Med Chem Lett 24: 1820-4 (2014) AstraZeneca 2D 3D TSV
24631188 12 Optimization of plasmepsin inhibitor by focusing on similar structural feature with chloroquine to avoid drug-resistant mechanism of Plasmodium falciparum.EBI Bioorg Med Chem Lett 24: 1698-701 (2014) Kyoto Pharmaceutical University 2D 3D TSV
24630695 11 Decreasing acidity in a series of aldose reductase inhibitors: 2-Fluoro-4-(1H-pyrrol-1-yl)phenol as a scaffold for improved membrane permeation.EBI Bioorg Med Chem 22: 2194-207 (2014) Aristotle University of Thessaloniki 2D 3D TSV
24630694 11 Design and synthesis of silicon-containing steroid sulfatase inhibitors possessing pro-estrogen antagonistic character.EBI Bioorg Med Chem 22: 2244-52 (2014) The University of Tokyo 2D 3D TSV
24630693 8 Some non-conventional biomolecular targets for diamidines. A short survey.EBI Bioorg Med Chem 22: 1983-92 (2014) Xavier University of Louisiana 2D 3D TSV
24630562 58 Synthesis and evaluation of carbon-linked analogs of dual orexin receptor antagonist filorexant.EBI Bioorg Med Chem Lett 24: 1784-9 (2014) Merck Research Laboratories 2D 3D TSV
24630560 2 Inhibitory effect of Rhus verniciflua Stokes extract on human aromatase activity; butin is its major bioactive component.EBI Bioorg Med Chem Lett 24: 1730-3 (2014) Hanyang University 2D 3D TSV
24630558 31 Design, synthesis, and characterization of novel, nonquaternary reactivators of GF-inhibited human acetylcholinesterase.EBI Bioorg Med Chem Lett 24: 1711-4 (2014) Southwest Research Institute 2D 3D TSV
24630412 22 Schiff's base derivatives bearing nitroimidazole and quinoline nuclei: new class of anticancer agents and potential EGFR tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 24: 1734-6 (2014) Nanjing University 2D 3D TSV
24630411 38 Mineralocorticoid receptor antagonists: identification of heterocyclic amide replacements in the oxazolidinedione series.EBI Bioorg Med Chem Lett 24: 1681-4 (2014) Merck Research Laboratories 2D 3D TSV
24629449 2 Computer-aided identification of novel 3,5-substituted rhodanine derivatives with activity against Staphylococcus aureus DNA gyrase.EBI Bioorg Med Chem 22: 2176-87 (2014) University of the Sciences 2D 3D TSV
24629448 2 Synthetic approaches to the 2012 new drugs.EBI Bioorg Med Chem 22: 2005-32 (2014) PharmaPhase Co., Ltd 2D 3D TSV
24625069 28 Structure-activity relationship studies toward the discovery of selective apelin receptor agonists.EBI J Med Chem 57: 2908-19 (2014) University of Strasburg 2D 3D TSV
24625057 79 Chromodomain antagonists that target the polycomb-group methyllysine reader protein chromobox homolog 7 (CBX7).EBI J Med Chem 57: 2874-83 (2014) University of Victoria 2D 3D TSV
24618511 6 A new potential approach to block HIV-1 replication via protein-protein interaction and strand-transfer inhibition.EBI Bioorg Med Chem 22: 2269-79 (2014) Universit£ di Messina 2D 3D TSV
24618302 49 Discovery of novel quinoline carboxylic acid series as DGAT1 inhibitors.EBI Bioorg Med Chem Lett 24: 1790-4 (2014) Merck Research Laboratories 2D 3D TSV
24618300 28 Synthesis and biological evaluation of a series of benzoxazole/benzothiazole-containing 2,3-dihydrobenzo[b][1,4]dioxine derivatives as potential antidepressants.EBI Bioorg Med Chem Lett 24: 1766-70 (2014) Huazhong University of Science and Technology 2D 3D TSV
24617858 239 Extended structure-activity relationship and pharmacokinetic investigation of (4-quinolinoyl)glycyl-2-cyanopyrrolidine inhibitors of fibroblast activation protein (FAP).EBI J Med Chem 57: 3053-74 (2014) University of Antwerp 2D 3D TSV
24617836 33 Synthesis, pharmacological evaluation, ands1 receptor interaction analysis of hydroxyethyl substituted piperazines.EBI J Med Chem 57: 2884-94 (2014) University of M£nster 2D 3D TSV
24613701 6 Synthesis and in vitro evaluation of small-molecule [18F] labeled gonadotropin-releasing hormone (GnRH) receptor antagonists as potential PET imaging agents for GnRH receptor expression.EBI Bioorg Med Chem Lett 24: 1846-50 (2014) Norwegian Medical Cyclotron Centre, PO Box 4950, Nydalen, N-0424 Oslo, Norway. 2D 3D TSV
24613627 5 Benzophenone C-glucosides and gallotannins from mango tree stem bark with broad-spectrum anti-viral activity.EBI Bioorg Med Chem 22: 2236-43 (2014) Chinese Academy of Sciences 2D 3D TSV
24613626 21 Synthesis, biological evaluation and 3D-QSAR studies of new chalcone derivatives as inhibitors of human P-glycoprotein.EBI Bioorg Med Chem 22: 2311-9 (2014) Medical University Vienna 2D 3D TSV
24613625 24 The identification, analysis and structure-based development of novel inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase.EBI Bioorg Med Chem 22: 2157-65 (2014) St. Jude Children's Research Hospital 2D 3D TSV
24613457 64 Endomorphin analogues with mixedµ-opioid (MOP) receptor agonism/d-opioid (DOP) receptor antagonism and lackingß-arrestin2 recruitment activity.EBI Bioorg Med Chem 22: 2208-19 (2014) Nanjing Medical University 2D 3D TSV
24613378 33 Alkylsulfone-containing trisubstituted cyclohexanes as potent and bioavailable chemokine receptor 2 (CCR2) antagonists.EBI Bioorg Med Chem Lett 24: 1843-5 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24613052 69 Pyrrolopyrimidine-inhibitors with hydantoin moiety as spacer can explore P4/S4 interaction on plasmin.EBI Bioorg Med Chem 22: 2339-52 (2014) Hiroshima International University 2D 3D TSV
24612767 7 Discovery of novel secretory phospholipase A2 inhibitors using virtual screen.BDB Chem Biol Drug Des 84: 216-22 (2014) Peking University 2D 3D TSV
24611893 22 Symmetric bis-chalcones as a new type of breast cancer resistance protein inhibitors with a mechanism different from that of chromones.EBI J Med Chem 57: 2930-41 (2014) BMSSI UMR 5086 CNRS/Universit£ Lyon 1 2D 3D TSV
24611879 79 Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 3. Structure-activity relationships within the aryl carbinol region of the N-arylsulfonamido-N'-arylpiperazine series.EBI J Med Chem 57: 3094-116 (2014) Amgen Inc 2D 3D TSV
24611085 101 Discovery of ML314, a Brain Penetrant Non-Peptidic?-Arrestin Biased Agonist of the Neurotensin NTR1 Receptor.EBI ACS Med Chem Lett 4: 846-851 (2013) Sanford-Burnham Medical Research Institute 2D 3D TSV
24610996 16 Thrombin inhibitory activity of some polyphenolic compounds.EBI Med Chem Res 23: 2324-2337 (2014) University of Lodz 2D 3D TSV
24608000 27 New synthesis of 3-(ß-D-glucopyranosyl)-5-substituted-1,2,4-triazoles, nanomolar inhibitors of glycogen phosphorylase.EBI Eur J Med Chem 76: 567-79 (2014) University of Debrecen 2D 3D TSV
24607999 16 SAR study on arylmethyloxyphenyl scaffold: looking for a P-gp nanomolar affinity.EBI Eur J Med Chem 76: 558-66 (2014) Universit£ di Pisa 2D 3D TSV
24607998 13 Design, synthesis and molecular modeling of pyrazole-quinoline-pyridine hybrids as a new class of antimicrobial and anticancer agents.EBI Eur J Med Chem 76: 549-57 (2014) Nanjing University 2D 3D TSV
24607877 20 Celecoxib analogs bearing benzofuran moiety as cyclooxygenase-2 inhibitors: design, synthesis and evaluation as potential anti-inflammatory agents.EBI Eur J Med Chem 76: 482-93 (2014) Cairo University 2D 3D TSV
24607591 11 Synthesis and evaluation of 2-anilinopyrimidines bearing 3-aminopropamides as potential epidermal growth factor receptor inhibitors.EBI Eur J Med Chem 77: 75-83 (2014) China Pharmaceutical University 2D 3D TSV
24607578 11 Development of novel pyrazolone derivatives as inhibitors of aldose reductase: an eco-friendly one-pot synthesis, experimental screening and in silico analysis.BDB Bioorg Chem 53: 67-74 (2014) Swami Ramanand Teerth Marathwada University, Nanded (MS), India 2D 3D TSV
24606395 8 Alkaloids from the roots of Stichoneuron caudatum and their acetylcholinesterase inhibitory activities.EBI J Nat Prod 77: 894-901 (2014) University of Wollongong 2D 3D TSV
24606063 31 Fragment-based identification of an inducible binding site on cell surface receptor CD44 for the design of protein-carbohydrate interaction inhibitors.EBI J Med Chem 57: 2714-25 (2014) University of Minnesota 2D 3D TSV
24602903 11 Evaluation of bisindole as potentß-glucuronidase inhibitors: synthesis and in silico based studies.EBI Bioorg Med Chem Lett 24: 1825-9 (2014) University of Karachi 2D 3D TSV
24602795 4 Discovery of nitropyridine derivatives as potent HIV-1 non-nucleoside reverse transcriptase inhibitors via a structure-based core refining approach.EBI Eur J Med Chem 76: 531-8 (2014) Shandong University 2D 3D TSV
24602793 6 Identification of human presequence protease (hPreP) agonists for the treatment of Alzheimer's disease.EBI Eur J Med Chem 76: 506-16 (2014) University of Kansas 2D 3D TSV
24602792 6 Benzimidazole: an emerging scaffold for analgesic and anti-inflammatory agents.EBI Eur J Med Chem 76: 494-505 (2014) ASBASJSM College of Pharmacy 2D 3D TSV
24602787 27 Development and characterization of 3-(benzylsulfonamido)benzamides as potent and selective SIRT2 inhibitors.EBI Eur J Med Chem 76: 414-26 (2014) Northwestern University 2D 3D TSV
24602401 40 [Dmt(1)]DALDA analogues with enhancedµ opioid agonist potency and with a mixedµ/¿ opioid activity profile.EBI Bioorg Med Chem 22: 2333-8 (2014) Nanjing Medical University 2D 3D TSV
24601669 5 Potential anti-angiogenesis effects of p-terphenyl compounds from Polyozellus multiplex.EBI J Nat Prod 77: 963-8 (2014) Meiji Pharmaceutical University 2D 3D TSV
24601644 113 Novel inhibitors of the MDM2-p53 interaction featuring hydrogen bond acceptors as carboxylic acid isosteres.EBI J Med Chem 57: 2963-88 (2014) Amgen Inc 2D 3D TSV
24601592 48 Imidazol-1-ylethylindazole voltage-gated sodium channel ligands are neuroprotective during optic neuritis in a mouse model of multiple sclerosis.EBI J Med Chem 57: 2942-52 (2014) University College London 2D 3D TSV
24599514 23 The SAMPL4 host-guest blind prediction challenge: an overview.BDB J Comput Aided Mol Des 28: 305-17 (2014) University of California San Diego 2D 3D TSV
24597921 14 Prenylated coumarins: natural phosphodiesterase-4 inhibitors from Toddalia asiatica.EBI J Nat Prod 77: 955-62 (2014) Sun Yat-sen University 2D 3D TSV
24597733 57 Optimization of potency and pharmacokinetic properties of tetrahydroisoquinoline transient receptor potential melastatin 8 (TRPM8) antagonists.EBI J Med Chem 57: 2989-3004 (2014) Amgen Inc 2D 3D TSV
24594525 25 Design, synthesis and biological evaluation of D-ring opened galantamine analogs as multifunctional anti-Alzheimer agents.EBI Eur J Med Chem 76: 376-86 (2014) Southeast University 2D 3D TSV
24594354 46 Synthesis and discovery of highly functionalized mono- and bis-spiro-pyrrolidines as potent cholinesterase enzyme inhibitors.EBI Bioorg Med Chem Lett 24: 1815-9 (2014) Universiti Sains Malaysia 2D 3D TSV
24593905 16 Application of encoded library technology (ELT) to a protein-protein interaction target: discovery of a potent class of integrin lymphocyte function-associated antigen 1 (LFA-1) antagonists.EBI Bioorg Med Chem 22: 2353-65 (2014) GlaxoSmithKline 2D 3D TSV
24593120 5 Highly conjugated norditerpenoid and pyrroloquinoline alkaloids with potent PTP1B inhibitory activity from Nigella glandulifera.EBI J Nat Prod 77: 807-12 (2014) Chinese Academy of Sciences 2D 3D TSV
24592914 6 Targeting Staphylococcus aureus quorum sensing with nonpeptidic small molecule inhibitors.EBI J Med Chem 57: 2813-9 (2014) University of Nottingham 2D 3D TSV
24592867 58 Protein kinase CK-1 inhibitors as new potential drugs for amyotrophic lateral sclerosis.EBI J Med Chem 57: 2755-72 (2014) CSIC 2D 3D TSV
24592859 59 Cathepsin C inhibitors: property optimization and identification of a clinical candidate.EBI J Med Chem 57: 2357-67 (2014) AstraZeneca 2D 3D TSV
24589511 60 Synthesis and carbonic anhydrase I, II, IX and XII inhibition studies of 4-N,N-disubstituted sulfanilamides incorporating 4,4,4-trifluoro-3-oxo-but-1-enyl, phenacylthiourea and imidazol-2(3H)-one/thione moieties.EBI Bioorg Med Chem Lett 24: 1776-9 (2014) University of Cagliari 2D 3D TSV
24589487 7 Design, synthesis and evaluation of genistein-O-alkylbenzylamines as potential multifunctional agents for the treatment of Alzheimer's disease.EBI Eur J Med Chem 76: 314-31 (2014) Sichuan University 2D 3D TSV
24589486 4 Total synthesis of burkholdacs A and B and 5,6,20-tri-epi-burkholdac A: HDAC inhibition and antiproliferative activity.EBI Eur J Med Chem 76: 301-13 (2014) Tohoku Pharmaceutical University 2D 3D TSV
24589484 92 4-Functionalized 1,3-diarylpyrazoles bearing benzenesulfonamide moiety as selective potent inhibitors of the tumor associated carbonic anhydrase isoforms IX and XII.EBI Eur J Med Chem 76: 284-90 (2014) Kurukshetra University 2D 3D TSV
24588963 21 Discovery of 3-(4-methanesulfonylphenoxy)-N-[1-(2-methoxy-ethoxymethyl)-1H-pyrazol-3-yl]-5-(3-methylpyridin-2-yl)-benzamide as a novel glucokinase activator (GKA) for the treatment of type 2 diabetes mellitus.EBI Bioorg Med Chem 22: 2280-93 (2014) Yuhan Research Institute 2D 3D TSV
24588961 36 Design and synthesis of conformationally restricted inhibitors of active thrombin activatable fibrinolysis inhibitor (TAFIa).EBI Bioorg Med Chem 22: 2261-8 (2014) AstraZeneca 2D 3D TSV
24588269 4 Biologically active eremophilane-type sesquiterpenes from Camarops sp., an endophytic fungus isolated from Alibertia macrophylla.EBI J Nat Prod 77: 668-72 (2014) Universidade Estadual Paulista 2D 3D TSV
24588105 56 Synthesis and evaluation of new Hsp90 inhibitors based on a 1,4,5-trisubstituted 1,2,3-triazole scaffold.EBI J Med Chem 57: 2258-74 (2014) Universit£ degli Studi di Siena 2D 3D TSV
24588073 24 Identification and optimization of new dual inhibitors of B-Raf and epidermal growth factor receptor kinases for overcoming resistance against vemurafenib.EBI J Med Chem 57: 2692-703 (2014) Chinese Academy of Sciences 2D 3D TSV
24583379 2 Discovery of novel urea derivatives as dual-target hypoglycemic agents that activate glucokinase and PPAR¿.EBI Eur J Med Chem 76: 182-92 (2014) Chinese Academy of Medical Sciences & Peking Union Medical College 2D 3D TSV
24583357 4 Recent advances in the structural library of functionalized quinazoline and quinazolinone scaffolds: synthetic approaches and multifarious applications.EBI Eur J Med Chem 76: 193-244 (2014) Quaid-i-Azam University 2D 3D TSV
24583353 13 The applications of binuclear metallohydrolases in medicine: recent advances in the design and development of novel drug leads for purple acid phosphatases, metallo-ß-lactamases and arginases.EBI Eur J Med Chem 76: 132-44 (2014) The University of Queensland 2D 3D TSV
24583352 13 Homoisoflavonoids as potential imaging agents for ?-amyloid plaques in Alzheimer's disease.EBI Eur J Med Chem 76: 125-31 (2014) Hefei University of Technology 2D 3D TSV
24582987 30 The discovery of reverse tricyclic pyridone JAK2 inhibitors. Part 2: lead optimization.EBI Bioorg Med Chem Lett 24: 1466-71 (2014) Merck & Co. 2D 3D TSV
24582986 37 Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein.EBI Bioorg Med Chem Lett 24: 1484-8 (2014) Research & Development, AbbVie 2D 3D TSV
24582985 1 5-Hydroxy-2-(2-phenylethyl)chromone (5-HPEC): a novel non-nitrogenous ligand for 5-HT2B receptor.EBI Bioorg Med Chem Lett 24: 1489-92 (2014) Virginia Commonwealth University 2D 3D TSV
24582477 33 Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold.EBI Bioorg Med Chem Lett 24: 1557-61 (2014) China Pharmaceutical University 2D 3D TSV
24582476 17 cis-1-Oxo-heterocyclyl-4-amido cyclohexane derivatives as NPY5 receptor antagonists.EBI Bioorg Med Chem Lett 24: 1458-61 (2014) Lundbeck Research USA, Inc. 2D 3D TSV
24581547 11 Interaction kinetics of liposome-incorporated unsaturated fatty acids with fatty acid-binding protein 3 by surface plasmon resonance.EBI Bioorg Med Chem 22: 1804-8 (2014) Osaka University 2D 3D TSV
24581546 4 Discovery of 2-pyridone derivatives as potent HIV-1 NNRTIs using molecular hybridization based on crystallographic overlays.EBI Bioorg Med Chem 22: 1863-72 (2014) Shandong University 2D 3D TSV
24580635 21 Structure-activity relationship refinement and further assessment of 4-phenylquinazoline-2-carboxamide translocator protein ligands as antiproliferative agents in human glioblastoma tumors.EBI J Med Chem 57: 2413-28 (2014) Universit£ di Salerno 2D 3D TSV
24580531 6 Differences in conformational dynamics between Plasmodium falciparum and human Hsp90 orthologues enable the structure-based discovery of pathogen-selective inhibitors.EBI J Med Chem 57: 2524-35 (2014) University of Geneva 2D 3D TSV
24576797 8 Part I. Synthesis, biological evaluation and docking studies of new 2-furylbenzimidazoles as antiangiogenic agents.EBI Eur J Med Chem 87: 868-80 (2014) National Research Centre, Dokki 2D 3D TSV
24571273 32 Spiromastixones A-O, antibacterial chlorodepsidones from a deep-sea-derived Spiromastix sp. fungus.EBI J Nat Prod 77: 1021-30 (2014) Peking University 2D 3D TSV
24571165 55 Targeting carnitine biosynthesis: discovery of new inhibitors against¿-butyrobetaine hydroxylase.EBI J Med Chem 57: 2213-36 (2014) Latvian Biomedical Research and Study centre 2D 3D TSV
24569110 11 Discovery of dual ZAP70 and Syk kinases inhibitors by docking into a rare C-helix-out conformation of Syk.EBI Bioorg Med Chem Lett 24: 1523-7 (2014) University of Zurich 2D 3D TSV
24568695 76 Strategies to inhibit tumor associated integrin receptors: rationale for dual and multi-antagonists.EBI J Med Chem 57: 6301-15 (2014) University of Bradford 2D 3D TSV
24568657 34 Propargyl-linked antifolates are dual inhibitors of Candida albicans and Candida glabrata.EBI J Med Chem 57: 2643-56 (2014) University of Connecticut 2D 3D TSV
24568631 15 Design of novel potent antihyperlipidemic agents with antioxidant/anti-inflammatory properties: exploiting phenothiazine's strong antioxidant activity.EBI J Med Chem 57: 2568-81 (2014) University of Athens 2D 3D TSV
24568559 7 Multitarget drug discovery for tuberculosis and other infectious diseases.EBI J Med Chem 57: 3126-39 (2014) University of Illinois at Urbana-Champaign 2D 3D TSV
24568372 40 Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents.EBI J Med Chem 57: 2549-67 (2014) Universitat de Barcelona 2D 3D TSV
24568342 19 X-ray structural and biological evaluation of a series of potent and highly selective inhibitors of human coronavirus papain-like proteases.EBI J Med Chem 57: 2393-412 (2014) Purdue University 2D 3D TSV
24568313 4 Novel spiroketal pyrrolidine GSK2336805 potently inhibits key hepatitis C virus genotype 1b mutants: from lead to clinical compound.EBI J Med Chem 57: 2058-73 (2014) GlaxoSmithKline 2D 3D TSV
24568185 76 wALADin benzimidazoles differentially modulate the function of porphobilinogen synthase orthologs.EBI J Med Chem 57: 2498-510 (2014) University Hospital of Bonn 2D 3D TSV
24568174 3 One-step semisynthesis of oleacein and the determination as a 5-lipoxygenase inhibitor.EBI J Nat Prod 77: 441-5 (2014) University of Athens 2D 3D TSV
24565972 29 Development of novel tetrahydrothieno[2,3-c]pyridine-3-carboxamide based Mycobacterium tuberculosis pantothenate synthetase inhibitors: molecular hybridization from known antimycobacterial leads.EBI Bioorg Med Chem 22: 1938-47 (2014) Birla Institute of Technology 2D 3D TSV
24565969 69 Design, synthesis and biological evaluation of novel 6-alkenylamides substituted of 4-anilinothieno[2,3-d]pyrimidines as irreversible epidermal growth factor receptor inhibitors.EBI Bioorg Med Chem 22: 2366-78 (2014) Chinese Academy of Sciences 2D 3D TSV
24565968 1 Polyphenols bearing cinnamaldehyde scaffold showing cell growth inhibitory effects on the cisplatin-resistant A2780/Cis ovarian cancer cells.EBI Bioorg Med Chem 22: 1809-20 (2014) Konkuk University 2D 3D TSV
24565573 35 4,5,6,7-Tetrahydro-isoxazolo-[4,5-c]-pyridines as a new class of cytotoxic Hsp90 inhibitors.EBI Eur J Med Chem 76: 53-60 (2014) Universit£ degli Studi di Ferrara 2D 3D TSV
24564570 12 Diamidine compounds for selective inhibition of protein arginine methyltransferase 1.EBI J Med Chem 57: 2611-22 (2014) The University of Georgia 2D 3D TSV
24564525 7 Design, synthesis, and structure-activity relationship studies of novel fused heterocycles-linked triazoles with good activity and water solubility.EBI J Med Chem 57: 3687-706 (2014) Chinese Academy of Sciences 2D 3D TSV
24563723 10 Preparation and activities of macromolecule conjugates of the CCR5 antagonist Maraviroc.EBI ACS Med Chem Lett 5: 133-137 (2014) The Scripps Research Institute 2D 3D TSV
24561716 18 Identification of a new series of amides as non-covalent proteasome inhibitors.EBI Eur J Med Chem 76: 1-9 (2014) Universit£ degli Studi di Messina 2D 3D TSV
24560739 124 Design, synthesis and evaluation of N-substituted saccharin derivatives as selective inhibitors of tumor-associated carbonic anhydrase XII.EBI Bioorg Med Chem 22: 1821-31 (2014) Sapienza University of Rome 2D 3D TSV
24560738 64 Alkynyl-coumarinyl ethers as MAO-B inhibitors.EBI Bioorg Med Chem 22: 1916-28 (2014) University of Bonn 2D 3D TSV
24560737 88 Benzenesulfonamide bearing 1,2,4-triazole scaffolds as potent inhibitors of tumor associated carbonic anhydrase isoforms hCA IX and hCA XII.EBI Bioorg Med Chem 22: 1873-82 (2014) Kurukshetra University 2D 3D TSV
24560540 119 Preparation and optimization of new 4-(2-(indolin-1-yl)-2-oxoethyl)-2-morpholinothiazole-5-carboxylic acid and amide derivatives as potent and selective PI3Kß inhibitors.EBI Bioorg Med Chem Lett 24: 1506-10 (2014) Sanofi 2D 3D TSV
24560539 6 Discovery of 1,3,4-oxidiazole scaffold compounds as inhibitors of superoxide dismutase expression.EBI Bioorg Med Chem Lett 24: 1532-7 (2014) Northwestern University 2D 3D TSV
24560538 5 Preparation and evaluation of novel pyrazolo[1,5-a]pyrimidine acetamides, closely related to DPA-714, as potent ligands for imaging the TSPO 18kDa with PET.EBI Bioorg Med Chem Lett 24: 1550-6 (2014) CEA 2D 3D TSV
24559867 6 Development of novel silicon-containing inverse agonists of retinoic acid receptor-related orphan receptors.EBI Bioorg Med Chem 22: 1948-59 (2014) The University of Tokyo 2D 3D TSV
24559768 4 Development of tag-free photoprobes for studies aimed at identifying the target of novel Group A Streptococcus antivirulence agents.EBI Bioorg Med Chem Lett 24: 1538-44 (2014) University of Michigan 2D 3D TSV
24559070 1 A perspective on natural products research and ethnopharmacology in Mexico: the eagle and the serpent on the prickly pear cactus.EBI J Nat Prod 77: 678-89 (2014) University of London 2D 3D TSV
24559051 141 Discovery of a tetracyclic quinoxaline derivative as a potent and orally active multifunctional drug candidate for the treatment of neuropsychiatric and neurological disorders.EBI J Med Chem 57: 2670-82 (2014) Intra-Cellular Therapies Inc 2D 3D TSV
24556381 4 Synthesis and evaluation of 2-(1H-indol-3-yl)-4-phenylquinolines as inhibitors of cholesterol esterase.EBI Bioorg Med Chem Lett 24: 1545-9 (2014) Universidad de Buenos Aires 2D 3D TSV
24556380 47 Quality by design (QbD) of amide isosteres: 5,5-Disubstituted isoxazolines as potent CRTh2 antagonists with favorable pharmacokinetic and drug-like properties.EBI Bioorg Med Chem Lett 24: 1615-20 (2014) Merck Research Laboratories 2D 3D TSV
24556379 34 Synthesis of novel l-rhamnose derived acyclic C-nucleosides with substituted 1,2,3-triazole core as potent sodium-glucose co-transporter (SGLT) inhibitors.EBI Bioorg Med Chem Lett 24: 1528-31 (2014) CSIR-Indian Institute of Chemical Technology 2D 3D TSV
24556147 52 Novel 8-(p-substituted-phenyl/benzyl)xanthines with selectivity for the A2A adenosine receptor possess bronchospasmolytic activity.EBI Eur J Med Chem 75: 327-35 (2014) Panjab University 2D 3D TSV
24556146 26 Monovalent mannose-based DC-SIGN antagonists: targeting the hydrophobic groove of the receptor.EBI Eur J Med Chem 75: 308-26 (2014) University of Ljubljana 2D 3D TSV
24556143 5 Design, synthesis and molecular modeling of aloe-emodin derivatives as potent xanthine oxidase inhibitors.EBI Eur J Med Chem 75: 289-96 (2014) Hainan University 2D 3D TSV
24555570 1 Discovery and early clinical evaluation of BMS-605339, a potent and orally efficacious tripeptidic acylsulfonamide NS3 protease inhibitor for the treatment of hepatitis C virus infection.EBI J Med Chem 57: 1708-29 (2014) Bristol-Myers Squibb Research and Development 2D 3D TSV
24548297 50 Selective and potent morpholinone inhibitors of the MDM2-p53 protein-protein interaction.EBI J Med Chem 57: 2472-88 (2014) Amgen Inc 2D 3D TSV
24548207 14 Heat shock protein 70 inhibitors. 1. 2,5'-thiodipyrimidine and 5-(phenylthio)pyrimidine acrylamides as irreversible binders to an allosteric site on heat shock protein 70.EBI J Med Chem 57: 1188-207 (2014) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
24547899 4 Isolation and synthesis of pulmonarins A and B, acetylcholinesterase inhibitors from the colonial ascidian Synoicum pulmonaria.EBI J Nat Prod 77: 364-9 (2014) University of Troms£ 2D 3D TSV
24534538 27 Bis(ammonio)alkane-type agonists of muscarinic acetylcholine receptors: synthesis, in vitro functional characterization, and in vivo evaluation of their analgesic activity.EBI Eur J Med Chem 75: 222-32 (2014) Universit£ degli Studi di Milano 2D 3D TSV
24534487 3 New C(4)- and C(1)-derivatives of furo[3,4-c]pyridine-3-ones and related compounds: evidence for site-specific inhibition of the constitutive proteasome and its immunoisoform.EBI Bioorg Med Chem Lett 24: 1571-80 (2014) Yerevan State University 2D 3D TSV
24534486 56 2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.EBI Bioorg Med Chem Lett 24: 1592-6 (2014) Novartis Institutes for BioMedical Research 2D 3D TSV
24533839 24 Synthesis, biological evaluation, and structure-activity relationships of potent noncovalent and nonpeptidic cruzain inhibitors as anti-Trypanosoma cruzi agents.EBI J Med Chem 57: 2380-92 (2014) Universidade de S£o Paulo 2D 3D TSV
24531230 34 2-[N-Alkyl(R-phenyl)-aminomethyl]-3-phenyl-7-trifluoromethylquinoxalines as anticancer agents inhibitors of folate enzymes.EBI Eur J Med Chem 75: 169-83 (2014) Universit£ degli Studi di Sassari 2D 3D TSV
24531229 62 New 1-arylindoles based serotonin 5-HT7 antagonists. Synthesis and binding evaluation studies.EBI Eur J Med Chem 75: 159-68 (2014) Universit£ de Lyon 2D 3D TSV
24531224 30 Design, synthesis and biological evaluation of hetero-aromatic moieties substituted pyrrole-2-carbonitrile derivatives as dipeptidyl peptidase IV inhibitors.EBI Eur J Med Chem 75: 111-22 (2014) Shenyang Pharmaceutical University 2D 3D TSV
24531199 16 Selective COX-1 inhibition as a target of theranostic novel diarylisoxazoles.EBI Eur J Med Chem 74: 606-18 (2014) University of Bari "A. Moro" 2D 3D TSV
24530494 42 Design, synthesis, pharmacological evaluation, QSAR analysis, molecular modeling and ADMET of novel donepezil-indolyl hybrids as multipotent cholinesterase/monoamine oxidase inhibitors for the potential treatment of Alzheimer's disease.EBI Eur J Med Chem 75: 82-95 (2014) Laboratorio de Quimica Medica (IQOG, CSIC) 2D 3D TSV
24530227 30 Synthesis, biological evaluation and molecular modelling studies of 4-anilinoquinazoline derivatives as protein kinase inhibitors.EBI Bioorg Med Chem 22: 1909-15 (2014) Rajiv Gandhi Proudyogiki Vishwavidyalaya 2D 3D TSV
24530032 65 Structure-based optimization of cyclopropyl urea derivatives as potent soluble epoxide hydrolase inhibitors for potential decrease of renal injury without hypotensive action.EBI Bioorg Med Chem 22: 1548-57 (2014) Dainippon Sumitomo Pharma Co., Ltd 2D 3D TSV
24530031 43 Design, synthesis and biological evaluation of 7-nitro-1H-indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase.EBI Bioorg Med Chem 22: 1850-62 (2014) Chinese Academy of Medical Sciences & Peking Union Medical College 2D 3D TSV
24529871 7 Inhibition of cellular proliferation and induction of apoptosis in human lung adenocarcinoma A549 cells by T-type calcium channel antagonist.EBI Bioorg Med Chem Lett 24: 1565-70 (2014) Kyung Hee University 2D 3D TSV
24529308 34 Synthesis of 2,6-disubstituted benzylamine derivatives as reversible selective inhibitors of copper amine oxidases.EBI Bioorg Med Chem 22: 1558-67 (2014) Universit£ di Genova 2D 3D TSV
24527807 82 1-(2-Hydroxy-2-methyl-3-phenoxypropanoyl)indoline-4-carbonitrile derivatives as potent and tissue selective androgen receptor modulators.EBI J Med Chem 57: 2462-71 (2014) Pfizer Inc 2D 3D TSV
24527792 8 Design, synthesis, crystallographic studies, and preliminary biological appraisal of new substituted triazolo[4,3-b]pyridazin-8-amine derivatives as tankyrase inhibitors.EBI J Med Chem 57: 2807-12 (2014) Universit£ degli Studi di Perugia 2D 3D TSV
24527772 262 The discovery of N-((2H-tetrazol-5-yl)methyl)-4-((R)-1-((5r,8R)-8-(tert-butyl)-3-(3,5-dichlorophenyl)-2-oxo-1,4-diazaspiro[4.5]dec-3-en-1-yl)-4,4-dimethylpentyl)benzamide (SCH 900822): a potent and selective glucagon receptor antagonist.EBI J Med Chem 57: 2601-10 (2014) Merck Research Laboratories 2D 3D TSV
24525003 28 Design, synthesis and preliminary bioactivity studies of 1,2-dihydrobenzo[d]isothiazol-3-one-1,1-dioxide hydroxamic acid derivatives as novel histone deacetylase inhibitors.EBI Bioorg Med Chem 22: 1529-38 (2014) Shandong University 2D 3D TSV
24524217 65 Structurally novel highly potent proteasome inhibitors created by the structure-based hybridization of nonpeptidic belactosin derivatives and peptide boronates.EBI J Med Chem 57: 2726-35 (2014) Hokkaido University 2D 3D TSV
24523409 5 Coregulator control of androgen receptor action by a novel nuclear receptor-binding motif.BDB J Biol Chem 289: 8839-51 (2014) Karlsruhe Institute of Technology 2D 3D TSV
24521299 2 Hepatitis C virus NS5A replication complex inhibitors: the discovery of daclatasvir.EBI J Med Chem 57: 2013-32 (2014) Bristol-Myers Squibb Research and Development 2D 3D TSV
24521209 24 Isolation of arginase inhibitors from the bioactivity-guided fractionation of Byrsonima coccolobifolia leaves and stems.EBI J Nat Prod 77: 392-6 (2014) Universidade Federal de S£o Carlos 2D 3D TSV
24521095 7 Chemical composition of the bark of Tetrapterys mucronata and identification of acetylcholinesterase inhibitory constituents.EBI J Nat Prod 77: 650-6 (2014) Universidade Estadual Paulista (UNESP) 2D 3D TSV
24521039 5 Nitric oxide (NO) releasing poly ADP-ribose polymerase 1 (PARP-1) inhibitors targeted to glutathione S-transferase P1-overexpressing cancer cells.EBI J Med Chem 57: 2292-302 (2014) National Cancer Institute-Frederick 2D 3D TSV
24520998 2 2-Amino-3-(phenylsulfanyl)norbornane-2-carboxylate: an appealing scaffold for the design of Rac1-Tiam1 protein-protein interaction inhibitors.EBI J Med Chem 57: 2953-62 (2014) Universit£ degli Studi di Milano 2D 3D TSV
24520947 87 Using ovality to predict nonmutagenic, orally efficacious pyridazine amides as cell specific spleen tyrosine kinase inhibitors.EBI J Med Chem 57: 2683-91 (2014) Hoffmann-La Roche Inc 2D 3D TSV
24520856 14 Design, synthesis, and pharmacological evaluation of fluorinated tetrahydrouridine derivatives as inhibitors of cytidine deaminase.EBI J Med Chem 57: 2582-8 (2014) Eisai Inc. 2D 3D TSV
24518874 61 1,2-Dihydro-2-oxopyridine-3-carboxamides: the C-5 substituent is responsible for functionality switch at CB2 cannabinoid receptor.EBI Eur J Med Chem 74: 524-32 (2014) Universit£ di Pisa 2D 3D TSV
24518296 119 Discovery of simplified N²-substituted pyrazolo[3,4-d]pyrimidine derivatives as novel adenosine receptor antagonists: efficient synthetic approaches, biological evaluations and molecular docking studies.EBI Bioorg Med Chem 22: 1751-65 (2014) National University of Singapore 2D 3D TSV
24518190 88 6-Triazolyl-substituted sulfocoumarins are potent, selective inhibitors of the tumor-associated carbonic anhydrases IX and XII.EBI Bioorg Med Chem Lett 24: 1256-60 (2014) Latvian Institute of Organic Synthesis 2D 3D TSV
24517312 98 Identification of tetrapeptides from a mixture based positional scanning library that can restore nM full agonist function of the L106P, I69T, I102S, A219V, C271Y, and C271R human melanocortin-4 polymorphic receptors (hMC4Rs).EBI J Med Chem 57: 4615-28 (2014) University of Florida 2D 3D TSV
24517277 4 Therapeutic melting pot of never in mitosis gene a related kinase 2 (Nek2): a perspective on Nek2 as an oncology target and recent advancements in Nek2 small molecule inhibition.EBI J Med Chem 57: 5835-44 (2014) The University of Arizona 2D 3D TSV
24517248 20 Synthesis and biological evaluation of new carbohydrate-substituted indenoisoquinoline topoisomerase I inhibitors and improved syntheses of the experimental anticancer agents indotecan (LMP400) and indimitecan (LMP776).EBI J Med Chem 57: 1495-512 (2014) Purdue University 2D 3D TSV
24513188 22 Discovery and SAR study of hydroxyacetophenone derivatives as potent, non-steroidal farnesoid X receptor (FXR) antagonists.EBI Bioorg Med Chem 22: 1596-607 (2014) East China University of Science and Technology 2D 3D TSV
24513186 52 Synthesis of 6-tetrazolyl-substituted sulfocoumarins acting as highly potent and selective inhibitors of the tumor-associated carbonic anhydrase isoforms IX and XII.EBI Bioorg Med Chem 22: 1522-8 (2014) Latvian Institute of Organic Synthesis 2D 3D TSV
24513184 84 Carbonic anhydrase inhibitors: synthesis and inhibition of the human carbonic anhydrase isoforms I, II, IX and XII with benzene sulfonamides incorporating 4- and 3-nitrophthalimide moieties.EBI Bioorg Med Chem 22: 1586-95 (2014) Birla Institute of Technology 2D 3D TSV
24513048 88 1-Aryl-2-((6-aryl)pyrimidin-4-yl)amino)ethanols as competitive inhibitors of fatty acid amide hydrolase.EBI Bioorg Med Chem Lett 24: 1280-4 (2014) Janssen Pharmaceutical Companies of Johnson & Johnson L.L.C. 2D 3D TSV
24513046 28 Lactam sulfonamides as potent inhibitors of the Kv1.5 potassium ion channel.EBI Bioorg Med Chem Lett 24: 1269-73 (2014) AstraZeneca 2D 3D TSV
24513044 19 Identification of 1-{2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxy-1,2-dihydrospiro[indole-3,4'-piperidine]-1-yl]phenyl}-3-{5-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl}urea, a potent, efficacious and orally bioavailable P2Y(1) antagonist as an antiplatelet agent.EBI Bioorg Med Chem Lett 24: 1294-8 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24513042 22 Discovery of (1R,6S)-5-[4-(1-cyclobutyl-piperidin-4-yloxy)-phenyl]-3,4-diaza-bicyclo[4.1.0]hept-4-en-2-one (R,S-4a): histamine H(3) receptor inverse agonist demonstrating potent cognitive enhancing and wake promoting activity.EBI Bioorg Med Chem Lett 24: 1303-6 (2014) Teva Pharmaceutical Global R & D 2D 3D TSV
24512267 41 Design, synthesis, and structure-activity relationship of a novel series of GluN2C-selective potentiators.EBI J Med Chem 57: 2334-56 (2014) Emory University 2D 3D TSV
24512214 7 Discovery of potent Keap1-Nrf2 protein-protein interaction inhibitor based on molecular binding determinants analysis.EBI J Med Chem 57: 2736-45 (2014) China Pharmaceutical University 2D 3D TSV
24512187 69 Discovery of isoquinolinone indole acetic acids as antagonists of chemoattractant receptor homologous molecule expressed on Th2 cells (CRTH2) for the treatment of allergic inflammatory diseases.EBI J Med Chem 57: 1299-322 (2014) Pfizer Inc 2D 3D TSV
24508831 7 Synthesis, biological evaluation and molecular modeling study of novel tacrine-carbazole hybrids as potential multifunctional agents for the treatment of Alzheimer's disease.EBI Eur J Med Chem 75: 21-30 (2014) Khon Kaen University 2D 3D TSV
24508830 13 Integrating docking scores, interaction profiles and molecular descriptors to improve the accuracy of molecular docking: toward the discovery of novel Akt1 inhibitors.EBI Eur J Med Chem 75: 11-20 (2014) Zhejiang University 2D 3D TSV
24508142 26 Discovery of a novel series of indoline carbamate and indolinylpyrimidine derivatives as potent GPR119 agonists.EBI Bioorg Med Chem 22: 1649-66 (2014) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
24508141 30 Lead modification: amino acid appended indoles as highly effective 5-LOX inhibitors.EBI Bioorg Med Chem 22: 1642-8 (2014) Guru Nanak Dev University 2D 3D TSV
24508140 59 Design, synthesis, radiolabeling and in vivo evaluation of potential positron emission tomography (PET) radioligands for brain imaging of the 5-HT? receptor.EBI Bioorg Med Chem 22: 1736-50 (2014) Universit£ degli Studi di Bari A. Moro 2D 3D TSV
24508134 53 Syntheses and structure-activity relationships for some triazolyl p38? MAPK inhibitors.EBI Bioorg Med Chem Lett 24: 1352-7 (2014) Syncom B.V. 2D 3D TSV
24508133 4 Discovery of 2-(1H-indazol-1-yl)-thiazole derivatives as selective EP(1) receptor antagonists for treatment of overactive bladder by core structure replacement.EBI Bioorg Med Chem Lett 24: 1327-33 (2014) Asahi Kasei Pharma Corporation 2D 3D TSV
24508129 45 HTS followed by NMR based counterscreening. Discovery and optimization of pyrimidones as reversible and competitive inhibitors of xanthine oxidase.EBI Bioorg Med Chem Lett 24: 1315-21 (2014) AstraZeneca 2D 3D TSV
24508127 19 Switching cannabinoid response from CB(2) agonists to FAAH inhibitors.EBI Bioorg Med Chem Lett 24: 1322-6 (2014) University of Lille 2D 3D TSV
24507922 20 Discovery of a cyclopentylamine as an orally active dual NK1 receptor antagonist-serotonin reuptake transporter inhibitor.EBI Bioorg Med Chem Lett 24: 1611-4 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24507921 44 Synthesis, biological evaluation, hydration site thermodynamics, and chemical reactivity analysis ofa-keto substituted peptidomimetics for the inhibition of Plasmodium falciparum.EBI Bioorg Med Chem Lett 24: 1274-9 (2014) University of Mississippi 2D 3D TSV
24507919 45 3-Amino-N-adamantyl-3-methylbutanamide derivatives as 11ß-hydroxysteroid dehydrogenase 1 inhibitor.EBI Bioorg Med Chem Lett 24: 1421-5 (2014) Yonsei University 2D 3D TSV
24507918 68 Substituted benzene sulfonamides incorporating 1,3,5-triazinyl moieties potently inhibit human carbonic anhydrases II, IX and XII.EBI Bioorg Med Chem Lett 24: 1310-4 (2014) Shri G.S. Institute of Technology and Science 2D 3D TSV
24507827 5 Reaction intermediate analogues as bisubstrate inhibitors of pantothenate synthetase.EBI Bioorg Med Chem 22: 1726-35 (2014) Soochow University 2D 3D TSV
24506830 91 Identification of highly efficacious glucocorticoid receptor agonists with a potential for reduced clinical bone side effects.EBI J Med Chem 57: 1583-98 (2014) Boehringer Ingelheim Pharmaceuticals Inc 2D 3D TSV
24503274 7 Synthesis, [¹8F] radiolabeling, and evaluation of poly (ADP-ribose) polymerase-1 (PARP-1) inhibitors for in vivo imaging of PARP-1 using positron emission tomography.EBI Bioorg Med Chem 22: 1700-7 (2014) Washington University Saint Louis 2D 3D TSV
24502897 9 Toxicological and pharmacological evaluation, antioxidant, ADMET and molecular modeling of selected racemic chromenotacrines {11-amino-12-aryl-8,9,10,12-tetrahydro-7H-chromeno[2,3-b]quinolin-3-ols} for the potential prevention and treatment of Alzheimer's disease.EBI Eur J Med Chem 74: 491-501 (2014) Universidad Complutense de Madrid 2D 3D TSV
24502334 123 Modulators of the nuclear receptor retinoic acid receptor-related orphan receptor-¿ (ROR¿ or RORc).EBI J Med Chem 57: 5871-92 (2014) Genentech 2D 3D TSV
24499352 3 Bioactive limonoids from the leaves of Azaridachta indica (Neem).EBI J Nat Prod 77: 596-602 (2014) Universidad de Los Andes 2D 3D TSV
24497639 38 Affinity map of bromodomain protein 4 (BRD4) interactions with the histone H4 tail and the small molecule inhibitor JQ1.BDB J Biol Chem 289: 9304-19 (2014) Bayer HealthCare 2D 3D TSV
24495863 35 Structure activity relationship studies of 3-arylsulfonyl-pyrido[1,2-a]pyrimidin-4-imines as potent 5-HT? antagonists.EBI Bioorg Med Chem 22: 1782-90 (2014) Bristol-Myers Squibb Research and Development 2D 3D TSV
24495846 3 Lipoxygenase inhibitors derived from marine macroalgae.EBI Bioorg Med Chem Lett 24: 1383-5 (2014) Hokkaido University 2D 3D TSV
24495281 22 A facile one-pot synthesis of 2-arylamino-5-aryloxylalkyl-1,3,4-oxadiazoles and their urease inhibition studies.BDB Chem Biol Drug Des 84: 92-8 (2014) Mirpur University of Science and Technology (MUST) 2D 3D TSV
24495105 1 Study of marine natural products including resorcyclic acid lactones from Humicola fuscoatra that reactivate latent HIV-1 expression in an in vitro model of central memory CD4+ T cells.EBI J Nat Prod 77: 618-24 (2014) University of California 2D 3D TSV
24495018 77 Discovery and SAR of 6-alkyl-2,4-diaminopyrimidines as histamine H4 receptor antagonists.EBI J Med Chem 57: 2429-39 (2014) Janssen Research and Development LLC 2D 3D TSV
24494745 92 Elucidation of structural elements for selectivity across monoamine transporters: novel 2-[(diphenylmethyl)sulfinyl]acetamide (modafinil) analogues.EBI J Med Chem 57: 1000-13 (2014) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
24494061 35 Potent and selective inhibitors of CDPK1 fromEBI ACS Med Chem Lett 5: 40-44 (2014) University of Washington 2D 3D TSV
24491635 4 Chemical constituents of Plectranthus amboinicus and the synthetic analogs possessing anti-inflammatory activity.EBI Bioorg Med Chem 22: 1766-72 (2014) National Defense Medical Center, Taiwan 2D 3D TSV
24491459 5 Synthesis and biological evaluation of novel benzamide derivatives as potent smoothened antagonists.EBI Bioorg Med Chem Lett 24: 1426-31 (2014) Sichuan University 2D 3D TSV
24491171 44 Discovery of a potent stapled helix peptide that binds to the 70N domain of replication protein A.EBI J Med Chem 57: 2455-61 (2014) Vanderbilt University School of Medicine 2D 3D TSV
24491146 4 Imaging evaluation of 5HT2C agonists, [(11)C]WAY-163909 and [(11)C]vabicaserin, formed by Pictet-Spengler cyclization.EBI J Med Chem 57: 1488-94 (2014) Harvard Medical School 2D 3D TSV
24487236 2 Optimization, pharmacophore modeling and 3D-QSAR studies of sipholanes as breast cancer migration and proliferation inhibitors.EBI Eur J Med Chem 73: 310-24 (2014) University of Louisiana at Monroe 2D 3D TSV
24487191 6 Synthesis and evaluation of new coumarin derivatives as potential atypical antipsychotics.EBI Eur J Med Chem 74: 427-39 (2014) Huazhong University of Science and Technology 2D 3D TSV
24486414 48 Synthesis and in vitro urease inhibitory activity of N,N'-disubstituted thioureas.EBI Eur J Med Chem 74: 314-23 (2014) University Karachi 2D 3D TSV
24486134 4 Substituted piperidines as HDM2 inhibitors.EBI Bioorg Med Chem Lett 24: 1026-30 (2014) Merck Research Laboratories 2D 3D TSV
24486132 38 IV. Discovery of CXCR3 antagonists substituted with heterocycles as amide surrogates: improved PK, hERG and metabolic profiles.EBI Bioorg Med Chem Lett 24: 1085-8 (2014) Merck Research Laboratories 2D 3D TSV
24486131 16 Synthesis and receptor binding studies of some new arylcarboxamide derivatives as sigma-1 ligands.EBI Bioorg Med Chem Lett 24: 1021-5 (2014) University of Trieste 2D 3D TSV
24485123 43 Discovery of novel 6,7-disubstituted-4-phenoxyquinoline derivatives bearing 5-(aminomethylene)pyrimidine-2,4,6-trione moiety as c-Met kinase inhibitors.EBI Bioorg Med Chem 22: 1236-49 (2014) Shenyang Pharmaceutical University 2D 3D TSV
24485122 9 Synthesis of aminoalkyl-substituted coumarin derivatives as acetylcholinesterase inhibitors.EBI Bioorg Med Chem 22: 1262-7 (2014) Kyung Hee University 2D 3D TSV
24485121 12 A perylene derivative regulates HIF-1a and Stat3 signaling pathways.EBI Bioorg Med Chem 22: 1496-505 (2014) Baylor College of Medicine 2D 3D TSV
24484240 19 Activation and inhibition of thermosensitive TRP channels by voacangine, an alkaloid present in Voacanga africana, an African tree.EBI J Nat Prod 77: 285-97 (2014) University of Shizuoka 2D 3D TSV
24482730 4 Rational Design of Novel Pyridinol-Fused Ring Acetaminophen Analogues.EBI ACS Med Chem Lett 4: 710-714 (2013) Vanderbilt University 2D 3D TSV
24480359 25 Semi-synthesis of acylated triterpenes from olive-oil industry wastes for the development of anticancer and anti-HIV agents.EBI Eur J Med Chem 74: 278-301 (2014) Universidad de Granada 2D 3D TSV
24479418 39 Cytotoxic and protein kinase inhibiting nakijiquinones and nakijiquinols from the sponge Dactylospongia metachromia.EBI J Nat Prod 77: 218-26 (2014) Heinrich Heine Universit£t 2D 3D TSV
24476493 2 Study of the structural and dynamic effects in the FimH adhesin upona-d-heptyl mannose binding.EBI J Med Chem 57: 1416-27 (2014) Vrije Universiteit Brussel 2D 3D TSV
24472039 39 Simplified 2-aminoquinoline-based scaffold for potent and selective neuronal nitric oxide synthase inhibition.EBI J Med Chem 57: 1513-30 (2014) Northwestern University 2D 3D TSV
24472025 32 High-affinity small-molecule inhibitors of the menin-mixed lineage leukemia (MLL) interaction closely mimic a natural protein-protein interaction.EBI J Med Chem 57: 1543-56 (2014) University of Michigan 2D 3D TSV
24471976 3 Structural modifications of neuroprotective anti-Parkinsonian (-)-N6-(2-(4-(biphenyl-4-yl)piperazin-1-yl)-ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine (D-264): an effort toward the improvement of in vivo efficacy of the parent molecule.EBI J Med Chem 57: 1557-72 (2014) Wayne State University 2D 3D TSV
24471873 4 Discovery of (E)-3-((styrylsulfonyl)methyl)pyridine and (E)-2-((styrylsulfonyl)methyl)pyridine derivatives as anticancer agents: synthesis, structure-activity relationships, and biological activities.EBI J Med Chem 57: 2275-91 (2014) University of South Australia 2D 3D TSV
24471857 47 Euodenine A: a small-molecule agonist of human TLR4.EBI J Med Chem 57: 1252-75 (2014) Griffith University 2D 3D TSV
24471816 28 Bicyclic 1-hydroxy-2-oxo-1,2-dihydropyridine-3-carboxamide-containing HIV-1 integrase inhibitors having high antiviral potency against cells harboring raltegravir-resistant integrase mutants.EBI J Med Chem 57: 1573-82 (2014) National Cancer Institute-Frederick 2D 3D TSV
24471650 30 Novel inhibitors of human DOPA decarboxylase extracted from Euonymus glabra Roxb.BDB ACS Chem Biol 9: 897-903 (2014) Shanghai Center for Systems Biomedicine, School of Pharmacy, and State Key Laboratory of Microbial Metabolism & School of Life Sciences and Biotechnology 2D 3D TSV
24471526 8 Indoloditerpenes from a marine-derived fungal strain of Dichotomomyces cejpii with antagonistic activity at GPR18 and cannabinoid receptors.EBI J Nat Prod 77: 673-7 (2014) University of Bonn 2D 3D TSV
24471493 1 Octulosonic acid derivatives from Roman chamomile (Chamaemelum nobile) with activities against inflammation and metabolic disorder.EBI J Nat Prod 77: 509-15 (2014) University of Mississippi 2D 3D TSV
24471437 40 Synthesis, structure-activity relationships and brain uptake of a novel series of benzopyran inhibitors of insulin-regulated aminopeptidase.EBI J Med Chem 57: 1368-77 (2014) Monash Institute of Pharmaceutical Sciences 2D 3D TSV
24471412 12 Importance of sphingosine kinase (SphK) as a target in developing cancer therapeutics and recent developments in the synthesis of novel SphK inhibitors.EBI J Med Chem 57: 5509-24 (2014) Penn State Hershey Cancer Institute 2D 3D TSV
24470841 9 Discovery of potent and selective inhibitors ofEBI ACS Med Chem Lett 4: 1148-1151 (2013) Duquesne University 2D 3D TSV
24469112 20 Nonclassical antifolates, part 5. Benzodiazepine analogs as a new class of DHFR inhibitors: synthesis, antitumor testing and molecular modeling study.EBI Eur J Med Chem 74: 234-45 (2014) Future University 2D 3D TSV
24468632 25 Synthesis and biological evaluation of benzo[4,5]imidazo[1,2-c]pyrimidine and benzo[4,5]imidazo[1,2-a]pyrazine derivatives as anaplastic lymphoma kinase inhibitors.EBI Bioorg Med Chem 22: 1303-12 (2014) Universit£ de Lyon 2D 3D TSV
24466406 79 Bridged tetrahydroisoquinolines as selective NADPH oxidase 2 (Nox2) inhibitors.EBI Medchemcomm 4: 1085-1092 (2013) University of Pittsburgh 2D 3D TSV
24466405 213 The structure-activity relationships of L3MBTL3 inhibitors: flexibility of the dimer interface.EBI Medchemcomm 4: 1501-1507 (2013) University of North Carolina 2D 3D TSV
24463645 1 Synthesis, structure-activity relationship of iodinated-4-aryloxymethyl-coumarins as potential anti-cancer and anti-mycobacterial agents.EBI Eur J Med Chem 74: 225-33 (2014) P.C. Jabin Science College 2D 3D TSV
24462667 28 New class of azaheptapyridine FPT inhibitors as potential cancer therapy agents.EBI Bioorg Med Chem Lett 24: 1228-31 (2014) Merck Research Laboratories 2D 3D TSV
24462666 105 Discovery of 6-aryl-azabenzimidaoles that inhibit the TBK1/IKK-e kinases.EBI Bioorg Med Chem Lett 24: 1138-43 (2014) AstraZeneca 2D 3D TSV
24462665 30 Discovery of novel indazole derivatives as dual angiotensin II antagonists and partial PPAR¿ agonists.EBI Bioorg Med Chem Lett 24: 1098-103 (2014) GlaxoSmithKline 2D 3D TSV
24462664 58 Novel GlyT1 inhibitor chemotypes by scaffold hopping. Part 2: development of a [3.3.0]-based series and other piperidine bioisosteres.EBI Bioorg Med Chem Lett 24: 1062-6 (2014) Vanderbilt University Medical Center 2D 3D TSV
24462176 3 Identification of dihydrostilbenes in Pholidota chinensis as a new scaffold for GABAA receptor modulators.EBI Bioorg Med Chem 22: 1276-84 (2014) University of Basel 2D 3D TSV
24461562 1 Synthesis of a C-phosphonate mimic of maltose-1-phosphate and inhibition studies on Mycobacterium tuberculosis GlgE.EBI Bioorg Med Chem 22: 1404-11 (2014) The University of Toledo 2D 3D TSV
24461561 24 Ionic liquid mediated synthesis of mono- and bis-spirooxindole-hexahydropyrrolidines as cholinesterase inhibitors and their molecular docking studies.EBI Bioorg Med Chem 22: 1318-28 (2014) Universiti Sains Malaysia 2D 3D TSV
24461494 28 Synthesis and biological evaluation of a new series of ebselen derivatives as glutathione peroxidase (GPx) mimics and cholinesterase inhibitors against Alzheimer's disease.EBI Bioorg Med Chem 22: 1355-61 (2014) Sun Yat-sen University 2D 3D TSV
24461353 49 Design and synthesis of prostate cancer antigen-1 (PCA-1/ALKBH3) inhibitors as anti-prostate cancer drugs.EBI Bioorg Med Chem Lett 24: 1071-4 (2014) Hyogo University of Health Science 2D 3D TSV
24461352 51 Novel GlyT1 inhibitor chemotypes by scaffold hopping. Part 1: development of a potent and CNS penetrant [3.1.0]-based lead.EBI Bioorg Med Chem Lett 24: 1067-70 (2014) Vanderbilt University Medical Center 2D 3D TSV
24461299 82 Anilino-monoindolylmaleimides as potent and selective JAK3 inhibitors.EBI Bioorg Med Chem Lett 24: 1116-21 (2014) Fox Chase Chemical Diversity Center Inc 2D 3D TSV
24461298 38 Anion inhibition studies of two new ?-carbonic anhydrases from the bacterial pathogen Legionella pneumophila.EBI Bioorg Med Chem Lett 24: 1127-32 (2014) Kochi Medical School 2D 3D TSV
24461297 14 Rat intestinal sucrase inhibition of constituents from the roots of Rosa rugosa Thunb.EBI Bioorg Med Chem Lett 24: 1192-6 (2014) Chungnam National University 2D 3D TSV
24461292 14 Heterocyclic core analogs of a direct thrombin inhibitor.EBI Bioorg Med Chem Lett 24: 1111-5 (2014) Merck Research Laboratories 2D 3D TSV
24461289 46 Benzimidazole CB2 agonists: design, synthesis and SAR.EBI Bioorg Med Chem Lett 24: 1218-21 (2014) Merck Research Laboratories 2D 3D TSV
24457265 4 Novel lung adenocarcinoma and nuclear factor-kappa B (NF-¿B) inhibitors: synthesis and evaluation of lantadene congeners.EBI Eur J Med Chem 74: 135-44 (2014) Jaypee University of Information Technology 2D 3D TSV
24457093 12 Inhibition of I¿B kinase-ß and I¿B kinase-a by heterocyclic adamantyl arotinoids.EBI Bioorg Med Chem 22: 1285-302 (2014) Universidade de Vigo 2D 3D TSV
24457091 2 Degrasyn-like symmetrical compounds: possible therapeutic agents for multiple myeloma (MM-I).EBI Bioorg Med Chem 22: 1450-8 (2014) The University of Texas M.D. Anderson Cancer Center 2D 3D TSV
24457090 2 Synthesis and biological evaluation of all eight stereoisomers of DPP-IV inhibitor saxagliptin.EBI Bioorg Med Chem 22: 1383-93 (2014) China Pharmaceutical University 2D 3D TSV
24457088 34 Design and synthesis of N?-aryl-benzimidazoles 2-substituted as novel HIV-1 non-nucleoside reverse transcriptase inhibitors.EBI Bioorg Med Chem 22: 1459-67 (2014) Universit£ di Messina 2D 3D TSV
24456902 14 Synthesis and biological evaluation of novel pazopanib derivatives as antitumor agents.EBI Bioorg Med Chem Lett 24: 1108-10 (2014) Tianjin University 2D 3D TSV
24456578 1 Isochromans and ?-pyrones from Penicillium corylophilum.EBI J Nat Prod 77: 206-12 (2014) Carleton University 2D 3D TSV
24456490 33 Synthesis and anti-renal fibrosis activity of conformationally locked truncated 2-hexynyl-N(6)-substituted-(N)-methanocarba-nucleosides as A3 adenosine receptor antagonists and partial agonists.EBI J Med Chem 57: 1344-54 (2014) Seoul National University 2D 3D TSV
24456472 67 Discovery of AMG 232, a potent, selective, and orally bioavailable MDM2-p53 inhibitor in clinical development.EBI J Med Chem 57: 1454-72 (2014) Amgen Inc 2D 3D TSV
24456369 1 Drug design targeting protein-protein interactions (PPIs) using multiple ligand simultaneous docking (MLSD) and drug repositioning: discovery of raloxifene and bazedoxifene as novel inhibitors of IL-6/GP130 interface.EBI J Med Chem 57: 632-41 (2014) The Ohio State University 2D 3D TSV
24456288 2 De-novo designed library of benzoylureas as inhibitors of BCL-XL: synthesis, structural and biochemical characterization.EBI J Med Chem 57: 1323-43 (2014) The Walter and Eliza Hall Institute of Medical Research 2D 3D TSV
24456245 24 Design, synthesis, and biological evaluation of deuterated C-aryl glycoside as a potent and long-acting renal sodium-dependent glucose cotransporter 2 inhibitor for the treatment of type 2 diabetes.EBI J Med Chem 57: 1236-51 (2014) Fudan University 2D 3D TSV
24456116 105 Design, synthesis, and characterization ofa-ketoheterocycles that additionally target the cytosolic port Cys269 of fatty acid amide hydrolase.EBI J Med Chem 57: 1079-89 (2014) The Scripps Research Institute 2D 3D TSV
24454993 1 Discovery of?2 Adrenergic Receptor Ligands Using Biosensor Fragment Screening of Tagged Wild-Type Receptor.EBI ACS Med Chem Lett 4: 1005-1010 (2013) University of Dundee 2D 3D TSV
24450589 64 Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA.EBI J Med Chem 57: 1276-88 (2014) GlaxoSmithKline 2D 3D TSV
24447850 122 Discovery of substituted lactams as novel dual orexin receptor antagonists. Synthesis, preliminary structure-activity relationship studies and efforts towards improved metabolic stability and pharmacokinetic properties. Part 1.EBI Bioorg Med Chem Lett 24: 1201-8 (2014) Actelion Pharmaceuticals Ltd 2D 3D TSV
24447275 33 Potent and selective double-headed thiophene-2-carboximidamide inhibitors of neuronal nitric oxide synthase for the treatment of melanoma.EBI J Med Chem 57: 686-700 (2014) Northwestern University 2D 3D TSV
24447248 18 Structure-based optimization of tyrosine kinase inhibitor CLM3. Design, synthesis, functional evaluation, and molecular modeling studies.EBI J Med Chem 57: 1225-35 (2014) Universit£ di Pisa 2D 3D TSV
24446728 30 Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design.EBI J Med Chem 57: 849-60 (2014) Eli Lilly and Company 2D 3D TSV
24446664 6 2,4-Diaminothienopyrimidines as orally active antimalarial agents.EBI J Med Chem 57: 1014-22 (2014) University of Cape Town 2D 3D TSV
24445311 1 Benzofuran derivatives as a novel class of inhibitors of mTOR signaling.EBI Eur J Med Chem 74: 41-9 (2014) CNRS/Universit£ de Strasbourg 2D 3D TSV
24445310 25 Design, synthesis, biological evaluation, and comparative docking study of 1,2,4-triazolones as CB1 receptor selective antagonists.EBI Eur J Med Chem 74: 73-84 (2014) Zhejiang University 2D 3D TSV
24444054 70 Development of selective inhibitors for aldehyde dehydrogenases based on substituted indole-2,3-diones.EBI J Med Chem 57: 714-22 (2014) Indiana University School of Medicine 2D 3D TSV
24443569 4 The different inhibition mechanisms of OXA-1 and OXA-24 ß-lactamases are determined by the stability of active site carboxylated lysine.BDB J Biol Chem 289: 6152-64 (2014) Case Western Reserve University 2D 3D TSV
24440480 26 Insights into the mechanism of streptonigrin-induced protein arginine deiminase inactivation.EBI Bioorg Med Chem 22: 1362-9 (2014) The Scripps Research Institute-Florida 2D 3D TSV
24440479 4 Discovery of N-(3-((7H-purin-6-yl)thio)-4-hydroxynaphthalen-1-yl)-sulfonamide derivatives as novel protein kinase and angiogenesis inhibitors for the treatment of cancer: Synthesis and biological evaluation. Part III.EBI Bioorg Med Chem 22: 1487-95 (2014) Shandong University 2D 3D TSV
24440478 22 Design, synthesis, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase inhibitors.EBI Bioorg Med Chem 22: 1468-78 (2014) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
24440379 179 Substituted 4-phenyl-2-aminoimidazoles and 4-phenyl-4,5-dihydro-2-aminoimidazoles as voltage-gated sodium channel modulators.EBI Eur J Med Chem 74: 23-30 (2014) University of Ljubljana 2D 3D TSV
24440378 42 N-(3-Arylaminopyridin-4-yl)alkanesulfonamides as pyridine analogs of nimesulide: cyclooxygenases inhibition, anti-inflammatory studies and insight on metabolism.EBI Eur J Med Chem 74: 12-22 (2014) University of Li£ge 2D 3D TSV
24440299 48 Discovery and optimization of 5-(2-((1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)oxy)pyridin-4-yl)-1,2,4-oxadiazoles as novel gpr119 agonists.EBI Bioorg Med Chem Lett 24: 1133-7 (2014) Amgen Inc 2D 3D TSV
24440298 5 Virtual screening reveals allosteric inhibitors of the Toxoplasma gondii thymidylate synthase-dihydrofolate reductase.EBI Bioorg Med Chem Lett 24: 1232-5 (2014) Yale University 2D 3D TSV
24439847 24 Discovery of C-(1-aryl-cyclohexyl)-methylamines as selective, orally available inhibitors of dipeptidyl peptidase IV.EBI Bioorg Med Chem Lett 24: 731-6 (2014) Novartis Institutes for BioMedical Research 2D 3D TSV
24437735 16 Design, synthesis, and evaluation of conformationally restricted acetanilides as potent and selectiveß3 adrenergic receptor agonists for the treatment of overactive bladder.EBI J Med Chem 57: 1437-53 (2014) Merck and Co. 2D 3D TSV
24436777 8 Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein-Protein Interactions?EBI ACS Med Chem Lett 5: 23-28 (2014) University of Cambridge 2D 3D TSV
24433964 30 Structure-activity relationships of substituted oxyoxalamides as inhibitors of the human soluble epoxide hydrolase.EBI Bioorg Med Chem 22: 1163-75 (2014) Ehime University 2D 3D TSV
24433863 76 Heteroarylureas with spirocyclic diamine cores as inhibitors of fatty acid amide hydrolase.EBI Bioorg Med Chem Lett 24: 737-41 (2014) Janssen Research and Development LLC 2D 3D TSV
24433862 18 Discovery of MK-7655, aß-lactamase inhibitor for combination with Primaxin®.EBI Bioorg Med Chem Lett 24: 780-5 (2014) Merck Research Labs 2D 3D TSV
24433860 60 Identification of novel 7-amino-5-methyl-1,6-naphthyridin-2(1H)-one derivatives as potent PI3K/mTOR dual inhibitors.EBI Bioorg Med Chem Lett 24: 790-3 (2014) PKUCare Pharmaceutical R & D Center 2D 3D TSV
24433859 80 Fragment-based design of 3-aminopyridine-derived amides as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).EBI Bioorg Med Chem Lett 24: 954-62 (2014) Genentech 2D 3D TSV
24432909 13 Design of potent and selective inhibitors to overcome clinical anaplastic lymphoma kinase mutations resistant to crizotinib.EBI J Med Chem 57: 1170-87 (2014) Pfizer Inc 2D 3D TSV
24432870 42 Back pocket flexibility provides group II p21-activated kinase (PAK) selectivity for type I 1/2 kinase inhibitors.EBI J Med Chem 57: 1033-45 (2014) Genentech 2D 3D TSV
24432385 14 Sulfur incorporation generally improves Ricin inhibition in pterin-appended glycine-phenylalanine dipeptide mimics.EBI Bioorg Med Chem Lett 23: 6799-804 (2014) TBA 2D 3D TSV
24432384 7 Tissue transglutaminase: an emerging target for therapy and imaging.EBI Bioorg Med Chem Lett 23: 6528-43 (2014) TBA 2D 3D TSV
24428686 6 Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 2'-fluoro-3'-(substituted pyridinyl)-7-deschloroepibatidine analogues.EBI J Med Chem 57: 836-48 (2014) Research Triangle Institute 2D 3D TSV
24428639 56 Structure-based design of new dihydrofolate reductase antibacterial agents: 7-(benzimidazol-1-yl)-2,4-diaminoquinazolines.EBI J Med Chem 57: 651-68 (2014) Trius Therapeutics Inc 2D 3D TSV
24428186 10 Design, synthesis, and pharmacological evaluation of a novel series of pyridopyrazine-1,6-dione¿-secretase modulators.EBI J Med Chem 57: 1046-62 (2014) Pfizer Inc 2D 3D TSV
24424304 10 Recent progress in the identification of BRAF inhibitors as anti-cancer agents.EBI Eur J Med Chem 72: 170-205 (2014) Cairo University 2D 3D TSV
24424134 76 Diphenylpyridylethanamine (DPPE)-based aminoheterocycles as cholesteryl ester transfer protein inhibitors.EBI Bioorg Med Chem Lett 24: 860-4 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24422550 107 Optimization of brain penetrant 11ß-hydroxysteroid dehydrogenase type I inhibitors and in vivo testing in diet-induced obese mice.EBI J Med Chem 57: 970-86 (2014) AstraZeneca 2D 3D TSV
24422530 32 Development of novel potent orally bioavailable oseltamivir derivatives active against resistant influenza A.EBI J Med Chem 57: 759-69 (2014) Christian-Albrechts University of Kiel 2D 3D TSV
24422519 31 Aldosterone synthase inhibitors as promising treatments for mineralocorticoid dependent cardiovascular and renal diseases.EBI J Med Chem 57: 5011-22 (2014) Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) 2D 3D TSV
24418776 2 Inhibition of reverse transcriptase and Taq DNA polymerase by compounds possessing the coumarin framework.EBI Bioorg Med Chem Lett 24: 760-4 (2014) INTEQUI-CONICET 2D 3D TSV
24418775 72 A biochemical screen for GroEL/GroES inhibitors.EBI Bioorg Med Chem Lett 24: 786-9 (2014) Indiana University 2D 3D TSV
24418773 61 Design, synthesis, and SAR of a series of activated protein C (APC) inhibitors with selectivity against thrombin for the treatment of haemophilia.EBI Bioorg Med Chem Lett 24: 821-7 (2014) AstraZeneca 2D 3D TSV
24417609 4 Direct interaction of garcinol and related polyisoprenylated benzophenones of Garcinia cambogia fruits with the transcription factor STAT-1 as a likely mechanism of their inhibitory effect on cytokine signaling pathways.EBI J Nat Prod 77: 543-9 (2014) Universit£ degli Studi di Salerno 2D 3D TSV
24417566 43 Discovery of 8-cyclopentyl-2-[4-(4-methyl-piperazin-1-yl)-phenylamino]-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidine-6-carbonitrile (7x) as a potent inhibitor of cyclin-dependent kinase 4 (CDK4) and AMPK-related kinase 5 (ARK5).EBI J Med Chem 57: 578-99 (2014) Icahn School of Medicine at Mount Sinai 2D 3D TSV
24417533 63 Discovery and development of Janus kinase (JAK) inhibitors for inflammatory diseases.EBI J Med Chem 57: 5023-38 (2014) Pfizer Inc 2D 3D TSV
24417449 54 Rapid identification of Keap1-Nrf2 small-molecule inhibitors through structure-based virtual screening and hit-based substructure search.EBI J Med Chem 57: 1121-6 (2014) University of Minnesota 2D 3D TSV
24412498 15 Synthesis and assay of retro-a4ß1 integrin-targeting motifs.EBI Eur J Med Chem 73: 225-32 (2014) University of Bologna 2D 3D TSV
24412340 24 Synthesis, biological evaluation and molecular docking studies of benzyloxyacetohydroxamic acids as LpxC inhibitors.EBI Bioorg Med Chem 22: 1016-28 (2014) Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster 2D 3D TSV
24412339 26 Inhibition of tyrosinase activity by polyphenol compounds from Flemingia philippinensis roots.EBI Bioorg Med Chem 22: 1115-20 (2014) Gyeongsang National University 2D 3D TSV
24412111 70 Discovery of novel chiral diazepines as bombesin receptor subtype-3 (BRS-3) agonists with low brain penetration.EBI Bioorg Med Chem Lett 24: 750-5 (2014) Daiichi Sankyo Co., Ltd 2D 3D TSV
24412109 18 Successful reduction of off-target hERG toxicity by structural modification of a T-type calcium channel blocker.EBI Bioorg Med Chem Lett 24: 880-3 (2014) The Catholic University of Korea 2D 3D TSV
24412072 28 Structure-activity relationships of diamine inhibitors of cytochrome P450 (CYP) 3A as novel pharmacoenhancers. Part II: P2/P3 region and discovery of cobicistat (GS-9350).EBI Bioorg Med Chem Lett 24: 995-9 (2014) Gilead Sciences Inc 2D 3D TSV
24412070 167 Identification of a selective inhibitor of murine intestinal alkaline phosphatase (ML260) by concurrent ultra-high throughput screening against human and mouse isozymes.EBI Bioorg Med Chem Lett 24: 1000-4 (2014) Sanford-Burnham Medical Research Institute 2D 3D TSV
24412069 87 Identification of the 5,5-dioxo-7,8-dihydro-6H-thiopyrano[3,2-d]pyrimidine derivatives as highly selective PDE4B inhibitors.EBI Bioorg Med Chem Lett 24: 893-9 (2014) Kyushu University 2D 3D TSV
24412068 13 Structure-activity relationships of N-substituted 4-(trifluoromethoxy)benzamidines with affinity for GluN2B-containing NMDA receptors.EBI Bioorg Med Chem Lett 24: 828-30 (2014) The University of Sydney 2D 3D TSV
24412066 5 Discovery of pyrazolo[3,4-d]pyrimidine derivatives as GPR119 agonists.EBI Bioorg Med Chem Lett 24: 949-53 (2014) Hoffmann-La Roche Inc 2D 3D TSV
24411477 84 Carbamazepine derivatives with P2X4 receptor-blocking activity.EBI Bioorg Med Chem 22: 1077-88 (2014) University of Bonn 2D 3D TSV
24411201 150 Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-ß-hydroxysteroid dehydrogenase (AKR1C3).EBI Bioorg Med Chem 22: 967-77 (2014) University of Auckland 2D 3D TSV
24411199 58 Formosusin A, a novel specific inhibitor of mammalian DNA polymeraseß from the fungus Paecilomyces formosus.EBI Bioorg Med Chem 22: 1070-6 (2014) Kobe Gakuin University 2D 3D TSV
24411198 22 Synthesis and biological evaluation of novel oxadiazole derivatives: a new class of thymidine phosphorylase inhibitors as potential anti-tumor agents.EBI Bioorg Med Chem 22: 1008-15 (2014) Institute of Information Technology 2D 3D TSV
24411196 8 Synthesis, modelling and biological characterization of 3-substituted-1H-indoles as ligands of GluN2B-containing N-methyl-d-aspartate receptors.EBI Bioorg Med Chem 22: 1040-8 (2014) Universit£ di Messina 2D 3D TSV
24411125 36 Structure-activity relationships of diamine inhibitors of cytochrome P450 (CYP) 3A as novel pharmacoenhancers, part I: core region.EBI Bioorg Med Chem Lett 24: 989-94 (2014) Gilead Sciences Inc 2D 3D TSV
24411123 28 Synthesis and biological evaluation of novel tricyclic oxazine and oxazepine fused quinazolines. Part 1: erlotinib analogs.EBI Bioorg Med Chem Lett 24: 884-7 (2014) Jiangsu Aosaikang Pharmaceutical Co. Ltd 2D 3D TSV
24410637 86 Discovery of spirofused piperazine and diazepane amides as selective histamine-3 antagonists with in vivo efficacy in a mouse model of cognition.EBI J Med Chem 57: 733-58 (2014) AstraZeneca 2D 3D TSV
24406103 77 Effects of novel diarylpentanoid analogues of curcumin on secretory phospholipase A2 , cyclooxygenases, lipo-oxygenase, and microsomal prostaglandin E synthase-1.BDB Chem Biol Drug Des 83: 670-81 (2014) Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz, 50300, Kuala Lumpur, Malaysia 2D 3D TSV
24405707 100 Identification of potent CNS-penetrant thiazolidinones as novel CGRP receptor antagonists.EBI Bioorg Med Chem Lett 24: 845-9 (2014) Vertex Pharmaceuticals Inc 2D 3D TSV
24405703 72 4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable stearoyl-CoA desaturase-1 (SCD1) inhibitors: part 2. Pyridazine-based analogs.EBI Bioorg Med Chem Lett 24: 1437-41 (2014) Janssen Research and Development LLC 2D 3D TSV
24405701 30 Thiazolopyridone ureas as DNA gyrase B inhibitors: optimization of antitubercular activity and efficacy.EBI Bioorg Med Chem Lett 24: 870-9 (2014) AstraZeneca 2D 3D TSV
24405419 96 Fragment-based identification of amides derived from trans-2-(pyridin-3-yl)cyclopropanecarboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).EBI J Med Chem 57: 770-92 (2014) Genentech 2D 3D TSV
24405391 2 Mutagenesis studies of the 14 Å internal cavity of histone deacetylase 1: insights toward the acetate-escape hypothesis and selective inhibitor design.EBI J Med Chem 57: 642-50 (2014) Wayne State University 2D 3D TSV
24405333 69 Tetrahydroquinoline derivatives as potent and selective factor XIa inhibitors.EBI J Med Chem 57: 955-69 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24405213 60 Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 2. Leveraging structure-based drug design to identify analogues with improved pharmacokinetic profiles.EBI J Med Chem 57: 325-38 (2014) Amgen Inc 2D 3D TSV
24405172 35 Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 1. Discovery of a novel tool compound for in vivo proof-of-concept.EBI J Med Chem 57: 309-24 (2014) Amgen Inc 2D 3D TSV
24403173 12 Long residence times revealed by Aurora A kinase-targeting fluorescent probes derived from inhibitors MLN8237 and VX-689.BDB Chembiochem 15: 443-50 (2014) University of Tartu, Ravila 14A, 50411 Tartu (Estonia) 2D 3D TSV
24400806 101 Novel class of benzoic acid ester derivatives as potent PDE4 inhibitors for inhaled administration in the treatment of respiratory diseases.EBI J Med Chem 57: 793-816 (2014) Chiesi Farmaceutici S.p.A. 2D 3D TSV
24398385 18 Synthesis of novel indenoquinoxaline derivatives as potenta-glucosidase inhibitors.EBI Bioorg Med Chem 22: 1195-200 (2014) University of the Punjab 2D 3D TSV
24398383 24 7-Azaindole-1-carboxamides as a new class of PARP-1 inhibitors.EBI Bioorg Med Chem 22: 1089-103 (2014) Universit£ di Milano 2D 3D TSV
24398382 3 Linear propargylic alcohol functionality attached to the indazole-7-carboxamide as a JAK1-specific linear probe group.EBI Bioorg Med Chem 22: 1156-62 (2014) Konkuk University 2D 3D TSV
24398380 29 Targeting the Warburg Effect in cancer; relationships for 2-arylpyridazinones as inhibitors of the key glycolytic enzyme 6-phosphofructo-2-kinase/2,6-bisphosphatase 3 (PFKFB3).EBI Bioorg Med Chem 22: 1029-39 (2014) University of Auckland 2D 3D TSV
24398298 3 The benzimidazole based drugs show good activity against T. gondii but poor activity against its proposed enoyl reductase enzyme target.EBI Bioorg Med Chem Lett 24: 911-6 (2014) University of Leeds 2D 3D TSV
24397738 41 Discovery of 7-tetrahydropyran-2-yl chromans:ß-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloidß-protein (Aß) in the central nervous system.EBI J Med Chem 57: 878-902 (2014) Array BioPharma 2D 3D TSV
24397558 45 Discovery and preclinical characterization of the cyclopropylindolobenzazepine BMS-791325, a potent allosteric inhibitor of the hepatitis C virus NS5B polymerase.EBI J Med Chem 57: 1855-79 (2014) Bristol-Myers Squibb Research and Development 2D 3D TSV
24396570 9 Novel sphingosine-containing analogues selectively inhibit sphingosine kinase (SK) isozymes, induce SK1 proteasomal degradation and reduce DNA synthesis in human pulmonary arterial smooth muscle cells.EBI Medchemcomm 4: (2013) The City University of New York 2D 3D TSV
24393810 6 A novel series of 6-substituted 3-(pyrrolidin-1-ylmethyl)chromen-2-ones as selective monoamine oxidase (MAO) A inhibitors.EBI Eur J Med Chem 73: 177-86 (2014) NeuroSearch Sweden AB 2D 3D TSV
24393583 2 Danshen diversity defeating dementia.EBI Bioorg Med Chem Lett 24: 708-16 (2014) RMIT University 2D 3D TSV
24393580 6 Virtual screening and biochemical evaluation to identify new inhibitors of mammalian target of rapamycin (mTOR).EBI Bioorg Med Chem Lett 24: 835-8 (2014) Sejong University 2D 3D TSV
24393039 97 Synthesis and structure-activity relationship studies of 4-((2-hydroxy-3-methoxybenzyl)amino)benzenesulfonamide derivatives as potent and selective inhibitors of 12-lipoxygenase.EBI J Med Chem 57: 495-506 (2014) National Institutes of Health 2D 3D TSV
24392688 31 Discovery and preclinical characterization of 1-methyl-3-(4-methylpyridin-3-yl)-6-(pyridin-2-ylmethoxy)-1H-pyrazolo-[3,4-b]pyrazine (PF470): a highly potent, selective, and efficacious metabotropic glutamate receptor 5 (mGluR5) negative allosteric modulator.EBI J Med Chem 57: 861-77 (2014) Pfizer Inc 2D 3D TSV
24389511 25 Structure-based design, synthesis and biological evaluation of diphenylmethylamine derivatives as novel Akt1 inhibitors.EBI Eur J Med Chem 73: 167-76 (2014) Zhejiang University 2D 3D TSV
24389509 17 1,2,3,4-Tetrahydrobenzo[h][1,6]naphthyridines as a new family of potent peripheral-to-midgorge-site inhibitors of acetylcholinesterase: synthesis, pharmacological evaluation and mechanistic studies.EBI Eur J Med Chem 73: 141-52 (2014) Universitat de Barcelona 2D 3D TSV
24388993 76 Discovery of novel N-(5-(arylcarbonyl)thiazol-2-yl)amides and N-(5-(arylcarbonyl)thiophen-2-yl)amides as potent ROR¿t inhibitors.EBI Bioorg Med Chem 22: 692-702 (2014) GlaxoSmithKline 2D 3D TSV
24388834 3 Insights on pregnane-X-receptor modulation. Natural and semisynthetic steroids from Theonella marine sponges.EBI Eur J Med Chem 73: 126-34 (2014) Universit£ di Napoli"Federico II" 2D 3D TSV
24388807 12 Microwave assisted synthesis of naphthopyrans catalysed by silica supported fluoroboric acid as a new class of non purine xanthine oxidase inhibitors.EBI Bioorg Med Chem Lett 24: 495-500 (2014) Guru Nanak Dev University 2D 3D TSV
24388805 2 New natural products as new leads for antibacterial drug discovery.EBI Bioorg Med Chem Lett 24: 413-8 (2014) AstraZeneca 2D 3D TSV
24388690 48 Novel PARP-1 inhibitors based on a 2-propanoyl-3H-quinazolin-4-one scaffold.EBI Bioorg Med Chem Lett 24: 462-6 (2014) R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. 2D 3D TSV
24388688 1 Synthesis and evaluation of isoleucine derived angiotensin II AT(2) receptor ligands.EBI Bioorg Med Chem Lett 24: 476-9 (2014) Uppsala University 2D 3D TSV
24387981 8 Synthesis and evaluation of novel benzimidazole derivatives as sirtuin inhibitors with antitumor activities.EBI Bioorg Med Chem 22: 703-10 (2014) Universiti Sains Malaysia 2D 3D TSV
24387325 2 Design, synthesis, and biological evaluation of potent dual agonists of nuclear and membrane bile acid receptors.EBI J Med Chem 57: 937-54 (2014) Istituto Italiano di Tecnologia 2D 3D TSV
24387280 63 Identification of clinically viable quinolinol inhibitors of botulinum neurotoxin A light chain.EBI J Med Chem 57: 669-76 (2014) The Scripps Research Institute 2D 3D TSV
24387243 4 Discovery of a new binding site on human choline kinasea1: design, synthesis, crystallographic studies, and biological evaluation of asymmetrical bispyridinium derivatives.EBI J Med Chem 57: 507-15 (2014) Universidad de Granada 2D 3D TSV
24387221 150 Discovery and optimization of pyrimidone indoline amide PI3Kß inhibitors for the treatment of phosphatase and tensin homologue (PTEN)-deficient cancers.EBI J Med Chem 57: 903-20 (2014) Sanofi 2D 3D TSV
24387159 36 Selective non-nucleoside inhibitors of human DNA methyltransferases active in cancer including in cancer stem cells.EBI J Med Chem 57: 701-13 (2014) Sapienza University of Rome 2D 3D TSV
24387105 27 Selective ALDH3A1 inhibition by benzimidazole analogues increase mafosfamide sensitivity in cancer cells.EBI J Med Chem 57: 449-61 (2014) Indiana University School of Medicine 2D 3D TSV
24384549 24 Design, synthesis and evaluation of second generation MurF inhibitors based on a cyanothiophene scaffold.EBI Eur J Med Chem 73: 83-96 (2014) University of Ljubljana 2D 3D TSV
24383475 22 Structure-activity relationship analysis of imidazoquinolines with Toll-like receptors 7 and 8 selectivity and enhanced cytokine induction.EBI J Med Chem 57: 339-47 (2014) University of Minnesota 2D 3D TSV
24379401 5 A novel sirtuin 2 (SIRT2) inhibitor with p53-dependent pro-apoptotic activity in non-small cell lung cancer.BDB J Biol Chem 289: 5208-16 (2014) Universität Duisburg-Essen 2D 3D TSV
24378711 50 Specific features of HIV-1 integrase inhibition by bisphosphonate derivatives.EBI Eur J Med Chem 73: 73-82 (2014) Lomonosov Moscow State University 2D 3D TSV
24378710 18 Cannabinoid agonists showing BuChE inhibition as potential therapeutic agents for Alzheimer's disease.EBI Eur J Med Chem 73: 56-72 (2014) Instituto de Qu£mica M£dica (CSIC) 2D 3D TSV
24378707 45 [DOTA]Somatostatin-14 analogs and their (111)In-radioligands: effects of decreasing ring-size on sst1-5 profile, stability and tumor targeting.EBI Eur J Med Chem 73: 30-7 (2014) INRASTES 2D 3D TSV
24376907 17 Discovery of Inhibitors ofEBI ACS Med Chem Lett 4: (2013) Northern Illinois University 2D 3D TSV
24374347 19 Identification of small molecule sphingomyelin synthase inhibitors.EBI Eur J Med Chem 73: 1-7 (2014) Fudan University 2D 3D TSV
24374277 41 Design and synthesis of potential dual NK(1)/NK(3) receptor antagonists.EBI Bioorg Med Chem Lett 24: 510-4 (2014) Universit£ de Montr£al 2D 3D TSV
24374272 48 Systematic evaluation of amide bioisosteres leading to the discovery of novel and potent thiazolylimidazolidinone inhibitors of SCD1 for the treatment of metabolic diseases.EBI Bioorg Med Chem Lett 24: 520-5 (2014) Xenon Pharmaceuticals Inc 2D 3D TSV
24374271 56 Bifunctional thiosialosides inhibit influenza virus.EBI Bioorg Med Chem Lett 24: 636-43 (2014) Georgia State University 2D 3D TSV
24373842 1 Structurally diverse low molecular weight activators of the mammalian pre-mRNA 3' cleavage reaction.EBI Bioorg Med Chem 22: 834-41 (2014) The City University of New York 2D 3D TSV
24373735 48 Enhancing the pharmacodynamic profile of a class of selective COX-2 inhibiting nitric oxide donors.EBI Bioorg Med Chem 22: 772-86 (2014) Universit£ degli Studi di Roma "La Sapienza" 2D 3D TSV
24373724 47 Discovery of 1-oxa-4,9-diazaspiro[5.5]undecane-based trisubstituted urea derivatives as highly potent soluble epoxide hydrolase inhibitors and orally active drug candidates for treating of chronic kidney diseases.EBI Bioorg Med Chem Lett 24: 565-70 (2014) Toray Industries Inc 2D 3D TSV
24370012 47 Discovery of thiazolylpyridinone SCD1 inhibitors with preferential liver distribution and reduced mechanism-based adverse effects.EBI Bioorg Med Chem Lett 24: 526-31 (2014) Xenon Pharmaceuticals Inc 2D 3D TSV
24369842 62 Cholinesterase inhibitory activity versus aromatic core multiplicity: a facile green synthesis and molecular docking study of novel piperidone embedded thiazolopyrimidines.EBI Bioorg Med Chem 22: 906-16 (2014) Universiti Sains Malaysia 2D 3D TSV
24369839 18 Design and synthesis of 2-amino-6-(1H,3H-benzo[de]isochromen-6-yl)-1,3,5-triazines as novel Hsp90 inhibitors.EBI Bioorg Med Chem 22: 892-905 (2014) Chugai Pharmaceutical Co., Ltd 2D 3D TSV
24368209 7 A development of chimeric VEGFR2 TK inhibitor based on two ligand conformers from PDB: 1Y6A complex--medicinal chemistry consequences of a TKs analysis.EBI Eur J Med Chem 72: 146-59 (2014) Comenius University 2D 3D TSV
24368208 13 Inhibition of LOX by flavonoids: a structure-activity relationship study.EBI Eur J Med Chem 72: 137-45 (2014) Universidade do Porto 2D 3D TSV
24368028 4 Structural studies, homology modeling and molecular docking of novel non-competitive antagonists of GluK1/GluK2 receptors.EBI Bioorg Med Chem 22: 787-95 (2014) Medical University of Lublin 2D 3D TSV
24367923 108 Novel S1P(1) receptor agonists--part 3: from thiophenes to pyridines.EBI J Med Chem 57: 110-30 (2014) Actelion Pharmaceuticals Ltd. 2D 3D TSV
24365162 126 Ligands of the neuropeptide Y Y2 receptor.EBI Bioorg Med Chem Lett 24: 430-41 (2014) The Scripps Research Institute 2D 3D TSV
24365161 45 Synthesis and evaluation of 4-substituted piperidines and piperazines as balanced affinity ? opioid receptor (MOR) agonist/? opioid receptor (DOR) antagonist ligands.EBI Bioorg Med Chem Lett 24: 548-51 (2014) University of Michigan 2D 3D TSV
24365159 35 The synthesis and comparative receptor binding affinities of novel, isomeric pyridoindolobenzazepine scaffolds.EBI Bioorg Med Chem Lett 24: 576-9 (2014) University of Missouri 2D 3D TSV
24365158 9 Synthesis and activity of substituted heteroaromatics as positive allosteric modulators fora4ß2a5 nicotinic acetylcholine receptors.EBI Bioorg Med Chem Lett 24: 674-8 (2014) The Scripps Research Institute 2D 3D TSV
24364476 9 The marine cyanobacterial metabolite gallinamide A is a potent and selective inhibitor of human cathepsin L.EBI J Nat Prod 77: 92-9 (2014) University of California 2D 3D TSV
24363888 32 Synthesis and antibacterial evaluation of anziaic acid and analogues as topoisomerase I inhibitors.EBI Medchemcomm 4: (2013) University of Hawai'i at Hilo 2D 3D TSV
24363833 4 Bisubstrate Inhibitors of Biotin Protein Ligase inEBI ACS Med Chem Lett 4: (2013) University of Minnesota 2D 3D TSV
24362350 8 Amino and carboxy functionalized modified nucleosides: a potential class of inhibitors for angiogenin.BDB Bioorg Chem 52: 56-61 (2014) SASTRA University, Thanjavur, Tamil Nadu 613401, India 2D 3D TSV
24361187 12 Synthesis, docking simulation, biological evaluations and 3D-QSAR study of 5-Aryl-6-(4-methylsulfonyl)-3-(metylthio)-1,2,4-triazine as selective cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem 22: 865-73 (2014) Mazandaran University of Medical Sciences 2D 3D TSV
24360826 17 Synthesis/biological evaluation of hydroxamic acids and their prodrugs as inhibitors for Botulinum neurotoxin A light chain.EBI Bioorg Med Chem 22: 1208-17 (2014) The Scripps Research Institute 2D 3D TSV
24360824 3 4,4'-Unsymmetrically substituted 3,3'-biphenyl alpha helical proteomimetics as potential coactivator binding inhibitors.EBI Bioorg Med Chem 22: 917-26 (2014) Northeastern University 2D 3D TSV
24360604 60 Synthesis and structure-activity relationship of 2-adamantylmethyl tetrazoles as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1).EBI Bioorg Med Chem Lett 24: 654-60 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24360562 3 The effect of chain length and unsaturation on Mtb Dxr inhibition and antitubercular killing activity of FR900098 analogs.EBI Bioorg Med Chem Lett 24: 649-53 (2014) George Washington University 2D 3D TSV
24360557 6 Synthesis and evaluation of curcumin derivatives toward an inhibitor of beta-site amyloid precursor protein cleaving enzyme 1.EBI Bioorg Med Chem Lett 24: 685-90 (2014) Yamagata University 2D 3D TSV
24360556 66 Structure-activity relationship studies and biological characterization of human NAD(+)-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors.EBI Bioorg Med Chem Lett 24: 630-5 (2014) National Center for Advancing Translational Sciences 2D 3D TSV
24360554 3 Structure-activity relationship study of BACE1 inhibitors possessing a chelidonic or 2,6-pyridinedicarboxylic scaffold at the P(2) position.EBI Bioorg Med Chem Lett 24: 618-23 (2014) Kobe Gakuin University 2D 3D TSV
24359708 6 Methyl-substituted conformationally constrained rexinoid agonists for the retinoid X receptors demonstrate improved efficacy for cancer therapy and prevention.EBI Bioorg Med Chem 22: 178-85 (2013) University of Alabama at Birmingham 2D 3D TSV
24359706 1 Second-generation derivatives of the eukaryotic translation initiation inhibitor pateamine A targeting eIF4A as potential anticancer agents.EBI Bioorg Med Chem 22: 116-25 (2013) St. John's University 2D 3D TSV
24359257 10 Optimization of furin inhibitors to protect against the activation of influenza hemagglutinin H5 and Shiga toxin.EBI J Med Chem 57: 29-41 (2014) Universit£ de Sherbrooke 2D 3D TSV
24359185 4 Discovery of a rapidly metabolized, long-actingß(2) adrenergic receptor agonist with a short onset time incorporating a sulfone group suitable for once-daily dosing.EBI J Med Chem 57: 159-70 (2014) GlaxoSmithKline 2D 3D TSV
24359159 60 Discovery of 1-methyl-1H-imidazole derivatives as potent Jak2 inhibitors.EBI J Med Chem 57: 144-58 (2014) AstraZeneca 2D 3D TSV
24356970 37 Structure-guided development of specific pyruvate dehydrogenase kinase inhibitors targeting the ATP-binding pocket.BDB J Biol Chem 289: 4432-43 (2014) University of Texas Southwestern Medical Center 2D 3D TSV
24355348 1 4-Thiazolidinones: the advances continue?.EBI Eur J Med Chem 72: 52-77 (2014) Institute of Technology 2D 3D TSV
24355130 4 Identification of quinones as HER2 inhibitors for the treatment of trastuzumab resistant breast cancer.EBI Bioorg Med Chem Lett 24: 126-31 (2014) Xavier University of Louisiana 2D 3D TSV
24355129 21 The identification of AF38469: an orally bioavailable inhibitor of the VPS10P family sorting receptor Sortilin.EBI Bioorg Med Chem Lett 24: 177-80 (2013) H. Lundbeck A/S 2D 3D TSV
24354364 3 d-Thiolactones as prodrugs of thiol-based glutamate carboxypeptidase II (GCPII) inhibitors.EBI J Med Chem 57: 243-7 (2014) Johns Hopkins University 2D 3D TSV
24354345 34 Discovery of highly potent, selective, and brain-penetrant aminopyrazole leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors.EBI J Med Chem 57: 921-36 (2014) Genentech 2D 3D TSV
24354319 30 Exploring the determinants of trace amine-associated receptor 1's functional selectivity for the stereoisomers of amphetamine and methamphetamine.EBI J Med Chem 57: 378-90 (2014) Oregon Health & Science University 2D 3D TSV
24354316 1 Substituted 2-phenylimidazopyridines: a new class of drug leads for human African trypanosomiasis.EBI J Med Chem 57: 828-35 (2014) University of Washington 2D 3D TSV
24351031 41 Inhibition of 5-oxo-6,8,11,14-eicosatetraenoic acid-induced activation of neutrophils and eosinophils by novel indole OXE receptor antagonists.EBI J Med Chem 57: 364-77 (2014) McGill University 2D 3D TSV
24350995 46 Design, synthesis, and structure-activity relationship studies of a potent PACE4 inhibitor.EBI J Med Chem 57: 98-109 (2014) Universit£ de Sherbrooke 2D 3D TSV
24345481 14 Investigation of fluorinated and bifunctionalized 3-phenylchroman-4-one (isoflavanone) aromatase inhibitors.EBI Bioorg Med Chem 22: 126-34 (2013) Northern Kentucky University 2D 3D TSV
24345448 4 Azide-alkyne cycloaddition affording enzymatically tunable bisubstrate based inhibitors of histone acetyltransferase PCAF.EBI Bioorg Med Chem Lett 24: 113-6 (2013) Utrecht University 2D 3D TSV
24345446 133 Lactam based 7-amino suberoylamide hydroxamic acids as potent HDAC inhibitors.EBI Bioorg Med Chem Lett 24: 61-4 (2014) Universit£ degli Studi di Siena 2D 3D TSV
24345273 111 Design, synthesis, and biological activity of pyridopyrimidine scaffolds as novel PI3K/mTOR dual inhibitors.EBI J Med Chem 57: 613-31 (2014) Universit£ d'Orl£ans 2D 3D TSV
24345087 108 Novel S1P(1) receptor agonists--part 2: from bicyclo[3.1.0]hexane-fused thiophenes to isobutyl substituted thiophenes.EBI J Med Chem 57: 78-97 (2014) Actelion Pharmaceuticals Ltd. 2D 3D TSV
24342240 20 A tetradecapeptide somatostatin dicarba-analog: Synthesis, structural impact and biological activity.EBI Bioorg Med Chem Lett 24: 103-7 (2014) Institute for Research in Biomedicine (IRB Barcelona) 2D 3D TSV
24341381 2 Design of an amide N-glycoside derivative of ?-glucogallin: a stable, potent, and specific inhibitor of aldose reductase.EBI J Med Chem 57: 71-7 (2014) University of Colorado Anschutz Medical Campus 2D 3D TSV
24340169 11 The Discovery of Novel 10,11-Dihydro-5H-dibenz[b,f]azepine SIRT2 Inhibitors.EBI Medchemcomm (2012) Imperial College London 2D 3D TSV
24332658 38 Inhibition of carbonic anhydrases from the extremophilic bacteria Sulfurihydrogenibium yellostonense (SspCA) and S. azorense (SazCA) with a new series of sulfonamides incorporating aroylhydrazone-, [1,2,4]triazolo[3,4-b][1,3,4]thiadiazinyl- or 2-(cyanophenylmethylene)-1,3,4-thiadiazol-3(2H)-yl moietEBI Bioorg Med Chem 22: 141-7 (2014) Salman bin Abdulaziz University 2D 3D TSV
24332657 35 Identification of novel drug scaffolds for inhibition of SARS-CoV 3-Chymotrypsin-like protease using virtual and high-throughput screenings.EBI Bioorg Med Chem 22: 167-77 (2014) University of Illinois at Chicago 2D 3D TSV
24332652 1 Synthesis and biological evaluation of novel 2-amino-3-aroyl-4-neopentyl-5-substituted thiophene derivatives as allosteric enhancers of the A? adenosine receptor.EBI Bioorg Med Chem 22: 148-66 (2014) Universit£ di Ferrara 2D 3D TSV
24332628 12 Design, synthesis and antibacterial activities of 5-(pyrazin-2-yl)-4H-1,2,4-triazole-3-thiol derivatives containing Schiff base formation as FabH inhibitory.EBI Bioorg Med Chem Lett 24: 90-5 (2013) Nanjing University 2D 3D TSV
24332627 26 Synthesis and biological evaluation of cyclopentyl-triazolol-pyrimidine (CPTP) based P2Y12 antagonists.EBI Bioorg Med Chem Lett 24: 141-6 (2013) Shanghai Hengrui Pharmaceutical Co., Ltd 2D 3D TSV
24332624 12 Replacement of amide with bioisosteres led to a new series of potent adenosine A2A receptor antagonists.EBI Bioorg Med Chem Lett 24: 152-5 (2014) Soochow University 2D 3D TSV
24332496 8 Chemical synthesis and tyrosinase inhibitory activity of rhododendrol glycosides.EBI Bioorg Med Chem Lett 24: 122-5 (2014) Tokyo University of Agriculture and Technology 2D 3D TSV
24332494 16 Synthesis, biological evaluation and SAR of 3-benzoates of ingenol for treatment of actinic keratosis and non-melanoma skin cancer.EBI Bioorg Med Chem Lett 24: 54-60 (2014) LEO Pharma A/S 2D 3D TSV
24332493 33 The discovery of potent, orally bioavailable pyrazolo and triazolopyrimidine CXCR2 receptor antagonists.EBI Bioorg Med Chem Lett 24: 72-6 (2014) Novartis Institutes for BioMedical Research 2D 3D TSV
24332492 16 Rationally designed hybrid molecules with appreciable COX-2 inhibitory and anti-nociceptive activities.EBI Bioorg Med Chem Lett 24: 77-82 (2014) Guru Nanak Dev University 2D 3D TSV
24332491 24 Discovery and optimization of N-(3-(1,3-dioxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-4-yloxy)phenyl)benzenesulfonamides as novel GPR119 agonists.EBI Bioorg Med Chem Lett 24: 156-60 (2013) Amgen Inc 2D 3D TSV
24332488 11 Correlation between chemotype-dependent binding conformations of HSP90a/ß and isoform selectivity-Implications for the structure-based design of HSP90a/ß selective inhibitors for treating neurodegenerative diseases.EBI Bioorg Med Chem Lett 24: 204-8 (2013) Vertex Pharmaceuticals Inc 2D 3D TSV
24332487 46 Synthesis and SAR of novel isoxazoles as potent c-jun N-terminal kinase (JNK) inhibitors.EBI Bioorg Med Chem Lett 24: 161-4 (2014) The Scripps Research Institute 2D 3D TSV
24332486 35 Structure activity relationships of fused bicyclic and urea derivatives of spirocyclic compounds as potent CCR1 antagonists.EBI Bioorg Med Chem Lett 24: 108-12 (2013) AstraZeneca 2D 3D TSV
24332093 27 (E)-Alkenes as replacements of amide bonds: development of novel and potent acyclic CGRP receptor antagonists.EBI Bioorg Med Chem Lett 24: 258-61 (2013) Merck & Co. 2D 3D TSV
24332092 6 Synthesis and biological properties of thiazole-analogues of pyochelin, a siderophore of Pseudomonas aeruginosa.EBI Bioorg Med Chem Lett 24: 132-5 (2013) University of Strasburg 2D 3D TSV
24332090 6 Synthesis and biological evaluation of the pirfenidone derivatives as antifibrotic agents.EBI Bioorg Med Chem Lett 24: 220-3 (2013) Zhejiang Academy of Medical Sciences 2D 3D TSV
24332089 35 Imidazole-derived agonists for the neurotensin 1 receptor.EBI Bioorg Med Chem Lett 24: 262-7 (2013) Sanford-Burnham Medical Research Institute 2D 3D TSV
24332088 79 Modulating the interaction between CDK2 and cyclin A with a quinoline-based inhibitor.EBI Bioorg Med Chem Lett 24: 199-203 (2013) Merck Research Laboratories 2D 3D TSV
24331758 7 Involvement of apoptosis and autophagy in the death of RPMI 8226 multiple myeloma cells by two enantiomeric sigma receptor ligands.EBI Bioorg Med Chem 22: 221-33 (2013) University of Greifswald 2D 3D TSV
24331756 9 Pyrrolizines: Promising scaffolds for anticancer drugs.EBI Bioorg Med Chem 22: 46-53 (2013) Beni-Suef University 2D 3D TSV
24330598 27 Design, synthesis and biological evaluation of pyridin-3-yl pyrimidines as potent Bcr-Abl inhibitors.BDB Chem Biol Drug Des 83: 592-9 (2014) Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China 2D 3D TSV
24328302 94 Protein kinase and HDAC inhibitors from the endophytic fungus Epicoccum nigrum.EBI J Nat Prod 77: 49-56 (2014) Heinrich-Heine-Universit£t D£sseldorf 2D 3D TSV
24328113 9 Synthesis and evaluation of analogues of N-phthaloyl-l-tryptophan (RG108) as inhibitors of DNA methyltransferase 1.EBI J Med Chem 57: 421-34 (2014) Universit£ Pierre et Marie Curie-Paris 6 2D 3D TSV
24328103 9 Discovery of a non-estrogenic irreversible inhibitor of 17?-hydroxysteroid dehydrogenase type 1 from 3-substituted-16?-(m-carbamoylbenzyl)-estradiol derivatives.EBI J Med Chem 57: 204-22 (2014) Laval University 2D 3D TSV
24327656 9 The molecular chaperone Hsp70 activates protein phosphatase 5 (PP5) by binding the tetratricopeptide repeat (TPR) domain.BDB J Biol Chem 289: 2908-17 (2014) University of Michigan 2D 3D TSV
24326277 11 Design, synthesis and biological evaluation of ezrin inhibitors targeting metastatic osteosarcoma.EBI Bioorg Med Chem 22: 478-87 (2013) George Mason University 2D 3D TSV
24326276 63 Comparative molecular field analysis of fenoterol derivatives interacting with an agonist-stabilized form of the ??-adrenergic receptor.EBI Bioorg Med Chem 22: 234-46 (2014) Medical University of Lublin 2D 3D TSV
24325601 74 Pan-histone demethylase inhibitors simultaneously targeting Jumonji C and lysine-specific demethylases display high anticancer activities.EBI J Med Chem 57: 42-55 (2014) Sapienza University of Rome 2D 3D TSV
24325578 84 Synthesis and characterization of a novel series of agonist compounds as potential radiopharmaceuticals for imaging dopamine D2/3 receptors in their high-affinity state.EBI J Med Chem 57: 391-410 (2014) University of Amsterdam 2D 3D TSV
24324854 4 Exploring novel strategies for AIDS protozoal pathogens: ?-helix mimetics targeting a key allosteric protein-protein interaction in EBI Medchemcomm 4: (2013) Yale University 2D 3D TSV
24321833 95 A novel tamoxifen derivative, ridaifen-F, is a nonpeptidic small-molecule proteasome inhibitor.EBI Eur J Med Chem 71: 290-305 (2014) Institute of Bio-Science and Technology 2D 3D TSV
24321832 38 Synthesis and evaluation of the antiparasitic activity of bis-(arylmethylidene) cycloalkanones.EBI Eur J Med Chem 71: 282-9 (2014) Universidade Federal de Minas Gerais 2D 3D TSV
24321345 11 Preparation and evaluation of deconstruction analogues of 7-deoxykalafungin as AKT kinase inhibitors.EBI Bioorg Med Chem Lett 24: 271-4 (2013) Virginia Commonwealth University 2D 3D TSV
24321344 16 Asymmetric synthesis and receptor activity of chiral simplified resiniferatoxin (sRTX) analogues as transient receptor potential vanilloid 1 (TRPV1) ligands.EBI Bioorg Med Chem Lett 24: 382-5 (2013) Seoul National University 2D 3D TSV
24320998 41 Discovery of a novel class of dimeric Smac mimetics as potent IAP antagonists resulting in a clinical candidate for the treatment of cancer (AZD5582).EBI J Med Chem 56: 9897-919 (2013) AstraZeneca 2D 3D TSV
24320749 3 Mechanistic characterization of a 2-thioxanthine myeloperoxidase inhibitor and selectivity assessment utilizing click chemistry--activity-based protein profiling.BDB Biochemistry 52: 9187-201 (2013) Pfizer Inc 2D 3D TSV
24316669 21 Design, synthesis, and biological evaluation of novel piperidine-4-carboxamide derivatives as potent CCR5 inhibitors.EBI Eur J Med Chem 71: 259-66 (2014) Zhejiang University 2D 3D TSV
24316668 34 Discovery of a benzimidazole series of ADAMTS-5 (aggrecanase-2) inhibitors by scaffold hopping.EBI Eur J Med Chem 71: 250-8 (2014) Asahi Kasei Pharma Corporation 2D 3D TSV
24316352 27 Synthesis, modification and docking studies of 5-sulfonyl isatin derivatives as SARS-CoV 3C-like protease inhibitors.EBI Bioorg Med Chem 22: 292-302 (2014) Tianjin University of Science and Technology 2D 3D TSV
24316025 17 Synthesis and biological evaluation of a series of aminoalkyl-tetralones and tetralols as dual dopamine/serotonin ligands.EBI Eur J Med Chem 71: 237-49 (2014) Universidad de Santiago de Compostela 2D 3D TSV
24315194 18 Flexible and biomimetic analogs of triple uptake inhibitor 4-((((3S,6S)-6-benzhydryltetrahydro-2H-pyran-3-yl)amino)methyl)phenol: Synthesis, biological characterization, and development of a pharmacophore model.EBI Bioorg Med Chem 22: 311-24 (2013) Wayne State University 2D 3D TSV
24315192 26 Biphenyl derivatives incorporating urea unit as novel VEGFR-2 inhibitors: design, synthesis and biological evaluation.EBI Bioorg Med Chem 22: 277-84 (2014) Xi'an Jiaotong University 2D 3D TSV
24315190 21 Probing the human estrogen receptor-? binding requirements for phenolic mono- and di-hydroxyl compounds: a combined synthesis, binding and docking study.EBI Bioorg Med Chem 22: 303-10 (2014) Marquette University 2D 3D TSV
24315189 10 Synthesis of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazines that have antibacterial activity and also inhibit inorganic pyrophosphatase.EBI Bioorg Med Chem 22: 406-18 (2013) Purdue University 2D 3D TSV
24314880 60 Purinergic receptor P2X?: a novel target for anti-inflammatory therapy.EBI Bioorg Med Chem 22: 54-88 (2014) Punjabi University 2D 3D TSV
24314397 7 Inhibition of serine and proline racemases by substrate-product analogues.EBI Bioorg Med Chem Lett 24: 390-3 (2013) Dalhousie University 2D 3D TSV
24314394 40 Sulfonamide inhibition studies of thed-carbonic anhydrase from the diatom Thalassiosira weissflogii.EBI Bioorg Med Chem Lett 24: 275-9 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
24313801 41 Computer-guided approach to access the anti-influenza activity of licorice constituents.EBI J Nat Prod 77: 563-70 (2014) University of Innsbruck 2D 3D TSV
24313754 43 [1,2,4]triazolo[4,3-a]phthalazines: inhibitors of diverse bromodomains.EBI J Med Chem 57: 462-76 (2014) University of Oxford 2D 3D TSV
24312699 14 Analogs of the Allosteric Heat Shock Protein 70 (Hsp70) Inhibitor, MKT-077, as Anti-Cancer Agents.EBI ACS Med Chem Lett 4: (2013) University of California San Francisco 2D 3D TSV
24308675 2 Phenylspirodrimanes with anti-HIV activity from the sponge-derived fungus Stachybotrys chartarum MXH-X73.EBI J Nat Prod 76: 2298-306 (2013) Ocean University of China 2D 3D TSV
24308627 19 Design, synthesis, and biological activity of novel dicoumarol glucagon-like peptide 1 conjugates.EBI J Med Chem 56: 9955-68 (2013) China Pharmaceutical University 2D 3D TSV
24304424 5 Novel pyridazinone inhibitors for vascular adhesion protein-1 (VAP-1): old target-new inhibition mode.EBI J Med Chem 56: 9837-48 (2013) £bo Akademi University 2D 3D TSV
24304387 48 Structure-activity relationships of chromone derivatives toward the mechanism of interaction with and inhibition of breast cancer resistance protein ABCG2.EBI J Med Chem 56: 9849-60 (2013) BMSSI UMR 5086 CNRS/Universit£ Lyon 1 2D 3D TSV
24304348 30 Synthesis and structure-activity relationship of 3-hydroxypyridine-2-thione-based histone deacetylase inhibitors.EBI J Med Chem 56: 9969-81 (2013) Georgia Institute of Technology 2D 3D TSV
24304323 38 Targeting low-druggability bromodomains: fragment based screening and inhibitor design against the BAZ2B bromodomain.EBI J Med Chem 56: 10183-7 (2013) University of Cambridge 2D 3D TSV
24304238 22 8-Substituted O(6)-cyclohexylmethylguanine CDK2 inhibitors: using structure-based inhibitor design to optimize an alternative binding mode.EBI J Med Chem 57: 56-70 (2014) University of Oxford 2D 3D TSV
24304219 7 Structure-activity relationship of adenosine 5'-diphosphoribose at the transient receptor potential melastatin 2 (TRPM2) channel: rational design of antagonists.EBI J Med Chem 56: 10079-102 (2013) University of Bath 2D 3D TSV
24304150 18 Two analogues of fenarimol show curative activity in an experimental model of Chagas disease.EBI J Med Chem 56: 10158-70 (2013) Epichem Pty Ltd. 2D 3D TSV
24300919 55 Combining the tail and the ring approaches for obtaining potent and isoform-selective carbonic anhydrase inhibitors: solution and X-ray crystallographic studies.EBI Bioorg Med Chem 22: 334-40 (2014) Universit£ degli Studi di Firenze 2D 3D TSV
24300918 9 New insights into molecular recognition of 1,1-bisphosphonic acids by farnesyl diphosphate synthase.EBI Bioorg Med Chem 22: 398-405 (2013) Universidad de Buenos Aires 2D 3D TSV
24300734 12 Design, synthesis and evaluation of dual pharmacologyß2-adrenoceptor agonists and PDE4 inhibitors.EBI Bioorg Med Chem Lett 24: 249-53 (2013) Sun Yat-sen University 2D 3D TSV
24299557 9 The human liver fatty acid binding protein T94A variant alters the structure, stability, and interaction with fibrates.BDB Biochemistry 52: 9347-57 (2013) Texas A&M University 2D 3D TSV
24299503 17 Development of 1,8-naphthalimides as clathrin inhibitors.EBI J Med Chem 57: 131-43 (2014) The University of Newcastle 2D 3D TSV
24299463 26 Design, synthesis, and evaluation of hydroxamic acid derivatives as promising agents for the management of Chagas disease.EBI J Med Chem 57: 298-308 (2014) Instituto Militar de Engenharia 2D 3D TSV
24296013 3 Synthesis and anticancer activities of thieno[3,2-d]pyrimidines as novel HDAC inhibitors.EBI Bioorg Med Chem 22: 358-65 (2014) Nantong University 2D 3D TSV
24296012 19 Synthesis and SAR study of a novel series of dopamine receptor agonists.EBI Bioorg Med Chem 22: 381-92 (2013) University of Copenhagen 2D 3D TSV
24295787 5 Novel di-tertiary-butyl phenylhydrazones as dual cyclooxygenase-2/5-lipoxygenase inhibitors: synthesis, COX/LOX inhibition, molecular modeling, and insights into their cytotoxicities.EBI Bioorg Med Chem Lett 24: 317-24 (2013) Medical University of South Carolina 2D 3D TSV
24295325 17 Discrimination of potent inhibitors of Toxoplasma gondii enoyl-acyl carrier protein reductase by a thermal shift assay.BDB Biochemistry 52: 9155-66 (2013) Johns Hopkins Bloomberg School of Public Health 2D 3D TSV
24295046 1 Design, synthesis, and biological evaluation of 1-phenylpyrazolo[3,4-e]pyrrolo[3,4-g]indolizine-4,6(1H,5H)-diones as new glycogen synthase kinase-3ß inhibitors.EBI J Med Chem 56: 10066-78 (2013) Universit£ di Napoli Federico II 2D 3D TSV
24294985 42 Medicinal chemistry of inhibitors of 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1).EBI J Med Chem 57: 4466-86 (2014) AstraZeneca 2D 3D TSV
24294969 2 Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.EBI J Med Chem 56: 10003-15 (2013) Amgen Inc 2D 3D TSV
24294923 65 Piperazine oxadiazole inhibitors of acetyl-CoA carboxylase.EBI J Med Chem 56: 10132-41 (2013) Amgen Inc 2D 3D TSV
24294411 3 Small-Molecule Allosteric Activation of Human Glucokinase in the Absence of Glucose.EBI ACS Med Chem Lett 4: (2013) Florida State University 2D 3D TSV
24292338 41 2-(1H-Pyrazol-1-yl)acetic acids as chemoattractant receptor-homologous molecule expressed on Th2 lymphocytes (CRTh2) antagonists.EBI Eur J Med Chem 71: 168-84 (2014) Rhône-Poulenc Rorer 2D 3D TSV
24291567 154 Carbonic anhydrase inhibitors. Synthesis, and molecular structure of novel series N-substituted N'-(2-arylmethylthio-4-chloro-5-methylbenzenesulfonyl)guanidines and their inhibition of human cytosolic isozymes I and II and the transmembrane tumor-associated isozymes IX and XII.EBI Eur J Med Chem 71: 135-47 (2014) Medical University of Gdansk 2D 3D TSV
24291042 4 Synthesis, anti-HIV activity, integrase enzyme inhibition and molecular modeling of catechol, hydroquinone and quinol labdane analogs.EBI Bioorg Med Chem Lett 24: 302-7 (2014) Mumbai University 2D 3D TSV
24291040 5 Synthesis and preliminary evaluation of a new fluorine-18 labelled triazine derivative for PET imaging of cannabinoid CB2 receptor.EBI Bioorg Med Chem Lett 24: 283-7 (2014) Sanofi R&D 2D 3D TSV
24290064 44 Synthesis and pharmacological characterization of 1-benzyl-4-aminoindole-based thyroid hormone receptorß agonists.EBI Bioorg Med Chem 22: 488-98 (2013) Sanwa Kagaku Kenkyusho Co., Ltd 2D 3D TSV
24290063 15 From NMDA receptor antagonists to discovery of selectives2 receptor ligands.EBI Bioorg Med Chem 22: 393-7 (2013) Universit£ di Messina 2D 3D TSV
24290062 142 Small molecule inhibitors of anthrax lethal factor toxin.EBI Bioorg Med Chem 22: 419-34 (2013) Microbiotix Inc 2D 3D TSV
24287560 61 Synthesis, biological activity and structure-activity relationships of new benzoic acid-based protein tyrosine phosphatase inhibitors endowed with insulinomimetic effects in mouse C2C12 skeletal muscle cells.EBI Eur J Med Chem 71: 112-27 (2014) University of Messina 2D 3D TSV
24287559 36 Structure-based screening for the discovery of new carbonic anhydrase VII inhibitors.EBI Eur J Med Chem 71: 105-11 (2014) Universit£ di Messina 2D 3D TSV
24287382 16 Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations.EBI Bioorg Med Chem Lett 24: 360-6 (2013) AstraZeneca 2D 3D TSV
24286762 34 Fragment based discovery of arginine isosteres through REPLACE: towards non-ATP competitive CDK inhibitors.EBI Bioorg Med Chem 22: 616-22 (2013) University of South Carolina 2D 3D TSV
24286207 30 Controlled-deactivation cannabinergic ligands.EBI J Med Chem 56: 10142-57 (2013) Northeastern University 2D 3D TSV
24280068 4 Imatinib analogs as potential agents for PET imaging of Bcr-Abl and c-KIT expression at a kinase level.EBI Bioorg Med Chem 22: 623-32 (2013) The University of Texas M.D. Anderson Cancer Center 2D 3D TSV
24279990 14 Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors.EBI Bioorg Med Chem Lett 24: 337-43 (2013) Forma Therapeutics Inc 2D 3D TSV
24279689 56 Prostanoid receptor EP2 as a therapeutic target.EBI J Med Chem 57: 4454-65 (2014) Emory University 2D 3D TSV
24275349 3 Design, synthesis and preliminary SAR studies of novel N-arylmethyl substituted piperidine-linked aniline derivatives as potent HIV-1 NNRTIs.EBI Bioorg Med Chem 22: 633-42 (2014) Shandong University 2D 3D TSV
24275248 6 Synthesis and biological evaluation of new epalrestat analogues as aldose reductase inhibitors (ARIs).EBI Eur J Med Chem 71: 53-66 (2014) CSIR-Indian Institute of Chemical Technology 2D 3D TSV
24274468 2 2-Aminonicotinic acid 1-oxides are chemically stable inhibitors of quinolinic acid synthesis in the mammalian brain: a step toward new antiexcitotoxic agents.EBI J Med Chem 56: 9482-95 (2014) Universit£ degli Studi di Parma 2D 3D TSV
24274400 28 Scaffold ranking and positional scanning utilized in the discovery of nAChR-selective compounds suitable for optimization studies.EBI J Med Chem 56: 10103-17 (2013) Torrey Pines Institute for Molecular Studies 2D 3D TSV
24273637 17 Homodimers of the Antiviral Abacavir as Modulators of P-glycoprotein Transport in Cell Culture: Probing Tether Length.EBI Medchemcomm 4: (2013) Purdue University 2D 3D TSV
24269986 12 Design, synthesis, molecular docking studies and in vitro screening of ethyl 4-(3-benzoylthioureido) benzoates as urease inhibitors.BDB Bioorg Chem 52: 1-7 (2014) Quaid-I-Azam University, Islamabad, Pakistan. 2D 3D TSV
24269511 17 Novel 2-chloro-4-anilino-quinazoline derivatives as EGFR and VEGFR-2 dual inhibitors.EBI Eur J Med Chem 71: 1-14 (2014) Federal University of Rio de Janeiro 2D 3D TSV
24269482 35 Identification of clinical candidates from the benzazepine class of histamine H3 receptor antagonists.EBI Bioorg Med Chem Lett 23: 6890-6 (2013) GlaxoSmithKline 2D 3D TSV
24269480 22 Potent P2Y1 urea antagonists bearing various cyclic amine scaffolds.EBI Bioorg Med Chem Lett 23: 6825-8 (2013) Bristol-Myers Squibb Co. 2D 3D TSV
24269479 11 (S)-4-Trimethylsilyl-3-butyn-2-ol as an auxiliary for stereocontrolled synthesis of salinosporamide analogs with modifications at positions C2 and C5.EBI Bioorg Med Chem Lett 23: 6905-10 (2013) The Pennsylvania State University 2D 3D TSV
24269162 84 NAD-based inhibitors with anticancer potential.EBI Bioorg Med Chem Lett 24: 332-6 (2014) University of Minnesota 2D 3D TSV
24269123 1 Evaluation of benzoic acid derivatives as sirtuin inhibitors.EBI Bioorg Med Chem Lett 24: 349-52 (2013) San Francisco State University 2D 3D TSV
24268551 28 Synthesis, antioxidant capacity, and structure-activity relationships of tri-O-methylnorbergenin analogues on tyrosinase inhibition.EBI Bioorg Med Chem Lett 23: 6580-4 (2013) Kinki University 2D 3D TSV
24266880 12 Structure-activity relationship (SAR) optimization of 6-(indol-2-yl)pyridine-3-sulfonamides: identification of potent, selective, and orally bioavailable small molecules targeting hepatitis C (HCV) NS4B.EBI J Med Chem 57: 2121-35 (2014) PTC Therapeutics, Inc. 2D 3D TSV
24266771 3 Bisphenol A binds to Ras proteins and competes with guanine nucleotide exchange: implications for GTPase-selective antagonists.EBI J Med Chem 56: 9664-72 (2014) Ruhr University of Bochum 2D 3D TSV
24266709 1 Novel S1P1 receptor agonists--part 1: From pyrazoles to thiophenes.EBI J Med Chem 56: 9737-55 (2014) Actelion Pharmaceuticals Ltd 2D 3D TSV
24262888 105 The most effective influence of 17-(3-ethoxypropyl) substituent on the binding affinity and the agonistic activity in KNT-127 derivatives, ? opioid receptor agonists.EBI Bioorg Med Chem 21: 7628-47 (2013) Kitasato University 2D 3D TSV
24262887 11 Discovery and characterisation of hydrazines as inhibitors of the immune suppressive enzyme, indoleamine 2,3-dioxygenase 1 (IDO1).EBI Bioorg Med Chem 21: 7595-603 (2013) University of Auckland 2D 3D TSV
24262886 23 Discovery of N-{5-[3-(3-hydroxypiperidin-1-yl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-yl}acetamide (TASP0415914) as an orally potent phosphoinositide 3-kinase¿ inhibitor for the treatment of inflammatory diseases.EBI Bioorg Med Chem 21: 7578-83 (2013) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
24262884 22 Synthesis, docking and pharmacological evaluation of novel homo- and hetero-bis 3-piperazinylpropylindole derivatives at SERT and 5-HT1A receptor.EBI Bioorg Med Chem 21: 7604-11 (2013) Universidad de Chile 2D 3D TSV
24262883 46 Further discovery of caffeic acid derivatives as novel influenza neuraminidase inhibitors.EBI Bioorg Med Chem 21: 7715-23 (2013) Shandong University 2D 3D TSV
24262882 15 Synthesis, radiosynthesis and first in vitro evaluation of novel PET-tracers for the dopamine transporter: [(11)C]IPCIT and [(18)F]FE@IPCIT.EBI Bioorg Med Chem 21: 7562-9 (2013) Medical University of Vienna 2D 3D TSV
24261937 6 Protease inhibitors from Microcystis aeruginosa bloom material collected from the Dalton Reservoir, Israel.EBI J Nat Prod 76: 2307-15 (2013) Tel-Aviv University 2D 3D TSV
24261862 23 Design, synthesis, and biological evaluation of potent and selective class IIa histone deacetylase (HDAC) inhibitors as a potential therapy for Huntington's disease.EBI J Med Chem 56: 9934-54 (2013) BioFocus 2D 3D TSV
24257746 6 A L-lysine transporter of high stereoselectivity of the amino acid-polyamine-organocation (APC) superfamily: production, functional characterization, and structure modeling.BDB J Biol Chem 289: 1377-87 (2014) Max Planck Institute of Biophysics 2D 3D TSV
24256330 8 Recent advances in the discovery of small molecules targeting exchange proteins directly activated by cAMP (EPAC).EBI J Med Chem 57: 3651-65 (2014) University of Texas Medical Branch 2D 3D TSV
24256217 177 Structure-based design of orally bioavailable 1H-pyrrolo[3,2-c]pyridine inhibitors of mitotic kinase monopolar spindle 1 (MPS1).EBI J Med Chem 56: 10045-65 (2013) The Institute of Cancer Research 2D 3D TSV
24252546 9 SAR-based optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as highly potent EP1 receptor antagonists.EBI Bioorg Med Chem Lett 23: 6569-76 (2013) Asahi Kasei Pharma Corporation 2D 3D TSV
24252545 12 Discovery of an irreversible HCV NS5B polymerase inhibitor.EBI Bioorg Med Chem Lett 23: 6585-7 (2013) Merck Research Laboratories 2D 3D TSV
24251446 21 Lipoamide channel-binding sulfonamides selectively inhibit mycobacterial lipoamide dehydrogenase.BDB Biochemistry 52: 9375-84 (2013) Weill Cornell Medical College 2D 3D TSV
24251366 78 Development and pharmacological characterization of conformationally constrained urotensin II-related peptide agonists.EBI J Med Chem 56: 9612-22 (2014) Universit£ du Qu£bec 2D 3D TSV
24247003 25 Sulphonamide 1,4-dithia-7-azaspiro[4,4]nonane derivatives as gelatinase A inhibitors.EBI Bioorg Med Chem 21: 7752-62 (2013) Shandong University 2D 3D TSV
24246730 34 Design and synthesis of potent and selective P2X3 receptor antagonists derived from PPADS as potential pain modulators.EBI Eur J Med Chem 70: 811-30 (2013) Gwangju Institute of Science and Technology (GIST) 2D 3D TSV
24239625 10 Unraveling phosphodiesterase surfaces. Identification of phosphodiesterase 7 allosteric modulation cavities.EBI Eur J Med Chem 70: 781-8 (2013) Instituto de Qu£mica M£dica (CSIC) 2D 3D TSV
24239482 9 Discovery of an intravenous hepatoselective glucokinase activator for the treatment of inpatient hyperglycemia.EBI Bioorg Med Chem Lett 23: 6588-92 (2013) Pfizer Inc 2D 3D TSV
24239481 3 Novel piperidinylamino-diarylpyrimidine derivatives with dual structural conformations as potent HIV-1 non-nucleoside reverse transcriptase inhibitors.EBI Bioorg Med Chem Lett 23: 6593-7 (2013) Shandong University 2D 3D TSV
24239189 85 Substituted phenyl as a steroid A-ring mimetic: providing agonist activity to a class of arylsulfonamide nonsteroidal glucocorticoid ligands.EBI Bioorg Med Chem Lett 23: 6645-9 (2013) Boehringer Ingelheim Pharmaceuticals Inc 2D 3D TSV
24239188 63 Pyrido[2,3-d]pyrimidines: discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.EBI Bioorg Med Chem Lett 23: 6610-5 (2013) Hoffmann-La Roche Inc 2D 3D TSV
24239186 84 Structure-based design of substituted hexafluoroisopropanol-arylsulfonamides as modulators of RORc.EBI Bioorg Med Chem Lett 23: 6604-9 (2013) Genentech 2D 3D TSV
24239017 15 Design, synthesis and biological evaluation of ?-substituted isonipecotic acid benzothiazole analogues as potent bacterial type II topoisomerase inhibitors.EBI Bioorg Med Chem Lett 23: 6598-603 (2013) Biota Holdings Ltd 2D 3D TSV
24238902 12 Design and synthesis of novel benzimidazole derivatives as phosphodiesterase 10A inhibitors with reduced CYP1A2 inhibition.EBI Bioorg Med Chem 21: 7612-23 (2013) Astellas Pharma Inc 2D 3D TSV
24238901 2 The synthesis and biodistribution of [(11)C]metformin as a PET probe to study hepatobiliary transport mediated by the multi-drug and toxin extrusion transporter 1 (MATE1) in vivo.EBI Bioorg Med Chem 21: 7584-90 (2013) RIKEN Center for Life Science Technologies 2D 3D TSV
24237195 46 High-throughput virtual screening identifies novel N'-(1-phenylethylidene)-benzohydrazides as potent, specific, and reversible LSD1 inhibitors.EBI J Med Chem 56: 9496-508 (2014) University of Utah 2D 3D TSV
24237160 52 Design and synthesis of 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile (citalopram) analogues as novel probes for the serotonin transporter S1 and S2 binding sites.EBI J Med Chem 56: 9709-24 (2013) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
24237039 6 3-Azatetracyclo[5.2.1.1(5,8).0(1,5)]undecane derivatives: from wild-type inhibitors of the M2 ion channel of influenza A virus to derivatives with potent activity against the V27A mutant.EBI J Med Chem 56: 9265-74 (2013) Universitat de Barcelona 2D 3D TSV
24231650 2 Discovery of a novel activator of 5-lipoxygenase from an anacardic acid derived compound collection.EBI Bioorg Med Chem 21: 7763-78 (2013) University of Groningen 2D 3D TSV
24231362 13 Discovery of benzo[d]imidazo[5,1-b]thiazole as a new class of phosphodiesterase 10A inhibitors.EBI Bioorg Med Chem Lett 23: 6747-54 (2013) Glenmark Pharmaceuticals Limited 2D 3D TSV
24231308 80 Fine molecular tuning at position 4 of 2H-chromen-2-one derivatives in the search of potent and selective monoamine oxidase B inhibitors.EBI Eur J Med Chem 70: 723-39 (2013) Universit£ degli Studi di Bari "Aldo Moro" 2D 3D TSV
24228714 64 MT1 and MT2 melatonin receptors: ligands, models, oligomers, and therapeutic potential.EBI J Med Chem 57: 3161-85 (2014) The German University in Cairo 2D 3D TSV
24225950 7 Identification of a small peptide that inhibits PCSK9 protein binding to the low density lipoprotein receptor.BDB J Biol Chem 289: 942-55 (2014) Genentech Inc 2D 3D TSV
24224843 11 Protein tyrosine phosphatase 1B (PTP1B) inhibitors from Morinda citrifolia (Noni) and their insulin mimetic activity.EBI J Nat Prod 76: 2080-7 (2013) Chosun University 2D 3D TSV
24224763 51 Removal of human ether-à-go-go related gene (hERG) K+ channel affinity through rigidity: a case of clofilium analogues.EBI J Med Chem 56: 9427-40 (2013) Leiden University 2D 3D TSV
24224729 4 Imidazopyridazine hepatitis C virus polymerase inhibitors. Structure-activity relationship studies and the discovery of a novel, traceless prodrug mechanism.EBI J Med Chem 57: 1964-75 (2014) GlaxoSmithKline Research & Development 2D 3D TSV
24224654 6 Identification of potent and selective cathepsin S inhibitors containing different central cyclic scaffolds.EBI J Med Chem 56: 9789-801 (2014) Pharma Research and Early 2D 3D TSV
24224573 31 Optimization of O3-acyl kojic acid derivatives as potent and selective human neutrophil elastase inhibitors.EBI J Med Chem 56: 9802-6 (2014) Universidade de Lisboa 2D 3D TSV
24220173 37 Preparation, in vitro evaluation and molecular modelling of pyridinium-quinolinium/isoquinolinium non-symmetrical bisquaternary cholinesterase inhibitors.EBI Bioorg Med Chem Lett 23: 6663-6 (2013) Charles University in Prague 2D 3D TSV
24220172 25 Novel tacrine-ebselen hybrids with improved cholinesterase inhibitory, hydrogen peroxide and peroxynitrite scavenging activity.EBI Bioorg Med Chem Lett 23: 6737-42 (2013) Sun Yat-sen University 2D 3D TSV
24220171 5 Novel glycosylated endomorphin-2 analog produces potent centrally-mediated antinociception in mice after peripheral administration.EBI Bioorg Med Chem Lett 23: 6673-6 (2013) Medical University of Lodz 2D 3D TSV
24220170 8 In vitro cytotoxicity on human ovarian cancer cells by T-type calcium channel blockers.EBI Bioorg Med Chem Lett 23: 6656-62 (2013) Kyung Hee University 2D 3D TSV
24219778 139 Discovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.EBI J Med Chem 56: 9693-700 (2014) Eshelman School of Pharmacy�Department of Pharmacology�Lineberger Compreh 2D 3D TSV
24216094 89 Isoquinoline derivatives as potent CRTH2 antagonists: design, synthesis and SAR.EBI Bioorg Med Chem 21: 7674-85 (2013) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
24216091 24 Structure-based design, synthesis, and evaluation of imidazo[1,2-b]pyridazine and imidazo[1,2-a]pyridine derivatives as novel dual c-Met and VEGFR2 kinase inhibitors.EBI Bioorg Med Chem 21: 7686-98 (2013) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
24215892 34 Discovery of 2,5-diarylnicotinamides as selective orexin-2 receptor antagonists (2-SORAs).EBI Bioorg Med Chem Lett 23: 6620-4 (2013) Merck Research Laboratories 2D 3D TSV
24215891 107 Function-regulating pharmacophores in a sulfonamide class of glucocorticoid receptor agonists.EBI Bioorg Med Chem Lett 23: 6640-4 (2013) Boehringer Ingelheim Pharmaceuticals Inc 2D 3D TSV
24215890 1 Synthesis and biological evaluation of nimesulide based new class of triazole derivatives as potential PDE4B inhibitors against cancer cells.EBI Bioorg Med Chem Lett 23: 6721-7 (2013) MNR Degree & PG College 2D 3D TSV
24215889 21 Metabolism-guided discovery of a potent and orally bioavailable urea-based calcimimetic for the treatment of secondary hyperparathyroidism.EBI Bioorg Med Chem Lett 23: 6625-8 (2013) Amgen Inc 2D 3D TSV
24215819 17 Identification of sulfonic acids as efficient ecto-5'-nucleotidase inhibitors.EBI Eur J Med Chem 70: 685-91 (2013) COMSATS Institute of Information Technology 2D 3D TSV
24215352 9 Discovery of potent Mcl-1/Bcl-xL dual inhibitors by using a hybridization strategy based on structural analysis of target proteins.EBI J Med Chem 56: 9635-45 (2014) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
24211642 49 Identification by in silico and in vitro screenings of small organic molecules acting as reversible inhibitors of kallikreins.EBI Eur J Med Chem 70: 661-8 (2013) Universit£ Pierre et Marie Curie 2D 3D TSV
24211641 3 An efficient approach to novel 17-5'-(1',2',4')-oxadiazolyl androstenes via the cyclodehydration of cytotoxic O-steroidacylamidoximes, and an evaluation of their inhibitory action on 17a-hydroxylase/C17,20-lyase.EBI Eur J Med Chem 70: 649-60 (2013) University of Szeged 2D 3D TSV
24211638 28 Novel coumarin-3-carboxamides bearing N-benzylpiperidine moiety as potent acetylcholinesterase inhibitors.EBI Eur J Med Chem 70: 623-30 (2013) Kerman University of Medical Sciences 2D 3D TSV
24211637 1 Advances in the studies of roles of Rho/Rho-kinase in diseases and the development of its inhibitors.EBI Eur J Med Chem 70: 613-22 (2013) Sun Yat-sen University 2D 3D TSV
24211633 14 Synthesis of novel 1,2,3-triazole based benzoxazolinones: their TNF-? based molecular docking with in-vivo anti-inflammatory, antinociceptive activities and ulcerogenic risk evaluation.EBI Eur J Med Chem 70: 579-88 (2013) Jamia Hamdard (Hamdard University) 2D 3D TSV
24211162 55 Discovery of XEN445: a potent and selective endothelial lipase inhibitor raises plasma HDL-cholesterol concentration in mice.EBI Bioorg Med Chem 21: 7724-34 (2013) Xenon Pharmaceuticals Inc 2D 3D TSV
24211020 35 Chlorophenylpiperazine analogues as high affinity dopamine transporter ligands.EBI Bioorg Med Chem Lett 23: 6920-6922 (2013) University of Maryland 2D 3D TSV
24210504 106 Design and synthesis of novel 3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine derivatives as selective G-protein-coupled receptor kinase-2 and -5 inhibitors.EBI Bioorg Med Chem Lett 23: 6711-6 (2013) Korea Research Institute of Chemical Technology 2D 3D TSV
24210501 1 Radionuclide labeling and evaluation of candidate radioligands for PET imaging of histone deacetylase in the brain.EBI Bioorg Med Chem Lett 23: 6700-5 (2013) Chonbuk National University 2D 3D TSV
24210500 3 Anion inhibition studies of aß-carbonic anhydrase from Clostridium perfringens.EBI Bioorg Med Chem Lett 23: 6706-10 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
24205976 2 Novel, broad-spectrum anticonvulsants containing a sulfamide group: pharmacological properties of (S)-N-[(6-chloro-2,3-dihydrobenzo[1,4]dioxin-2-yl)methyl]sulfamide (JNJ-26489112).EBI J Med Chem 56: 9019-30 (2013) Janssen Pharmaceutical Companies of Johnson & Johnson L.L.C. 2D 3D TSV
24200932 2 Design, synthesis, and biological evaluation of 1,2,4-triazole bearing 5-substituted biphenyl-2-sulfonamide derivatives as potential antihypertensive candidates.EBI Bioorg Med Chem 21: 7742-51 (2013) China Pharmaceutical University 2D 3D TSV
24200808 6 Oxime-based inhibitors of glucose transporter 1 displaying antiproliferative effects in cancer cells.EBI Bioorg Med Chem Lett 23: 6923-7 (2013) Universit£ di Pisa 2D 3D TSV
24200193 32 Characterization of a novela-conotoxin TxID from Conus textile that potently blocks rata3ß4 nicotinic acetylcholine receptors.EBI J Med Chem 56: 9655-63 (2014) Hainan University 2D 3D TSV
24200125 135 A prodrug approach toward cancer-related carbonic anhydrase inhibition.EBI J Med Chem 56: 9623-34 (2013) Griffith University 2D 3D TSV
24195776 67 Exploration of a series of 5-arylidene-2-thioxoimidazolidin-4-ones as inhibitors of the cytolytic protein perforin.EBI J Med Chem 56: 9542-55 (2014) University of Auckland 2D 3D TSV
24195762 135 Pseudo-cyclization through intramolecular hydrogen bond enables discovery of pyridine substituted pyrimidines as new Mer kinase inhibitors.EBI J Med Chem 56: 9683-92 (2014) University of North Carolina at Chapel Hill 2D 3D TSV
24195668 57 Aurora isoform selectivity: design and synthesis of imidazo[4,5-b]pyridine derivatives as highly selective inhibitors of Aurora-A kinase in cells.EBI J Med Chem 56: 9122-35 (2013) The Institute of Cancer Research 2D 3D TSV
24194520 5 Evidence of ternary complex formation in Trypanosoma cruzi trans-sialidase catalysis.BDB J Biol Chem 289: 423-36 (2014) Universidade Federal do Rio de Janeiro 2D 3D TSV
24194519 15 Potent reversible inhibition of myeloperoxidase by aromatic hydroxamates.BDB J Biol Chem 288: 36636-47 (2013) University of Otago Christchurch 2D 3D TSV
24194515 1 Insights into distinct modulation of a7 and a7ß2 nicotinic acetylcholine receptors by the volatile anesthetic isoflurane.BDB J Biol Chem 288: 35793-800 (2013) University of Pittsburgh 2D 3D TSV
24189496 67 8-(2-Furyl)adenine derivatives as A?A adenosine receptor ligands.EBI Eur J Med Chem 70: 525-35 (2013) University of Camerino 2D 3D TSV
24189186 3 Synthesis and structure-activity relationships of new carbonyl guanidine derivatives as novel dual 5-HT2B and 5-HT7 receptor antagonists.EBI Bioorg Med Chem 21: 7841-52 (2013) Astellas Pharma Inc 2D 3D TSV
24189056 64 Salen and tetrahydrosalen derivatives act as effective inhibitors of the tumor-associated carbonic anhydrase XII--a new scaffold for designing isoform-selective inhibitors.EBI Bioorg Med Chem Lett 23: 6759-63 (2013) Sapienza University of Rome 2D 3D TSV
24189054 2 PDE2 inhibition: potential for the treatment of cognitive disorders.EBI Bioorg Med Chem Lett 23: 6522-7 (2013) Dart Neuroscience LLC 2D 3D TSV
24188023 32 Chemical probes to study ADP-ribosylation: synthesis and biochemical evaluation of inhibitors of the human ADP-ribosyltransferase ARTD3/PARP3.EBI J Med Chem 56: 9556-68 (2014) Ume£ University 2D 3D TSV
24188002 41 Development of DANDYs, new 3,5-diaryl-7-azaindoles demonstrating potent DYRK1A kinase inhibitory activity.EBI J Med Chem 56: 9569-85 (2014) UPR 2301, CNRS 2D 3D TSV
24187998 96 Design, synthesis, and biological evaluation of Erythrina alkaloid analogues as neuronal nicotinic acetylcholine receptor antagonists.EBI J Med Chem 56: 9673-82 (2014) University of Copenhagen 2D 3D TSV
24187139 9 Defining the communication between agonist and coactivator binding in the retinoid X receptor a ligand binding domain.BDB J Biol Chem 289: 814-26 (2014) University of Alabama at Birmingham 2D 3D TSV
24185379 28 Solution-phase microwave assisted parallel synthesis of N,N'-disubstituted thioureas derived from benzoic acid: biological evaluation and molecular docking studies.EBI Eur J Med Chem 70: 487-96 (2013) Quaid-i-Azam University 2D 3D TSV
24185377 6 Design, synthesis and molecular modelling studies of novel 3-acetamido-4-methyl benzoic acid derivatives as inhibitors of protein tyrosine phosphatase 1B.EBI Eur J Med Chem 70: 469-76 (2013) School of Pharmaceutical Sciences 2D 3D TSV
24185375 76 Synthesis, structure-activity relationship and biological evaluation of 2,4,5-trisubstituted pyrimidine CDK inhibitors as potential anti-tumour agents.EBI Eur J Med Chem 70: 447-55 (2013) University of Nottingham 2D 3D TSV
24184776 19 Synthesis, biological evaluation and molecular docking studies of flavone and isoflavone derivatives as a novel class of KSP (kinesin spindle protein) inhibitors.EBI Eur J Med Chem 70: 427-33 (2013) Nanjing University 2D 3D TSV
24184213 71 Investigation of quinazolines as inhibitors of breast cancer resistance protein (ABCG2).EBI Bioorg Med Chem 21: 7858-73 (2013) University of Bonn 2D 3D TSV
24184076 1 Recycling antimalarial leads for cancer: Antiproliferative properties of N-cinnamoyl chloroquine analogues.EBI Bioorg Med Chem Lett 23: 6769-72 (2013) Centro de Investiga££o em Qu£mica da Universidade do Porto 2D 3D TSV
24183742 40 Design, synthesis and biological evaluation of novel 4-anilinoquinazolines with C-6 urea-linked side chains as inhibitors of the epidermal growth factor receptor.EBI Bioorg Med Chem 21: 7988-98 (2013) Chinese Academy of Sciences 2D 3D TSV
24183741 20 Inhibitors of tissue-nonspecific alkaline phosphatase: design, synthesis, kinetics, biomineralization and cellular tests.EBI Bioorg Med Chem 21: 7981-7 (2013) Universit£ de Lyon 2D 3D TSV
24183739 6 Synthesis and pharmacological characterization of benzenesulfonamides as dual species inhibitors of human and murine mPGES-1.EBI Bioorg Med Chem 21: 7874-83 (2013) Goethe-University Frankfurt 2D 3D TSV
24183588 1 Towards tropomyosin-related kinase B (TrkB) receptor ligands for brain imaging with PET: radiosynthesis and evaluation of 2-(4-[(18)F]fluorophenyl)-7,8-dihydroxy-4H-chromen-4-one and 2-(4-([N-methyl-(11)C]-dimethylamino)phenyl)-7,8-dihydroxy-4H-chromen-4-one.EBI Bioorg Med Chem 21: 7816-29 (2013) Universit£ de Montr£al 2D 3D TSV
24183538 19 Novel Mps1 kinase inhibitors: from purine to pyrrolopyrimidine and quinazoline leads.EBI Bioorg Med Chem Lett 23: 6829-33 (2013) Myrexis Inc 2D 3D TSV
24182233 57 Reductions in log P improved protein binding and clearance predictions enabling the prospective design of cannabinoid receptor (CB1) antagonists with desired pharmacokinetic properties.EBI J Med Chem 56: 9586-600 (2014) Bristol-Myers Squibb Co. 2D 3D TSV
24177367 6 Fragment-based approach to the design of 5-chlorouracil-linked-pyrazolo[1,5-a][1,3,5]triazines as thymidine phosphorylase inhibitors.EBI Eur J Med Chem 70: 400-10 (2013) National University of Singapore 2D 3D TSV
24177366 3 Novel toll-like receptor 4 (TLR4) antagonists identified by structure- and ligand-based virtual screening.EBI Eur J Med Chem 70: 393-9 (2013) Blood Transfusion Centre of Slovenia 2D 3D TSV
24176400 78 Synthesis of novel 7-substituted pyrido[2',3':4,5]furo[3,2-d]pyrimidin-4-amines and their N-aryl analogues and evaluation of their inhibitory activity against Ser/Thr kinases.EBI Bioorg Med Chem Lett 23: 6784-8 (2013) COBRA 2D 3D TSV
24176396 41 The discovery of novel N-(2-pyrimidinylamino) benzamide derivatives as potent hedgehog signaling pathway inhibitors.EBI Bioorg Med Chem Lett 23: 6777-83 (2013) Jiangsu Simcere Pharmaceutical Co. Ltd 2D 3D TSV
24176395 30 2-(2-Phenylmorpholin-4-yl)pyrimidin-4(3H)-ones; a new class of potent, selective and orally active glycogen synthase kinase-3ß inhibitors.EBI Bioorg Med Chem Lett 23: 6933-7 (2013) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
24175626 17 Identification of CB1/CB2 ligands from Zanthoxylum bungeanum.EBI J Nat Prod 76: 2060-4 (2013) National Institute on Aging 2D 3D TSV
24175584 35 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.EBI J Med Chem 56: 9441-56 (2014) Sanofi-Aventis R&D 2D 3D TSV
24175572 1 6-Alkoxy-5-aryl-3-pyridinecarboxamides, a new series of bioavailable cannabinoid receptor type 1 (CB1) antagonists including peripherally selective compounds.EBI J Med Chem 56: 9874-96 (2013) F. Hoffmann-La Roche Inc 2D 3D TSV
24171552 52 Expanding the Scope of Human DNA Polymerase ¿ and ß Inhibitors.BDB ACS Chem Biol 9: 282-90 (2014) University of Konstanz 2D 3D TSV
24171493 95 Aminothiazole-featured pirinixic acid derivatives as dual 5-lipoxygenase and microsomal prostaglandin E2 synthase-1 inhibitors with improved potency and efficiency in vivo.EBI J Med Chem 56: 9031-44 (2013) Goethe-University Frankfurt 2D 3D TSV
24171478 4 Structure-activity relationship study of permethyl ningalin B analogues as P-glycoprotein chemosensitizers.EBI J Med Chem 56: 9057-70 (2013) Ocean University of China 2D 3D TSV
24171469 78 Structure-activity relationship of imidazopyridinium analogues as antagonists of neuropeptide s receptor.EBI J Med Chem 56: 9045-56 (2013) National Institutes of Health 2D 3D TSV
24169316 46 Chromenylchalcones with inhibitory effects on monoamine oxidase B.EBI Bioorg Med Chem 21: 7890-7 (2013) Konkuk University 2D 3D TSV
24169315 9 Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells.EBI Bioorg Med Chem 21: 7938-54 (2013) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
24167659 15 Design and Synthesis of Potent Bivalent Peptide Agonists Targeting the EphA2 Receptor.EBI ACS Med Chem Lett 4: (2013) State University of New York 2D 3D TSV
24165164 9 Beyond topoisomerase inhibition: antitumor 1,4-naphthoquinones as potential inhibitors of human monoamine oxidase.BDB Chem Biol Drug Des 83: 401-10 (2014) Federal University of Rio de Janeiro 2D 3D TSV
24164966 16 Identification of type II inhibitors targeting BRAF using privileged pharmacophores.BDB Chem Biol Drug Des 83: 27-36 (2014) Shanghai Institute of Pharmaceutical Industry, 1111 Zhongshan North One Road, Hongkou District, Shanghai, 200437, China 2D 3D TSV
24164628 186 Adenosine A2A receptor as a drug discovery target.EBI J Med Chem 57: 3623-50 (2014) Merck Research Laboratories 2D 3D TSV
24164599 9 Discovery of the first M5-selective and CNS penetrant negative allosteric modulator (NAM) of a muscarinic acetylcholine receptor: (S)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydro-1H-imidazo[2,1-a]isoindol-5(9bH)-one (ML375).EBI J Med Chem 56: 9351-5 (2013) Vanderbilt University 2D 3D TSV
24164581 82 Conformationally constrained ortho-anilino diaryl ureas: discovery of 1-(2-(1'-neopentylspiro[indoline-3,4'-piperidine]-1-yl)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea, a potent, selective, and bioavailable P2Y1 antagonist.EBI J Med Chem 56: 9275-95 (2013) Bristol-Myers Squibb Co. 2D 3D TSV
24164513 9 Structure-activity relationships and molecular modeling of sphingosine kinase inhibitors.EBI J Med Chem 56: 9310-27 (2013) The City University of New York 2D 3D TSV
24164245 11 Santacruzamate A, a potent and selective histone deacetylase inhibitor from the Panamanian marine cyanobacterium cf. Symploca sp.EBI J Nat Prod 76: 2026-33 (2013) University of Connecticut 2D 3D TSV
24164086 17 Nicotinamide phosphoribosyltransferase inhibitors, design, preparation, and structure-activity relationship.EBI J Med Chem 56: 9071-88 (2013) Topotarget A/S 2D 3D TSV
24161834 17 The discovery of the benzazepine class of histamine H3 receptor antagonists.EBI Bioorg Med Chem Lett 23: 6897-901 (2013) GlaxoSmithKline 2D 3D TSV
24161678 9 Development of 3,4-dihydroisoquinolin-1(2H)-one derivatives for the Positron Emission Tomography (PET) imaging ofs2 receptors.EBI Eur J Med Chem 69: 920-30 (2013) Universit£ degli Studi di Bari Aldo Moro 2D 3D TSV
24160350 4 Synthesis and evaluation of a (18)F-labeled diarylpyrazole glycoconjugate for the imaging of NTS1-positive tumors.EBI J Med Chem 56: 9361-5 (2013) Friedrich-Alexander University 2D 3D TSV
24160297 37 Synthesis and evaluation of multi-target-directed ligands against Alzheimer's disease based on the fusion of donepezil and ebselen.EBI J Med Chem 56: 9089-99 (2013) Sun Yat-sen University 2D 3D TSV
24160253 14 Design and synthesis of P1-P3 macrocyclic tertiary-alcohol-comprising HIV-1 protease inhibitors.EBI J Med Chem 56: 8999-9007 (2013) Uppsala University 2D 3D TSV
24158442 40 Transition state analogues of Plasmodium falciparum and human orotate phosphoribosyltransferases.BDB J Biol Chem 288: 34746-54 (2013) Albert Einstein College of Medicine 2D 3D TSV
24158015 15 A stereoselective approach to peptidomimetic BACE1 inhibitors.EBI Eur J Med Chem 70: 233-47 (2013) University of Siena 2D 3D TSV
24158012 3 Scorpiand-like azamacrocycles prevent the chronic establishment of Trypanosoma cruzi in a murine model.EBI Eur J Med Chem 70: 189-98 (2013) Universidad de Granada 2D 3D TSV
24157370 22 The sulfamide moiety affords higher inhibitory activity and oral bioavailability to a series of coumarin dual selective RAF/MEK inhibitors.EBI Bioorg Med Chem Lett 23: 6223-7 (2013) Chugai Pharmaceutical Co. Ltd 2D 3D TSV
24157369 3 Synthesis and biological evaluation of positron emission tomography radiotracers targeting serotonin 4 receptors in brain: [18F]MNI-698 and [18F]MNI-699.EBI Bioorg Med Chem Lett 23: 6243-7 (2013) Molecular NeuroImaging LLC 2D 3D TSV
24157367 7 Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.EBI Bioorg Med Chem Lett 23: 6860-3 (2013) Northern Illinois University 2D 3D TSV
24157366 46 Discovery and optimization of orally active cyclohexane-based prolylcarboxypeptidase (PrCP) inhibitors.EBI Bioorg Med Chem Lett 23: 6228-33 (2013) Merck Research Laboratories 2D 3D TSV
24157365 23 Design and synthesis of aryl sulfonamide-based nonsteroidal mineralocorticoid receptor antagonists.EBI Bioorg Med Chem Lett 23: 6239-42 (2013) Pfizer Inc 2D 3D TSV
24156938 12 The 3,7-diazabicyclo[3.3.1]nonane scaffold for subtype selective nicotinic acetylcholine receptor (nAChR) ligands. Part 1: the influence of different hydrogen bond acceptor systems on alkyl and (hetero)aryl substituents.EBI Bioorg Med Chem 21: 7283-308 (2013) University of Bonn 2D 3D TSV
24156012 42 Synthesis and EBI Medchemcomm 4: 1283-1289 (2013) Washington University School of Medicine 2D 3D TSV
24153396 97 Synthesis and biological evaluation of pyrrolidine-2-carbonitrile and 4-fluoropyrrolidine-2-carbonitrile derivatives as dipeptidyl peptidase-4 inhibitors for the treatment of type 2 diabetes.EBI Bioorg Med Chem 21: 7418-29 (2013) Chinese Academy of Sciences 2D 3D TSV
24153205 21 4-Bicyclic heteroaryl-piperidine derivatives as potent, orally bioavailable Stearoyl-CoA desaturase-1 (SCD1) inhibitors. Part 1: urea-based analogs.EBI Bioorg Med Chem Lett 23: 6773-6 (2013) Janssen Research and Development LLC 2D 3D TSV
24152295 12 Discovery and optimization of piperidyl-1,2,3-triazole ureas as potent, selective, and in vivo-active inhibitors of a/ß-hydrolase domain containing 6 (ABHD6).EBI Cell Chem Biol 56: 8270-9 (2013) The Scripps Research Institute 2D 3D TSV
24148993 4 Acetylcholinesterase inhibitors as Alzheimer therapy: from nerve toxins to neuroprotection.EBI Eur J Med Chem 70: 165-88 (2013) Punjabi University 2D 3D TSV
24148992 60 Novel state-dependent voltage-gated sodium channel modulators, based on marine alkaloids from Agelas sponges.EBI Eur J Med Chem 70: 154-64 (2013) University of Ljubljana 2D 3D TSV
24148991 5 Thiazole-aminopiperidine hybrid analogues: design and synthesis of novel Mycobacterium tuberculosis GyrB inhibitors.EBI Eur J Med Chem 70: 143-53 (2013) Birla Institute of Technology 2D 3D TSV
24148835 41 Design, synthesis and evaluation of novel 4-dimethylamine flavonoid derivatives as potential multi-functional anti-Alzheimer agents.EBI Bioorg Med Chem 21: 7275-82 (2013) Henan University 2D 3D TSV
24148325 8 Discovery of novel PTP1B inhibitors via pharmacophore-oriented scaffold hopping from Ertiprotafib.EBI Bioorg Med Chem Lett 23: 6217-22 (2013) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
24147864 6 Synthesis and evaluation in monkey of [(18)F]4-fluoro-N-methyl-N-(4-(6-(methylamino)pyrimidin-4-yl)thiazol-2-yl)benzamide ([(18)F]FIMX): a promising radioligand for PET imaging of brain metabotropic glutamate receptor 1 (mGluR1).EBI J Med Chem 56: 9146-55 (2013) National Institute of Mental Health 2D 3D TSV
24147825 22 2'-Deoxyuridine 5'-monophosphate substrate displacement in thymidylate synthase through 6-hydroxy-2H-naphtho[1,8-bc]furan-2-one derivatives.EBI J Med Chem 56: 9356-60 (2013) University of Modena and Reggio Emilia 2D 3D TSV
24147804 17 Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.EBI J Med Chem 56: 9242-50 (2013) Vanderbilt University School of Medicine 2D 3D TSV
24145137 90 The 3,7-diazabicyclo[3.3.1]nonane scaffold for subtype selective nicotinic acetylcholine receptor ligands. Part 2: carboxamide derivatives with different spacer motifs.EBI Bioorg Med Chem 21: 7309-29 (2013) University of Bonn 2D 3D TSV
24144854 9 Schiff's base derivatives bearing nitroimidazole moiety: new class of antibacterial, anticancer agents and potential EGFR tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 23: 6264-8 (2013) Nanjing University 2D 3D TSV
24144853 3 Synthesis of 3-spiromorpholinone androsterone derivatives as inhibitors of 17ß-hydroxysteroid dehydrogenase type 3.EBI Bioorg Med Chem Lett 23: 6360-2 (2013) Laval University 2D 3D TSV
24144851 24 The design of a novel series of muscarinic receptor antagonists leading to AZD8683, a potential inhaled treatment for COPD.EBI Bioorg Med Chem Lett 23: 6248-53 (2013) AstraZeneca 2D 3D TSV
24144848 1 Anti-cancer evaluation of carboxamides of furano-sesquiterpene carboxylic acids from the soft coral Sinularia kavarattiensis.EBI Bioorg Med Chem Lett 23: 6234-8 (2013) CSIR-IICT 2D 3D TSV
24144404 36 4?-Methyl-5-(3-hydroxyphenyl)morphan opioid agonist and partial agonist derived from a 4?-methyl-5-(3-hydroxyphenyl)morphan pure antagonist.EBI J Med Chem 56: 8826-33 (2013) Research Triangle Institute 2D 3D TSV
24144283 100 Structure-guided design of potent diazobenzene inhibitors for the BET bromodomains.EBI J Med Chem 56: 9251-64 (2013) Icahn School of Medicine at Mount Sinai 2D 3D TSV
24144240 70 Design, synthesis, and biological evaluation of 14-heteroaromatic-substituted naltrexone derivatives: pharmacological profile switch from mu opioid receptor selectivity to mu/kappa opioid receptor dual selectivity.EBI J Med Chem 56: 9156-69 (2013) Virginia Commonwealth University 2D 3D TSV
24141201 8 Synthetic cannabinoid quinones: preparation, in vitro antiproliferative effects and in vivo prostate antitumor activity.EBI Eur J Med Chem 70: 111-9 (2013) Instituto de Qu£mica M£dica 2D 3D TSV
24140951 19 Novel polyamine analogues: from substrates towards potential inhibitors of monoamine oxidases.EBI Eur J Med Chem 70: 88-101 (2013) University of Padova 2D 3D TSV
24140950 6 Design, synthesis and receptor affinity of novel conformationally restricteds ligands based on the [4.3.3]propellane scaffold.EBI Eur J Med Chem 70: 78-87 (2013) Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster 2D 3D TSV
24140447 18 Synthesis and evaluation of N-alkyl-S-[3-(piperidin-1-yl)propyl]isothioureas: high affinity and human/rat species-selective histamine H(3) receptor antagonists.EBI Bioorg Med Chem Lett 23: 6415-20 (2013) Osaka University of Pharmaceutical Sciences 2D 3D TSV
24140446 62 GluK1 antagonists from 6-(tetrazolyl)phenyl decahydroisoquinoline derivatives: in vitro profile and in vivo analgesic efficacy.EBI Bioorg Med Chem Lett 23: 6463-6 (2013) Centro de Investigaci�n Lilly 2D 3D TSV
24140444 30 Quinones bearing non-steroidal anti-inflammatory fragments as multitarget ligands for Alzheimer's disease.EBI Bioorg Med Chem Lett 23: 6254-8 (2013) Alma Mater Studiorum University of Bologna 2D 3D TSV
24139940 5 Design and synthesis of silicon-containing tubulin polymerization inhibitors: replacement of the ethylene moiety of combretastatin A-4 with a silicon linker.EBI Bioorg Med Chem 21: 7381-91 (2013) The University of Tokyo 2D 3D TSV
24139843 38 Development of fluorinated CB(2) receptor agonists for PET studies.EBI Bioorg Med Chem 21: 7481-98 (2013) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
24139584 17 Identification and profiling of 3,5-dimethyl-isoxazole-4-carboxylic acid [2-methyl-4-((2S,3'S)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)phenyl] amide as histamine H(3) receptor antagonist for the treatment of depression.EBI Bioorg Med Chem Lett 23: 6269-73 (2013) Sanofi US 2D 3D TSV
24139583 21 Discovery of 2-methylpyridine-based biaryl amides as¿-secretase modulators for the treatment of Alzheimer's disease.EBI Bioorg Med Chem Lett 23: 6447-54 (2013) Amgen Inc 2D 3D TSV
24139169 175 Discovery and optimization of pyrrolo[1,2-a]pyrazinones leads to novel and selective inhibitors of PIM kinases.EBI Bioorg Med Chem 21: 7364-80 (2013) Nerviano Medical Sciences 2D 3D TSV
24139167 419 1,3-Dialkyl-substituted tetrahydropyrimido[1,2-f]purine-2,4-diones as multiple target drugs for the potential treatment of neurodegenerative diseases.EBI Bioorg Med Chem 21: 7435-52 (2013) University of Bonn 2D 3D TSV
24138940 34 Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).EBI Bioorg Med Chem Lett 23: 6331-5 (2013) Evotec (UK) Ltd 2D 3D TSV
24138939 112 Enhancement of kinase selectivity in a potent class of arylamide FMS inhibitors.EBI Bioorg Med Chem Lett 23: 6363-9 (2013) Janssen Research and Development LLC 2D 3D TSV
24138311 25 A structure-activity analysis of biased agonism at the dopamine D2 receptor.EBI J Med Chem 56: 9199-221 (2013) Monash University (Parkville Campus) 2D 3D TSV
24135727 7 Azetidines and spiro azetidines as novel P2 units in hepatitis C virus NS3 protease inhibitors.EBI Bioorg Med Chem Lett 23: 6325-30 (2013) Emory University 2D 3D TSV
24135724 73 Discovery, design and synthesis of a selective S1P(3) receptor allosteric agonist.EBI Bioorg Med Chem Lett 23: 6346-9 (2013) The Scripps Research Institute 2D 3D TSV
24134904 2 Design, synthesis and biological evaluation of 3-benzyloxy-linked pyrimidinylphenylamine derivatives as potent HIV-1 NNRTIs.EBI Bioorg Med Chem 21: 7398-405 (2013) Shandong University 2D 3D TSV
24133210 8 Effects of isoform-selective phosphatidylinositol 3-kinase inhibitors on osteoclasts: actions on cytoskeletal organization, survival, and resorption.BDB J Biol Chem 288: 35346-57 (2013) Western University 2D 3D TSV
24133207 44 Novel structural and functional insights into M3 muscarinic receptor dimer/oligomer formation.BDB J Biol Chem 288: 34777-90 (2013) National Institutes of Health 2D 3D TSV
24131448 7 Oxidative stress in Alzheimer's disease: are we connecting the dots?EBI J Med Chem 57: 2821-31 (2014) University of Bologna 2D 3D TSV
24131420 33 Design of novel potent inhibitors of human uridine phosphorylase-1: synthesis, inhibition studies, thermodynamics, and in vitro influence on 5-fluorouracil cytotoxicity.EBI J Med Chem 56: 8892-902 (2013) Pontifical Catholic University of Rio Grande do Sul 2D 3D TSV
24131218 112 Metabolically stable dibenzo[b,e]oxepin-11(6H)-ones as highly selective p38 MAP kinase inhibitors: optimizing anti-cytokine activity in human whole blood.EBI J Med Chem 56: 8561-78 (2013) Eberhard-Karls-University T£bingen 2D 3D TSV
24131202 6 Synthesis, pharmacological and structural characterization, and thermodynamic aspects of GluA2-positive allosteric modulators with a 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide scaffold.EBI J Med Chem 56: 8736-45 (2013) University of Copenhagen 2D 3D TSV
24131029 90 Triazole-dithiocarbamate based selective lysine specific demethylase 1 (LSD1) inactivators inhibit gastric cancer cell growth, invasion, and migration.EBI J Med Chem 56: 8543-60 (2013) Zhengzhou University 2D 3D TSV
24129576 4 High accuracy in silico sulfotransferase models.BDB J Biol Chem 288: 34494-501 (2013) Albert Einstein College of Medicine 2D 3D TSV
24128816 10 Design of fluorinated 5-HT(4)R antagonists: influence of the basicity and lipophilicity toward the 5-HT(4)R binding affinities.EBI Bioorg Med Chem 21: 7529-38 (2013) University of Southampton 2D 3D TSV
24128815 4 Ligand modifications to reduce the relative resistance of multi-drug resistant HIV-1 protease.EBI Bioorg Med Chem 21: 7430-4 (2013) Wayne State University 2D 3D TSV
24128814 38 Inhibition of cholinesterase and monoamine oxidase-B activity by Tacrine-Homoisoflavonoid hybrids.EBI Bioorg Med Chem 21: 7406-17 (2013) Sun Yat-sen University 2D 3D TSV
24128813 8 Exploring a potential palonosetron allosteric binding site in the 5-HT(3) receptor.EBI Bioorg Med Chem 21: 7523-8 (2013) Universit£ degli Studi di Modena e Reggio Emilia 2D 3D TSV
24128660 6 Design, synthesis and binding affinity of acetylcholine carbamoyl analogues.EBI Bioorg Med Chem Lett 23: 6481-5 (2013) Universit£ di Milano 2D 3D TSV
24128000 60 Hypoxia-targeting carbonic anhydrase IX inhibitors by a new series of nitroimidazole-sulfonamides/sulfamides/sulfamates.EBI J Med Chem 56: 8512-20 (2013) Ecole Nationale Sup£rieure de Chimie de Montpellier 2D 3D TSV
24127873 12 Targeting botulinum A cellular toxicity: a prodrug approach.EBI J Med Chem 56: 7870-9 (2013) The Scripps Research Institute 2D 3D TSV
24126916 31 Molecular characterization of zebrafish Oatp1d1 (Slco1d1), a novel organic anion-transporting polypeptide.BDB J Biol Chem 288: 33894-911 (2013) Rudjer Boskovic Institute 2D 3D TSV
24125888 2 Design, synthesis, and bioevaluation of viral 3C and 3C-like protease inhibitors.EBI Bioorg Med Chem Lett 23: 6317-20 (2013) Kansas State University 2D 3D TSV
24125886 40 Scaffold hopping approach towards various AFQ-056 analogs as potent metabotropic glutamate receptor 5 negative allosteric modulators.EBI Bioorg Med Chem Lett 23: 6370-6 (2013) Merz Pharmaceuticals GmbH 2D 3D TSV
24125885 2 Targeting the hydrophobic region of Hsp90's ATP binding pocket with novel 1,3,5-triazines.EBI Bioorg Med Chem Lett 23: 6427-31 (2013) Kyungpook National University 2D 3D TSV
24125884 19 Modulators of the Sphingosine 1-phosphate receptor 1.EBI Bioorg Med Chem Lett 23: 6377-89 (2013) The Scripps Research Institute 2D 3D TSV
24125851 48 Novel acetamidothiazole derivatives: synthesis and in vitro anticancer evaluation.EBI Eur J Med Chem 69: 908-19 (2013) University of Mansoura 2D 3D TSV
24125850 89 Mastering tricyclic ring systems for desirable functional cannabinoid activity.EBI Eur J Med Chem 69: 881-907 (2013) The University of Montana 2D 3D TSV
24124919 101 6-(1-Benzyl-1H-pyrrol-2-yl)-2,4-dioxo-5-hexenoic acids as dual inhibitors of recombinant HIV-1 integrase and ribonuclease H, synthesized by a parallel synthesis approach.EBI J Med Chem 56: 8588-98 (2013) "Sapienza" Universit£ di Roma 2D 3D TSV
24124898 26 Design, synthesis, and biological evaluation of 2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidinyl derivatives as new irreversible epidermal growth factor receptor inhibitors with improved pharmacokinetic properties.EBI J Med Chem 56: 8803-13 (2013) Chinese Academy of Sciences 2D 3D TSV
24121503 231 Chemotype-selective modes of action of ¿-opioid receptor agonists.BDB J Biol Chem 288: 34470-83 (2013) University of North Carolina 2D 3D TSV
24121234 26 Discovery of a potent dual EGFR/HER-2 inhibitor L-2 (selatinib) for the treatment of cancer.EBI Eur J Med Chem 69: 833-41 (2013) Qilu Pharmaceutical Co. Ltd 2D 3D TSV
24120542 90 The optimization of aminooxadiazoles as orally active inhibitors of Cdc7.EBI Bioorg Med Chem Lett 23: 6396-400 (2013) Amgen Inc 2D 3D TSV
24120540 44 Identification of 2-aminooxazole amides as acyl-CoA: diacylglycerol acyltransferase 1 (DGAT1) inhibitors through scaffold hopping strategy.EBI Bioorg Med Chem Lett 23: 6410-4 (2013) Merck Research Laboratories 2D 3D TSV
24119869 9 Novel coumarin-dihydropyrazole thio-ethanone derivatives: design, synthesis and anticancer activity.EBI Eur J Med Chem 74: 717-25 (2014) Anhui Medical University 2D 3D TSV
24119557 27 3-[2-(Aminomethyl)-5-[(pyridin-4-yl)carbamoyl]phenyl] benzoates as soft ROCK inhibitors.EBI Bioorg Med Chem Lett 23: 6442-6 (2013) Amakem N.V. 2D 3D TSV
24119555 13 Design, synthesis and biological evaluation of di-substituted cinnamic hydroxamic acids bearing urea/thiourea unit as potent histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 23: 6432-5 (2013) Central South University 2D 3D TSV
24119554 52 GluK1 antagonists from 6-(carboxy)phenyl decahydroisoquinoline derivatives. SAR and evaluation of a prodrug strategy for oral efficacy in pain models.EBI Bioorg Med Chem Lett 23: 6459-62 (2013) Centro de Investigaci�n Lilly 2D 3D TSV
24119448 3 Design, synthesis and biological evaluation of N2,N4-disubstituted-1,1,3-trioxo-2H,4H-pyrrolo[1,2-b][1,2,4,6]thiatriazine derivatives as HIV-1 NNRTIs.EBI Bioorg Med Chem 21: 7091-100 (2013) Shandong University 2D 3D TSV
24119291 26 Design, synthesis and biological evaluation of pazopanib derivatives as antitumor agents.BDB Chem Biol Drug Des 83: 306-16 (2014) Shandong Institute of Pharmaceutical Industry, Ji'nan, Shandong, 250101, China. 2D 3D TSV
24119242 17 Synthesis and evaluation of novel oleanolic acid derivatives as potential antidiabetic agents.BDB Chem Biol Drug Des 83: 297-305 (2014) Institute of Traditional Chinese Medicine, Chengde Medical University, Chengde, 067000, China 2D 3D TSV
24116873 16 Discovery of tankyrase inhibiting flavones with increased potency and isoenzyme selectivity.EBI J Med Chem 56: 7880-9 (2013) University of Oulu 2D 3D TSV
24114842 25 The antiparasitic clioquinol induces apoptosis in leukemia and myeloma cells by inhibiting histone deacetylase activity.BDB J Biol Chem 288: 34181-9 (2013) Soochow University 2D 3D TSV
24113240 4 Acidic biphenyl derivatives: synthesis and biological activity of a new series of potent 5-HT(4) receptor antagonists.EBI Bioorg Med Chem 21: 7134-45 (2013) University of Oslo 2D 3D TSV
24113239 26 5-Deazaflavin derivatives as inhibitors of p53 ubiquitination by HDM2.EBI Bioorg Med Chem 21: 6868-77 (2013) University of Nottingham 2D 3D TSV
24113238 5 Design and synthesis of novel 3,5-bis-N-(aryl/heteroaryl) carbamoyl-4-aryl-1,4-dihydropyridines as small molecule BACE-1 inhibitors.EBI Bioorg Med Chem 21: 6893-909 (2013) Shiraz University of Medical Sciences 2D 3D TSV
24113062 17 Investigation of aryl halides as ketone bioisosteres: refinement of potent and selective inhibitors of human cytochrome P450 19A1 (aromatase).EBI Bioorg Med Chem Lett 23: 6060-3 (2013) McMaster University 2D 3D TSV
24112084 6 The lignan (-)-hinokinin displays modulatory effects on human monoamine and GABA transporter activities.EBI J Nat Prod 76: 1889-95 (2013) Drexel University College of Medicine 2D 3D TSV
24112024 7 Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors.EBI J Med Chem 56: 8497-511 (2013) University of Montpellier 2D 3D TSV
24111942 3 Tumor-targeting with novel non-benzoyl 6-substituted straight chain pyrrolo[2,3-d]pyrimidine antifolates via cellular uptake by folate receptor a and inhibition of de novo purine nucleotide biosynthesis.EBI J Med Chem 56: 8684-95 (2013) Duquesne University 2D 3D TSV
24108128 2 Structural basis for the recognition of mycolic acid precursors by KasA, a condensing enzyme and drug target from Mycobacterium tuberculosis.BDB J Biol Chem 288: 34190-204 (2013) University of Wuerzburg 2D 3D TSV
24107104 37 Synthesis and pharmacological evaluation of aminothiazolomorphinans at the mu and kappa opioid receptors.EBI J Med Chem 56: 8872-8 (2013) Harvard Medical School 2D 3D TSV
24107081 17 Methyl-thiazoles: a novel mode of inhibition with the potential to develop novel inhibitors targeting InhA in Mycobacterium tuberculosis.EBI J Med Chem 56: 8533-42 (2013) AstraZeneca India Pvt. Ltd. 2D 3D TSV
24103580 36 Novel 6?-acylaminomorphinans with analgesic activity.EBI Eur J Med Chem 69: 786-9 (2013) Semmelweis University 2D 3D TSV
24103430 78 Inhibition of human carbonic anhydrase isoforms I-XIV with sulfonamides incorporating fluorine and 1,3,5-triazine moieties.EBI Bioorg Med Chem 21: 6929-36 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
24103428 271 Benzenesulfonamides with pyrimidine moiety as inhibitors of human carbonic anhydrases I, II, VI, VII, XII, and XIII.EBI Bioorg Med Chem 21: 6937-47 (2013) Vilnius University 2D 3D TSV
24102612 105 Synthesis and biological evaluation of direct thrombin inhibitors bearing 4-(piperidin-1-yl)pyridine at the P1 position with potent anticoagulant activity.EBI J Med Chem 56: 8696-711 (2013) University of Bari "Aldo Moro" 2D 3D TSV
24102193 17 Design, optimization, and biological evaluation of novel keto-benzimidazoles as potent and selective inhibitors of phosphodiesterase 10A (PDE10A).EBI J Med Chem 56: 8781-92 (2013) Amgen Inc. 2D 3D TSV
24102161 4 Clicking 3'-azidothymidine into novel potent inhibitors of human immunodeficiency virus.EBI J Med Chem 56: 8765-80 (2013) University of Minnesota 2D 3D TSV
24102134 19 Discovery of an in vivo chemical probe of the lysine methyltransferases G9a and GLP.EBI J Med Chem 56: 8931-42 (2013) University of North Carolina at Chapel Hill 2D 3D TSV
24100158 148 Discovery of NMS-E973 as novel, selective and potent inhibitor of heat shock protein 90 (Hsp90).EBI Bioorg Med Chem 21: 7047-63 (2013) Nerviano Medical Sciences srl 2D 3D TSV
24100078 59 Click chemistry based synthesis of dopamine D4 selective receptor ligands for the selection of potential PET tracers.EBI Bioorg Med Chem Lett 23: 6079-82 (2013) Friedrich-Alexander University 2D 3D TSV
24100077 5 Novel highly potent serotonin 5-HT7 receptor ligands: structural modifications to improve pharmacokinetic properties.EBI Bioorg Med Chem Lett 23: 6083-6 (2013) Universit£ degli Studi di Bari 'Aldo Moro' 2D 3D TSV
24099996 16 Novel nonsecosteroidal VDR agonists with phenyl-pyrrolyl pentane skeleton.EBI Eur J Med Chem 69: 768-78 (2013) China Pharmaceutical University 2D 3D TSV
24099995 21 Monoamine oxidase inhibitory activity of 3,5-biaryl-4,5-dihydro-1H-pyrazole-1-carboxylate derivatives.EBI Eur J Med Chem 69: 762-7 (2013) Birla Institute of Technology 2D 3D TSV
24099220 40 Discovery of tryptanthrin derivatives as potent inhibitors of indoleamine 2,3-dioxygenase with therapeutic activity in Lewis lung cancer (LLC) tumor-bearing mice.EBI J Med Chem 56: 8321-31 (2013) Fudan University 2D 3D TSV
24099149 7 Structure-activity-relationship studies around the 2-amino group and pyridine core of antimalarial 3,5-diarylaminopyridines lead to a novel series of pyrazine analogues with oral in vivo activity.EBI J Med Chem 56: 8860-71 (2013) University of Cape Town 2D 3D TSV
24099080 10 On the histone lysine methyltransferase activity of fungal metabolite chaetocin.EBI J Med Chem 56: 8616-25 (2013) Imperial College 2D 3D TSV
24099035 5 Dipeptidyl peptidase IV and its inhibitors: therapeutics for type 2 diabetes and what else?EBI J Med Chem 57: 2197-212 (2014) CHUV-UNIL 2D 3D TSV
24098982 39 Fragment-to-hit-to-lead discovery of a novel pyridylurea scaffold of ATP competitive dual targeting type II topoisomerase inhibiting antibacterial agents.EBI Cell Chem Biol 56: 8712-35 (2013) AstraZeneca R&D Boston 2D 3D TSV
24098954 14 Design, synthesis, and activity of a series of arylpyrid-3-ylmethanones as type I positive allosteric modulators of a7 nicotinic acetylcholine receptors.EBI J Med Chem 56: 8352-65 (2013) University of California Irvine 2D 3D TSV
24095934 60 Synthesis and investigation of dihydroxychalcones as calpain and cathepsin inhibitors.BDB Bioorg Chem 51: 24-30 (2013) Ewha Womans University, Seoul 120-750, Republic of Korea. 2D 3D TSV
24095762 18 Design and application of a rigid quinazolone scaffold based on two-face Bima-helix mimicking.EBI Eur J Med Chem 69: 711-8 (2013) Dalian University of Technology 2D 3D TSV
24095761 72 Carbonic anhydrase inhibitors. Synthesis of heterocyclic 4-substituted pyridine-3-sulfonamide derivatives and their inhibition of the human cytosolic isozymes I and II and transmembrane tumor-associated isozymes IX and XII.EBI Eur J Med Chem 69: 701-10 (2013) Medical University of Gdansk 2D 3D TSV
24095757 24 Design, syntheses, and characterization of pharmacophore based chemokine receptor CCR5 antagonists as anti prostate cancer agents.EBI Eur J Med Chem 69: 647-58 (2013) Virginia Commonwealth University 2D 3D TSV
24095756 48 Multifunctional tacrine-flavonoid hybrids with cholinergic,ß-amyloid-reducing, and metal chelating properties for the treatment of Alzheimer's disease.EBI Eur J Med Chem 69: 632-46 (2013) China Pharmaceutical University 2D 3D TSV
24095755 2 Design, synthesis and biological activities of some 7-aminocephalosporanic acid derivatives.EBI Eur J Med Chem 69: 622-31 (2013) Karadeniz Technical University 2D 3D TSV
24095744 8 New combination of pharmacophoric elements of potents1 ligands: design, synthesis ands receptor affinity of aminoethyl substituted tetrahydrobenzothiophenes.EBI Eur J Med Chem 69: 490-7 (2013) Universit£t M£nster 2D 3D TSV
24095096 3 Synthesis and in vitro evaluation of a novel radioligand foravß3 integrin receptor imaging: [18F]FPPA-c(RGDfK).EBI Bioorg Med Chem Lett 23: 6068-72 (2013) University Hospital of Geneva 2D 3D TSV
24095018 24 The discovery and optimization of novel dual inhibitors of topoisomerase II and histone deacetylase.EBI Bioorg Med Chem 21: 6981-95 (2013) East China Normal University 2D 3D TSV
24095016 28 Development of novel ferulic acid derivatives as potent histone deacetylase inhibitors.EBI Bioorg Med Chem 21: 6973-80 (2013) Xi'an Jiaotong University 2D 3D TSV
24095015 4 Perindopril and ramipril phosphonate analogues as a new class of angiotensin converting enzyme inhibitors.EBI Bioorg Med Chem 21: 7216-21 (2013) Universit£ d'Orl£ans 2D 3D TSV
24095014 52 N-Alkyl dien- and trienamides from the roots of Otanthus maritimus with binding affinity for opioid and cannabinoid receptors.EBI Bioorg Med Chem 21: 7074-82 (2013) UOS of Cagliari 2D 3D TSV
24095010 21 Synthesis and pharmacological evaluation of carboxycoumarins as a new antitumor treatment targeting lactate transport in cancer cells.EBI Bioorg Med Chem 21: 7107-17 (2013) Institut de Recherche Exp£rimentale et Clinique (IREC) 2D 3D TSV
24094818 26 6-(4-Pyridyl)pyrimidin-4(3H)-ones as CNS penetrant glycogen synthase kinase-3? inhibitors.EBI Bioorg Med Chem Lett 23: 6928-32 (2013) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
24094816 28 Hit-to-lead optimization of 2-(1H-pyrazol-1-yl)-thiazole derivatives as a novel class of EP1 receptor antagonists.EBI Bioorg Med Chem Lett 23: 6064-7 (2013) Asahi Kasei Pharma Corporation 2D 3D TSV
24094436 23 Synthesis and biological evaluation of 5-carbamoyl-2-phenylpyrimidine derivatives as novel and potent PDE4 inhibitors.EBI Bioorg Med Chem 21: 7025-37 (2013) Kyushu University 2D 3D TSV
24094432 8 Discovery of 2-aryl-8-hydroxy (or methoxy)-isoquinolin-1(2H)-ones as novel EGFR inhibitor by scaffold hopping.EBI Bioorg Med Chem 21: 6956-64 (2013) Xi'an Jiaotong University 2D 3D TSV
24093940 85 Optimization of benzodiazepinones as selective inhibitors of the X-linked inhibitor of apoptosis protein (XIAP) second baculovirus IAP repeat (BIR2) domain.EBI J Med Chem 56: 7788-803 (2013) Hoffmann-La Roche Inc 2D 3D TSV
24092756 18 Molecular basis of cannabinoid CB1 receptor coupling to the G protein heterotrimer Gaiß¿: identification of key CB1 contacts with the C-terminal helix a5 of Gai.BDB J Biol Chem 288: 32449-65 (2013) North Carolina Central University 2D 3D TSV
24091081 49 Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: a template-based approach.EBI Bioorg Med Chem Lett 23: 6178-82 (2013) Merck Research Laboratories 2D 3D TSV
24091080 22 Synthesis, docking, and biological studies of phenanthrene ?-diketo acids as novel HIV-1 integrase inhibitors.EBI Bioorg Med Chem Lett 23: 6146-51 (2013) University of Tennessee Health Science Center 2D 3D TSV
24090918 2 Indenoindoles and cyclopentacarbazoles as bioactive compounds: synthesis and biological applications.EBI Eur J Med Chem 69: 465-79 (2013) The University of Oslo 2D 3D TSV
24090913 42 Synthesis and biological evaluation of novel delta (?) opioid receptor ligands with diazatricyclodecane skeletons.EBI Eur J Med Chem 69: 413-26 (2013) C.N.R. Istituto di Farmacologia Traslazionale 2D 3D TSV
24090912 54 Design, synthesis, and biological evaluation of novel 2-ethyl-5-phenylthiazole-4-carboxamide derivatives as protein tyrosine phosphatase 1B inhibitors with improved cellular efficacy.EBI Eur J Med Chem 69: 399-412 (2013) Chinese Academy of Sciences 2D 3D TSV
24090602 21 Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.EBI Bioorg Med Chem 21: 7210-5 (2013) University of Florida 2D 3D TSV
24090443 1 Expeditious synthesis, enantiomeric resolution, and enantiomer functional characterization of (4-(4-bromophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide (4BP-TQS): an allosteric agonist-positive allosteric modulator of α7 nicotinic acetylcholine receptors.EBI J Med Chem 56: 8943-7 (2013) Northeastern University 2D 3D TSV
24090423 13 Identification and structure-activity relationship study of carvacrol derivatives as Mycobacterium tuberculosis chorismate mutase inhibitors.BDB J Enzyme Inhib Med Chem 29: 547-54 (2014) Birla Institute of Technology 2D 3D TSV
24090419 36 A systematic quantitative approach to rational drug design and discovery of novel human carbonic anhydrase IX inhibitors.BDB J Enzyme Inhib Med Chem 29: 571-81 (2014) Birla Institute of Technology 2D 3D TSV
24090364 96 Replacement of Thr32 and Gln34 in the C-terminal neuropeptide Y fragment 25-36 by cis-cyclobutane and cis-cyclopentane β-amino acids shifts selectivity toward the Y(4) receptor.EBI J Med Chem 56: 8422-31 (2013) University of Regensburg 2D 3D TSV
24090311 12 Discovery of novel small-molecule inhibitors of BRD4 using structure-based virtual screening.EBI J Med Chem 56: 8073-88 (2013) The Institute of Cancer Research 2D 3D TSV
24090135 201 Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: potent inhibitors of R5 HIV-1 replication.EBI J Med Chem 56: 8049-65 (2013) Sanofi 2D 3D TSV
24088190 38 Thiazolopyridine ureas as novel antitubercular agents acting through inhibition of DNA Gyrase B.EBI Cell Chem Biol 56: 8834-48 (2013) AstraZeneca India Pvt. Ltd. 2D 3D TSV
24088171 19 Molecular basis for the long duration of action and kinetic selectivity of tiotropium for the muscarinic M3 receptor.EBI J Med Chem 56: 8746-56 (2013) Boehringer Ingelheim Pharma GmbH & Co. KG 2D 3D TSV
24088053 11 Experimental confirmation of new drug-target interactions predicted by Drug Profile Matching.EBI J Med Chem 56: 8377-88 (2013) E£tv£s Lor£nd University 2D 3D TSV
24084296 9 In vitro structure-activity relationships of aplysinopsin analogs and their in vivo evaluation in the chick anxiety-depression model.EBI Bioorg Med Chem 21: 7083-90 (2013) University of Mississippi 2D 3D TSV
24084160 42 Design and synthesis of novel pyrimidone analogues as HIV-1 integrase inhibitors.EBI Bioorg Med Chem Lett 23: 6134-7 (2013) Shandong University 2D 3D TSV
24083941 7 Nonhydrolyzable ATP analogues as selective inhibitors of human NPP1: a combined computational/experimental study.EBI J Med Chem 56: 8308-20 (2013) Université Laval 2D 3D TSV
24083878 61 Chiral 1,3,4-oxadiazol-2-ones as highly selective FAAH inhibitors.EBI J Med Chem 56: 8484-96 (2013) University of Eastern Finland 2D 3D TSV
24083782 48 Benzazepinones and benzoxazepinones as antagonists of inhibitor of apoptosis proteins (IAPs) selective for the second baculovirus IAP repeat (BIR2) domain.EBI J Med Chem 56: 7772-87 (2013) Hoffmann-La Roche Inc 2D 3D TSV
24083656 52 Substrate-based fragment identification for the development of selective, nonpeptidic inhibitors of striatal-enriched protein tyrosine phosphatase.EBI J Med Chem 56: 7636-50 (2013) Yale University 2D 3D TSV
24083411 7 Effects of novel human cathepsin S inhibitors on cell migration in human cancer cells.BDB J Enzyme Inhib Med Chem 29: 538-46 (2014) National Tsing Hua University 2D 3D TSV
24080463 1 Restraining the flexibility of the central linker in terameprocol results in constrained analogs with improved growth inhibitory activity.EBI Bioorg Med Chem Lett 23: 6127-33 (2013) National University of Singapore 2D 3D TSV
24080460 24 Serendipity in drug-discovery: a new series of 2-(benzyloxy)benzamides as TRPM8 antagonists.EBI Bioorg Med Chem Lett 23: 6118-22 (2013) Pfizer Inc 2D 3D TSV
24079912 6 Kinetic and thermodynamic rationale for suberoylanilide hydroxamic acid being a preferential human histone deacetylase 8 inhibitor as compared to the structurally similar ligand, trichostatin a.BDB Biochemistry 52: 8139-49 (2013) North Dakota State University 2D 3D TSV
24079820 6 Use of 2'-spirocyclic ethers in HCV nucleoside design.EBI J Med Chem 57: 1826-35 (2014) Pharmasset, Inc. 2D 3D TSV
24079662 54 Rational development of 4-aminopyridyl-based inhibitors targeting Trypanosoma cruzi CYP51 as anti-chagas agents.EBI J Med Chem 56: 7651-68 (2013) Scripps Florida 2D 3D TSV
24077529 1 Design, synthesis and efficacy of novel G protein-coupled receptor kinase 2 inhibitors.EBI Eur J Med Chem 69: 384-92 (2013) University of Naples 2D 3D TSV
24077527 11 Squaric acid/4-aminoquinoline conjugates: novel potent antiplasmodial agents.EBI Eur J Med Chem 69: 365-72 (2013) University of Lisbon. Av. Prof. Gama Pinto 2D 3D TSV
24077526 8 Development of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine derivatives as novel Mycobacterium tuberculosis pantothenate synthetase inhibitors.EBI Eur J Med Chem 69: 356-64 (2013) Birla Institute of Technology 2D 3D TSV
24077183 32 Modulation of A2B adenosine receptor by 1-Benzyl-3-ketoindole derivatives.EBI Eur J Med Chem 69: 331-7 (2013) Universit£ di Pisa 2D 3D TSV
24076173 64 Reversible inhibition of human acetylcholinesterase by methoxypyridinium species.EBI Bioorg Med Chem Lett 23: 5786-9 (2013) The University of Iowa 2D 3D TSV
24076172 30 Discovery of a potent, selective, and orally bioavailable histamine H3 receptor antagonist SAR110068 for the treatment of sleep-wake disorders.EBI Bioorg Med Chem Lett 23: 6141-5 (2013) Sanofi US 2D 3D TSV
24075732 43 Discovery of a novel sub-class of ROMK channel inhibitors typified by 5-(2-(4-(2-(4-(1H-Tetrazol-1-yl)phenyl)acetyl)piperazin-1-yl)ethyl)isobenzofuran-1(3H)-one.EBI Bioorg Med Chem Lett 23: 5829-32 (2013) Merck Research Laboratories 2D 3D TSV
24075729 4 Structure-based identification of novel PPAR gamma ligands.EBI Bioorg Med Chem Lett 23: 5795-802 (2013) Universidade Federal do ABC 2D 3D TSV
24075145 17 Identification, biological characterization and pharmacophoric analysis of a new potent and selective NK1 receptor antagonist clinical candidate.EBI Bioorg Med Chem 21: 6264-73 (2013) GlaxoSmithKline 2D 3D TSV
24074877 135 Dimeric argininamide-type neuropeptide Y receptor antagonists: chiral discrimination between Y1 and Y4 receptors.EBI Bioorg Med Chem 21: 6303-22 (2013) University of Regensburg 2D 3D TSV
24074876 17 Synthesis of sterically encumbered 11ß-aminoprogesterone derivatives and evaluation as 11ß-hydroxysteroid dehydrogenase inhibitors and mineralocorticoid receptor antagonists.EBI Bioorg Med Chem 21: 6274-81 (2013) University of Alberta 2D 3D TSV
24074844 6 Identification of novel PARP-1 inhibitors by structure-based virtual screening.EBI Bioorg Med Chem Lett 23: 5790-4 (2013) St. John's University 2D 3D TSV
24074843 2 Discovery of VU0409106: A negative allosteric modulator of mGlu5 with activity in a mouse model of anxiety.EBI Bioorg Med Chem Lett 23: 5779-85 (2013) Vanderbilt University Medical Center 2D 3D TSV
24074257 6 Synthesis and bioconversions of formestane.EBI J Nat Prod 76: 1966-9 (2013) The University of Tampa 2D 3D TSV
24074052 24 Probing structural requirements of positive allosteric modulators of the M4 muscarinic receptor.EBI J Med Chem 56: 8196-200 (2013) Monash University 2D 3D TSV
24074025 3 Investigating the selectivity of metalloenzyme inhibitors.EBI J Med Chem 56: 7997-8007 (2013) University of California San Diego 2D 3D TSV
24073986 94 Novel selective and potent inhibitors of malaria parasite dihydroorotate dehydrogenase: discovery and optimization of dihydrothiophenone derivatives.EBI J Med Chem 56: 7911-24 (2013) State Key Laboratory of Bioreactor Engineering 2D 3D TSV
24073326 34 Development of new EBI Medchemcomm 4: 932-941 (2013) Moffitt Cancer Center 2D 3D TSV
24072711 28 The SUMO1-E67 interacting loop peptide is an allosteric inhibitor of the dipeptidyl peptidases 8 and 9.BDB J Biol Chem 288: 32787-96 (2013) Georg-August-University of Goettingen 2D 3D TSV
24072709 11 Crystal structure and pharmacological characterization of a novel N-methyl-D-aspartate (NMDA) receptor antagonist at the GluN1 glycine binding site.BDB J Biol Chem 288: 33124-35 (2013) University of Copenhagen 2D 3D TSV
24072703 64 Structural determinants of Tau aggregation inhibitor potency.BDB J Biol Chem 288: 32599-611 (2013) The Ohio State University 2D 3D TSV
24071448 24 Arylamino methylene bisphosphonate derivatives as bone seeking matrix metalloproteinase inhibitors.EBI Bioorg Med Chem 21: 6456-65 (2013) Universit£ degli Studi 'Aldo Moro' di Bari 2D 3D TSV
24071447 39 Synthesis and structure-activity relationship of 2-phenyliminochromene derivatives as inhibitors for aldo-keto reductase (AKR) 1B10.EBI Bioorg Med Chem 21: 6378-84 (2013) Gifu Pharmaceutical University 2D 3D TSV
24071446 39 Design and bio-evaluation of indole derivatives as potent Kv1.5 inhibitors.EBI Bioorg Med Chem 21: 6466-76 (2013) China Pharmaceutical University 2D 3D TSV
24071445 30 Synthesis and biological evaluation of novel C-aryl d-glucofuranosides as sodium-dependent glucose co-transporter 2 inhibitors.EBI Bioorg Med Chem 21: 6282-91 (2013) National Taiwan University 2D 3D TSV
24070783 9 Discovery of (S,E)-3-(2-fluorophenyl)-N-(1-(3-(pyridin-3-yloxy)phenyl)ethyl)-acrylamide as a potent and efficacious KCNQ2 (Kv7.2) opener for the treatment of neuropathic pain.EBI Bioorg Med Chem Lett 23: 6188-91 (2013) Bristol-Myers Squibb Co. 2D 3D TSV
24070067 20 Fluorescence Linked Enzyme Chemoproteomic Strategy for Discovery of a Potent and Selective DAPK1 and ZIPK Inhibitor.BDB ACS Chem Biol 8: 2715-23 (2013) Duke University Medical Center 2D 3D TSV
24070012 24 Small molecule probe suitable for in situ profiling and inhibition of protein disulfide isomerase.BDB ACS Chem Biol 8: 2577-85 (2013) National University of Singapore 2D 3D TSV
24069953 6 Discovery of a novel series of potent non-nucleoside inhibitors of hepatitis C virus NS5B.EBI J Med Chem 56: 8163-82 (2013) Hoffmann-La Roche Inc 2D 3D TSV
24063907 14 Further SAR studies on bicyclic basic merbarone analogues as potent antiproliferative agents.EBI Bioorg Med Chem 21: 6328-36 (2013) Universit£ degli Studi di Genova 2D 3D TSV
24063433 72 Structure-activity relationships and discovery of a G protein biased ? opioid receptor ligand, [(3-methoxythiophen-2-yl)methyl]({2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro-[4.5]decan-9-yl]ethyl})amine (TRV130), for the treatment of acute severe pain.EBI J Med Chem 56: 8019-31 (2013) Trevena, Inc. 2D 3D TSV
24063417 14 Preparation of asymmetric urea derivatives that target prostate-specific membrane antigen for SPECT imaging.EBI J Med Chem 56: 7890-901 (2013) Kyoto University 2D 3D TSV
24063369 20 Design, synthesis, and biological and crystallographic evaluation of novel inhibitors of Plasmodium falciparum enoyl-ACP-reductase (PfFabI).EBI J Med Chem 56: 7516-26 (2013) University of Bologna 2D 3D TSV
24062308 21 Identification of conformationally sensitive residues essential for inhibition of vesicular monoamine transport by the noncompetitive inhibitor tetrabenazine.BDB J Biol Chem 288: 32160-71 (2013) Hebrew University of Jerusalem 2D 3D TSV
24060489 1 Investigation of 3-aryl-pyrimido[5,4-e][1,2,4]triazine-5,7-diones as small molecule antagonists ofß-catenin/TCF transcription.EBI Bioorg Med Chem Lett 23: 5814-20 (2013) University of Michigan 2D 3D TSV
24060488 6 Flavone-based analogues inspired by the natural product simocyclinone D8 as DNA gyrase inhibitors.EBI Bioorg Med Chem Lett 23: 5874-7 (2013) Virginia Commonwealth University 2D 3D TSV
24060487 14 Exploring the molecular determinants of substrate-selective inhibition of cyclooxygenase-2 by lumiracoxib.EBI Bioorg Med Chem Lett 23: 5860-4 (2013) Vanderbilt University 2D 3D TSV
24059701 21 Discovery of a series of hydroximic acid derivatives as potent histone deacetylase inhibitors.BDB J Enzyme Inhib Med Chem 29: 582-9 (2014) Qingdao University 2D 3D TSV
24058293 12 Modulation of global low-frequency motions underlies allosteric regulation: demonstration in CRP/FNR family transcription factors.BDB PLoS Biol 11: (2013) Durham University 2D 3D TSV
24055079 34 Novel complex crystal structure of prolyl hydroxylase domain-containing protein 2 (PHD2): 2,8-Diazaspiro[4.5]decan-1-ones as potent, orally bioavailable PHD2 inhibitors.EBI Bioorg Med Chem 21: 6349-58 (2013) GlaxoSmithKline 2D 3D TSV
24055078 14 Synthesis of amino-hydroxy-benzocycloheptenones as potent, selective, non-peptidic dinuclear zinc metalloaminopeptidase inhibitors.EBI Bioorg Med Chem 21: 6447-55 (2013) Universit£ de Haute Alsace 2D 3D TSV
24055077 8 Towards new C6-rigid S-DABO HIV-1 reverse transcriptase inhibitors: synthesis, biological investigation and molecular modeling studies.EBI Bioorg Med Chem 21: 6477-83 (2013) Fudan University 2D 3D TSV
24055076 8 Binding mode characterization of 6?- and 6?-N-heterocyclic substituted naltrexamine derivatives via docking in opioid receptor crystal structures and site-directed mutagenesis studies: application of the 'message-address' concept in development of mu opioid receptor selective antagonists.EBI Bioorg Med Chem 21: 6405-13 (2013) Virginia Commonwealth University 2D 3D TSV
24055075 42 Synthesis and pharmacological evaluation of novel N-aryl-3,4-dihydro-1'H-spiro[chromene-2,4'-piperidine]-1'-carboxamides as TRPM8 antagonists.EBI Bioorg Med Chem 21: 6542-53 (2013) Glenmark Pharmaceuticals Ltd 2D 3D TSV
24055046 11 Synthesis and biological evaluation of 1,2,4-trisubstituted imidazoles as inhibitors of transforming growth factor-ß type I receptor (ALK5).EBI Bioorg Med Chem Lett 23: 5850-4 (2013) Capital Normal University 2D 3D TSV
24055006 38 A small molecule screen identifies selective inhibitors of urea transporter UT-A.BDB Chem Biol 20: 1235-44 (2013) University of California San Francisco 2D 3D TSV
24054487 19 Bacterial neuraminidase inhibitory effects of prenylated isoflavones from roots of Flemingia philippinensis.EBI Bioorg Med Chem 21: 6398-404 (2013) Graduate School of Gyeongsang National University 2D 3D TSV
24054122 26 Synthesis and biological evaluation of a new series of N-ylides as protein farnesyltransferase inhibitors.EBI Bioorg Med Chem Lett 23: 5887-92 (2013) 'Al. I. Cuza' University of Iasi 2D 3D TSV
24054120 5 The thermodynamic basis for the use of lipophilic efficiency (LipE) in enthalpic optimizations.EBI Bioorg Med Chem Lett 23: 5992-6000 (2013) Novartis Institutes for BioMedical Research 2D 3D TSV
24053674 80 Discovery of pteridin-7(8H)-one-based irreversible inhibitors targeting the epidermal growth factor receptor (EGFR) kinase T790M/L858R mutant.EBI J Med Chem 56: 7821-37 (2013) East China University of Science & Technology 2D 3D TSV
24053646 43 3-aroylmethylene-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-ones as potent Nrf2/ARE inducers in human cancer cells and AOM-DSS treated mice.EBI J Med Chem 56: 7925-38 (2013) China Pharmaceutical University 2D 3D TSV
24053596 10 Telomere maintenance as a target for drug discovery.EBI J Med Chem 57: 521-38 (2014) University of North Carolina at Chapel Hill 2D 3D TSV
24051074 26 Conformational restriction approach to ?-secretase (BACE1) inhibitors III: effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations.EBI Bioorg Med Chem 21: 6506-22 (2013) Hokkaido University 2D 3D TSV
24050887 49 Synthesis and SAR studies of benzimidazolone derivatives as histamine H3-receptor antagonists.EBI Bioorg Med Chem Lett 23: 6001-3 (2013) Merck Research Laboratories 2D 3D TSV
24050790 1 Identification of a novel benzoxazolone derivative as a selective, orally active 18 kDa translocator protein (TSPO) ligand.EBI J Med Chem 56: 8191-5 (2013) Dainippon Sumitomo Pharma Co., Ltd 2D 3D TSV
24050755 10 Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide (ML254).EBI J Med Chem 56: 7976-96 (2013) Vanderbilt University 2D 3D TSV
24050653 59 Derivatives of dibenzothiophene for positron emission tomography imaging ofa7-nicotinic acetylcholine receptors.EBI J Med Chem 56: 7574-89 (2013) The Johns Hopkins University School of Medicine 2D 3D TSV
24050112 1 New serotonin 5-HT1A receptor agonists endowed with antinociceptive activity in vivo.EBI J Med Chem 56: 7851-61 (2013) Universidad Complutense de Madrid 2D 3D TSV
24047900 19 Complexes of Trypanosoma cruzi sterol 14a-demethylase (CYP51) with two pyridine-based drug candidates for Chagas disease: structural basis for pathogen selectivity.BDB J Biol Chem 288: 31602-15 (2013) Vanderbilt University 2D 3D TSV
24047800 19 Evaluation of licorice flavonoids as protein tyrosine phosphatase 1B inhibitors.EBI Bioorg Med Chem Lett 23: 5836-9 (2013) Toho University 2D 3D TSV
24047231 52 Design, synthesis and discovery of picomolar selective α4β2 nicotinic acetylcholine receptor ligands.EBI J Med Chem 56: 8404-21 (2013) Georgetown University 2D 3D TSV
24047141 64 Design, synthesis, and biological evaluation of novel investigational nonapeptide KISS1R agonists with testosterone-suppressive activity.EBI J Med Chem 56: 8298-307 (2013) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
24044938 6 Synthesis and in vitro/in vivo antibacterial activity of oxazolidinones having thiocarbamate at C-5 on the A-ring and an amide- or urea-substituted [1,2,5]triazepane or [1,2,5]oxadiazepane as the C-ring.EBI Eur J Med Chem 69: 262-77 (2013) Research Foundation Itsuu Laboratory 2D 3D TSV
24044937 59 Aggrecanase-2 inhibitors based on the acylthiosemicarbazide zinc-binding group.EBI Eur J Med Chem 69: 244-61 (2013) University of Lille 2D 3D TSV
24044867 86 Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3.EBI J Med Chem 56: 8032-48 (2013) Califia Bio Inc. 2D 3D TSV
24044500 2 Synthesis and structure-activity relationship studies of novel dihydropyridones as androgen receptor modulators.EBI J Med Chem 56: 8280-97 (2013) National Cancer Institute-Frederick 2D 3D TSV
24044434 71 Selective arylsulfonamide inhibitors of ADAM-17: hit optimization and activity in ovarian cancer cell models.EBI J Med Chem 56: 8089-103 (2013) Università di Pisa 2D 3D TSV
24044354 11 A general method for making peptide therapeutics resistant to serine protease degradation: application to dipeptidyl peptidase IV substrates.EBI J Med Chem 56: 8339-51 (2013) Tufts University 2D 3D TSV
24042009 89 Design and evaluation of novel 8-oxo-pyridopyrimidine Jak1/2 inhibitors.EBI Bioorg Med Chem Lett 23: 5923-30 (2013) Genentech Inc 2D 3D TSV
24042008 6 [(4-Hydroxyl-benzo[4,5]thieno[3,2-c]pyridine-3-carbonyl)-amino]-acetic acid derivatives; HIF prolyl 4-hydroxylase inhibitors as oral erythropoietin secretagogues.EBI Bioorg Med Chem Lett 23: 5953-7 (2013) Sungkyunkwan University 2D 3D TSV
24042006 78 Imidazo[4,5-b]pyridine inhibitors of B-Raf kinase.EBI Bioorg Med Chem Lett 23: 5896-9 (2013) Array BioPharma Inc. 2D 3D TSV
24042005 2 Synthesis and assessment of catechol diether compounds as inhibitors of trypanosomal phosphodiesterase B1 (TbrPDEB1).EBI Bioorg Med Chem Lett 23: 5971-4 (2013) Northeastern University 2D 3D TSV
24041123 20 Peripherally selective diphenyl purine antagonist of the CB1 receptor.EBI J Med Chem 56: 8066-72 (2013) Research Triangle Institute 2D 3D TSV
24040942 632 Small-molecule ligands of methyl-lysine binding proteins: optimization of selectivity for L3MBTL3.EBI J Med Chem 56: 7358-71 (2013) University of North Carolina at Chapel Hill 2D 3D TSV
24040835 14 The natural product dihydrotanshinone I provides a prototype for uncharged inhibitors that bind specifically to the acetylcholinesterase peripheral site with nanomolar affinity.BDB Biochemistry 52: 7486-99 (2013) Mayo Clinic 2D 3D TSV
24040486 30 Identification of Potent and Selective Diphenylpropanamide ROR? Inhibitors.EBI ACS Med Chem Lett 4: 79-84 (2013) New York University School of Medicine 2D 3D TSV
24036119 2 Role of the two structural domains from the periplasmic Escherichia coli histidine-binding protein HisJ.BDB J Biol Chem 288: 31409-22 (2013) University of Calgary 2D 3D TSV
24036043 22 Novel N-methylsulfonamide and retro-N-methylsulfonamide derivatives as 17ß-hydroxysteroid dehydrogenase type 2 (17ß-HSD2) inhibitors with good ADME-related physicochemical parameters.EBI Eur J Med Chem 69: 201-15 (2013) Saarland University 2D 3D TSV
24036042 2 Discovery of 4-amino-2-(thio)phenol derivatives as novel protein kinase and angiogenesis inhibitors for the treatment of cancer: synthesis and biological evaluation. Part II.EBI Eur J Med Chem 69: 191-200 (2013) Shandong University 2D 3D TSV
24035514 59 TRPV1 antagonist with high analgesic efficacy: 2-Thio pyridine C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides.EBI Bioorg Med Chem 21: 6657-64 (2013) Seoul National University 2D 3D TSV
24035485 48 Bicyclic and tricyclic heterocycle derivatives as histamine H3 receptor antagonists for the treatment of obesity.EBI Bioorg Med Chem Lett 23: 6004-9 (2013) Merck Research Laboratories 2D 3D TSV
24035340 3 Synthesis of VS-105: A novel and potent vitamin D receptor agonist with reduced hypercalcemic effects.EBI Bioorg Med Chem Lett 23: 5949-52 (2013) Vidasym 2D 3D TSV
24035339 4 Synthesis and HDAC inhibitory activity of isosteric thiazoline-oxazole largazole analogs.EBI Bioorg Med Chem Lett 23: 6025-8 (2013) Colorado State University 2D 3D TSV
24035338 82 Discovery of 2,8-diazaspiro[4.5]decane-based trisubstituted urea derivatives as highly potent soluble epoxide hydrolase inhibitors and orally active drug candidates for treating hypertension.EBI Bioorg Med Chem Lett 23: 5975-9 (2013) Toray Industries Inc 2D 3D TSV
24035337 10 2-Amino-6-chloro-3,4-dihydroquinazoline: A novel 5-HT3 receptor antagonist with antidepressant character.EBI Bioorg Med Chem Lett 23: 5945-8 (2013) Virginia Commonwealth University 2D 3D TSV
24035092 2 Identification of new inhibitors for low molecular weight protein tyrosine phosphatase isoform B.EBI Bioorg Med Chem Lett 23: 5912-4 (2013) Saint John's University 2D 3D TSV
24032981 25 IspC as target for antiinfective drug discovery: synthesis, enantiomeric separation, and structural biology of fosmidomycin thia isosters.EBI J Med Chem 56: 8151-62 (2013) Lehrstuhl für Biochemie 2D 3D TSV
24028535 28 Structure-kinetic relationships--an overlooked parameter in hit-to-lead optimization: a case of cyclopentylamines as chemokine receptor 2 antagonists.EBI J Med Chem 56: 7706-14 (2013) Leiden University 2D 3D TSV
24028490 46 O-phenyl carbamate and phenyl urea thiiranes as selective matrix metalloproteinase-2 inhibitors that cross the blood-brain barrier.EBI J Med Chem 56: 8139-50 (2013) University of Notre Dame 2D 3D TSV
24026016 56 Synthesis and biological evaluation of N-(2-fluorophenyl)-2ß-deoxyfuconojirimycin acetamide as a potent inhibitor fora-l-fucosidases.EBI Bioorg Med Chem 21: 6565-73 (2013) University of Toyama 2D 3D TSV
24025069 36 Design, synthesis, and structure-activity relationships of azolylmethylpyrroloquinolines as nonsteroidal aromatase inhibitors.EBI J Med Chem 56: 7536-51 (2013) University of Padova 2D 3D TSV
24025027 5 Inhibiting the HIV integration process: past, present, and the future.EBI J Med Chem 57: 539-66 (2014) "Sapienza" Universit£ di Roma 2D 3D TSV
24022489 18 Structural basis of mycobacterial inhibition by cyclomarin ABDB J Biol Chem 288: 30883-91 (2013) Novartis Institute for Tropical Diseases 2D 3D TSV
24021582 52 Discovery and characterization of NVP-QAV680, a potent and selective CRTh2 receptor antagonist suitable for clinical testing in allergic diseases.EBI Bioorg Med Chem 21: 6582-91 (2013) Novartis Institutes for BioMedical Research 2D 3D TSV
24021581 72 Selective inhibition of heme oxygenase-2 activity by analogs of 1-(4-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole (clemizole): Exploration of the effects of substituents at the N-1 position.EBI Bioorg Med Chem 21: 6788-95 (2013) Queen's University 2D 3D TSV
24021463 37 Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).EBI Bioorg Med Chem Lett 23: 5488-97 (2013) Forma Therapeutics Inc 2D 3D TSV
24018188 4 Influences of hydrocarbon linkers on the receptor binding affinities of gonadotropin-releasing hormone peptides.EBI Bioorg Med Chem Lett 23: 5484-7 (2013) University of New Mexico 2D 3D TSV
24015967 71 Discovery of epigenetic regulator I-BET762: lead optimization to afford a clinical candidate inhibitor of the BET bromodomains.EBI J Med Chem 56: 7501-15 (2013) GlaxoSmithKline 2D 3D TSV
24015910 18 Identification of a new class of glucokinase activators through structure-based design.EBI J Med Chem 56: 7669-78 (2013) Array BioPharma 2D 3D TSV
24015767 3 Drug discovery for neglected diseases: molecular target-based and phenotypic approaches.EBI J Med Chem 56: 7719-26 (2013) University of Dundee 2D 3D TSV
24015327 42 Development of a chimeric c-Src kinase and HDAC inhibitor.EBI ACS Med Chem Lett 4: 779-783 (2013) University of Michigan 2D 3D TSV
24013413 9 3-(3-Butylamino-2-hydroxy-propoxy)-1-hydroxy-xanthen-9-one acts as a topoisomerase II? catalytic inhibitor with low DNA damage.EBI Eur J Med Chem 69: 139-45 (2013) Ewha Womans University 2D 3D TSV
24012712 10 Design, synthesis, and structure-activity relationships of novel 6,7-disubstituted-4-phenoxyquinoline derivatives as potential antitumor agents.EBI Eur J Med Chem 69: 77-89 (2013) Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) 2D 3D TSV
24012377 22 Structural study of the location of the phenyl tail of benzene sulfonamides and the effect on human carbonic anhydrase inhibition.EBI Bioorg Med Chem 21: 6674-80 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
24012376 5 Development of a novel fluorine-18 labeled deuterated fluororasagiline ([(18)F]fluororasagiline-D2) radioligand for PET studies of monoamino oxidase B (MAO-B).EBI Bioorg Med Chem 21: 6634-41 (2013) Karolinska Institutet 2D 3D TSV
24012370 44 Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.BDB Chem Biol 20: 1116-24 (2013) University of Massachusetts Medical School, Worcester, MA 01605, USA 2D 3D TSV
24012184 1 Efforts toward broadening the spectrum of arylomycin antibiotic activity.EBI Bioorg Med Chem Lett 23: 5654-9 (2013) The Scripps Research Institute 2D 3D TSV
24012183 91 Identification of 2-amino-5-aryl-pyrazines as inhibitors of human lactate dehydrogenase.EBI Bioorg Med Chem Lett 23: 5533-9 (2013) Genentech 2D 3D TSV
24012182 28 Inhibition of monoamine oxidase by 3,4-dihydro-2(1H)-quinolinone derivatives.EBI Bioorg Med Chem Lett 23: 5498-502 (2013) North-West University 2D 3D TSV
24012181 46 Synthesis and biological evaluation of novel 3,4-diaryl lactam derivatives as triple reuptake inhibitors.EBI Bioorg Med Chem Lett 23: 5515-8 (2013) Sogang University 2D 3D TSV
24012179 30 Calix[4]arene methylenebisphosphonic acids as inhibitors of protein tyrosine phosphatase 1B.EBI Bioorg Med Chem Lett 23: 5619-23 (2013) National Academy of Sciences of Ukraine 2D 3D TSV
24012123 5 New chemotypes for wALADin1-like inhibitors of delta-aminolevulinic acid dehydratase from Wolbachia endobacteria.EBI Bioorg Med Chem Lett 23: 5558-62 (2013) University Hospital of Bonn 2D 3D TSV
24012121 49 Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom helicase.EBI Bioorg Med Chem Lett 23: 5660-6 (2013) National Center for Advancing Translational Sciences 2D 3D TSV
24012118 6 Synthesis and binding affinity of new 1,4-disubstituted triazoles as potential dopamine D(3) receptor ligands.EBI Bioorg Med Chem Lett 23: 5586-91 (2013) Universidad de Santiago de Compostela 2D 3D TSV
24011644 81 Heterocyclic glucocorticoid receptor modulators with a 2,2-dimethyl-3-phenyl-N-(thiazol or thiadiazol-2-yl)propanamide core.EBI Bioorg Med Chem Lett 23: 5571-4 (2013) Bristol-Myers Squibb Co. 2D 3D TSV
24007918 6 A Casein kinase 1/Checkpoint kinase 1 pyrazolo-pyridine protein kinase inhibitor as novel activator of the p53 pathway.EBI Bioorg Med Chem Lett 23: 5578-85 (2013) University of Edinburgh Cancer Research Centre in the Institute of Genetics and Molecular Medicine 2D 3D TSV
24007860 46 Design, synthesis and biological evaluation of a novel class of potent TGR5 agonists based on a 4-phenyl pyridine scaffold.EBI Eur J Med Chem 69: 55-68 (2013) Chinese Academy of Sciences 2D 3D TSV
24007859 33 Nonpeptidic angiotensin II AT? receptor antagonists derived from 6-substituted aminocarbonyl and acylamino benzimidazoles.EBI Eur J Med Chem 69: 44-54 (2013) Beijing Institute of Technology 2D 3D TSV
24007511 10 Nonpeptidic propargylamines as inhibitors of lysine specific demethylase 1 (LSD1) with cellular activity.EBI J Med Chem 56: 7334-42 (2013) University of Freiburg 2D 3D TSV
24004176 16 Selectively targeting prostate cancer with antiandrogen equipped histone deacetylase inhibitors.BDB ACS Chem Biol 8: 2550-60 (2013) Georgia Institute of Technology 2D 3D TSV
24004110 7 Discovery of inhibitors of Bacillus anthracis primase DnaG.BDB Biochemistry 52: 6905-10 (2013) University of Michigan 2D 3D TSV
24003232 14 Structural, functional, and inhibition studies of a Gcn5-related N-acetyltransferase (GNAT) superfamily protein PA4794: a new C-terminal lysine protein acetyltransferase from pseudomonas aeruginosa.BDB J Biol Chem 288: 30223-35 (2013) University of Virginia 2D 3D TSV
24003220 1 Evaluation of cancer dependence and druggability of PRP4 kinase using cellular, biochemical, and structural approaches.BDB J Biol Chem 288: 30125-38 (2013) Sanofi Oncology 2D 3D TSV

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