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| PMID | Data | Article Title | Citation | Organization | Data Download |
|---|---|---|---|---|---|
| 25999205 | 1 | In silico evaluation of human small heat shock protein HSP27: homology modeling, mutation analyses and docking studies. |
Bioorg Med Chem 23: 3215-20 (2015) | Universit£ degli Studi di Genova | 2D 3D TSV |
| 25999203 | 7 | Optimization of rhodanine scaffold for the development of protein-protein interaction inhibitors. |
Bioorg Med Chem 23: 3208-14 (2015) | Universit£ di Messina | 2D 3D TSV |
| 25998503 | 12 | Activity and anion inhibition studies of thea-carbonic anhydrase from Thiomicrospira crunogena XCL-2 Gammaproteobacterium. |
Bioorg Med Chem Lett 25: 4937-40 (2015) | University of Florida | 2D 3D TSV |
| 25998502 | 8 | Discovery of LRRK2 inhibitors using sequential in silico joint pharmacophore space (JPS) and ensemble docking. |
Bioorg Med Chem Lett 25: 2713-9 (2015) | Acelot, Inc. | 2D 3D TSV |
| 25998501 | 79 | Design, synthesis and pharmacology of 1,1-bistrifluoromethylcarbinol derivatives as liver X receptorß-selective agonists. |
Bioorg Med Chem Lett 25: 2668-74 (2015) | Kowa Co., Ltd | 2D 3D TSV |
| 25996453 | 4 | Synthesis of novel 3-aryl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene derivatives and their biological evaluation against protein tyrosine phosphatase 1B. |
Chem Biol Drug Des 86: 1161-7 (2015) | Jiangnan University | 2D 3D TSV |
| 25996309 | 49 | Parallel Synthesis of Hexahydrodiimidazodiazepines Heterocyclic Peptidomimetics and Their in Vitro and in Vivo Activities atµ (MOR),d (DOR), and¿ (KOR) Opioid Receptors. |
J Med Chem 58: 4905-17 (2015) | Torrey Pines Institute for Molecular Studies | 2D 3D TSV |
| 25993619 | 17 | Discovery of Tricyclic Clerodane Diterpenes as Sarco/Endoplasmic Reticulum Ca(2+)-ATPase Inhibitors and Structure-Activity Relationships. |
J Nat Prod 78: 1262-70 (2015) | Albert-Ludwigs-University of Freiburg | 2D 3D TSV |
| 25993395 | 19 | Functional Profiling of 2-Aminopyrimidine Histamine H4 Receptor Modulators. |
J Med Chem 58: 7119-27 (2015) | Janssen Research and Development LLC | 2D 3D TSV |
| 25993269 | 140 | Novel Bioactive Hybrid Compound Dual Targeting Estrogen Receptor and Histone Deacetylase for the Treatment of Breast Cancer. |
J Med Chem 58: 4550-72 (2015) | Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) | 2D 3D TSV |
| 25992974 | 14 | Synthesis and Biological Evaluation of Novel Olean-28,13ß-lactams as Potential Antiprostate Cancer Agents. |
J Med Chem 58: 4506-20 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25992880 | 90 | Discovery and Development of the Aryl O-Sulfamate Pharmacophore for Oncology and Women's Health. |
J Med Chem 58: 7634-58 (2015) | University of Bath | 2D 3D TSV |
| 25991431 | 12 | Quinolyl analogues of norlobelane: novel potent inhibitors of [(3)H]dihydrotetrabenazine binding and [(3)H]dopamine uptake at the vesicular monoamine transporter-2. |
Bioorg Med Chem Lett 25: 2613-6 (2015) | University of Kentucky | 2D 3D TSV |
| 25990761 | 66 | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa) from Natural Product Anabaenopeptin. |
J Med Chem 58: 4839-44 (2015) | Institute for Infection Research | 2D 3D TSV |
| 25988399 | 126 | Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1. |
J Med Chem 58: 5053-74 (2015) | Argenta Discovery Ltd | 2D 3D TSV |
| 25987378 | 2 | Inhibitors of melanogenesis in B16 melanoma 4A5 cells from flower buds of Lawsonia inermis (Henna). |
Bioorg Med Chem Lett 25: 2702-6 (2015) | Kyoto Pharmaceutical University | 2D 3D TSV |
| 25987375 | 20 | Discovery of a novel Kv7 channel opener as a treatment for epilepsy. |
Bioorg Med Chem Lett 25: 4941-4 (2015) | Pfizer Inc | 2D 3D TSV |
| 25987372 | 104 | 9H-Carbazole-1-carboxamides as potent and selective JAK2 inhibitors. |
Bioorg Med Chem Lett 25: 2809-12 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25985283 | 96 | Discovery of Selective Small-Molecule Inhibitors for theß-Catenin/T-Cell Factor Protein-Protein Interaction through the Optimization of the Acyl Hydrazone Moiety. |
J Med Chem 58: 4678-92 (2015) | University of Utah | 2D 3D TSV |
| 25985195 | 94 | Potent and Nontoxic Chemosensitizer of P-Glycoprotein-Mediated Multidrug Resistance in Cancer: Synthesis and Evaluation of Methylated Epigallocatechin, Gallocatechin, and Dihydromyricetin Derivatives. |
J Med Chem 58: 4529-49 (2015) | The Hong Kong Polytechnic University | 2D 3D TSV |
| 25984841 | 19 | Discovery and biological evaluation of tetrahydrothieno[2,3-c]pyridine derivatives as selective metabotropic glutamate receptor 1 antagonists for the potential treatment of neuropathic pain. |
Eur J Med Chem 97: 245-58 (2015) | Korea Institute of Science and Technology | 2D 3D TSV |
| 25984755 | 30 | Pyrimethamine Derivatives: Insight into Binding Mechanism and Improved Enhancement of Mutantß-N-acetylhexosaminidase Activity. |
J Med Chem 58: 4483-93 (2015) | Genetics and Genome Biology, SickKids, PGCRL 686 Bay Street, Toronto, Ontario M5G 0A4, Canada. | 2D 3D TSV |
| 25984647 | 56 | De Novo Conception of Small Molecule Modulators Based on Endogenous Peptide Ligands: Pyrrolodiazepin-2-one¿-Turn Mimics That Differentially Modulate Urotensin II Receptor-Mediated Vasoconstriction ex Vivo. |
J Med Chem 58: 4624-37 (2015) | Universit£ de Montr£al | 2D 3D TSV |
| 25982416 | 43 | Exploring S1 plasticity and probing S1' subsite of mammalian aminopeptidase N/CD13 with highly potent and selective aminobenzosuberone inhibitors. |
Bioorg Med Chem 23: 3192-207 (2015) | Universit£ de Haute Alsace | 2D 3D TSV |
| 25982078 | 13 | Design, synthesis, and biological evaluation of a series of alkoxy-3-indolylacetic acids as peroxisome proliferator-activated receptor¿/d agonists. |
Bioorg Med Chem 23: 3322-36 (2015) | Sookmyung Women's University | 2D 3D TSV |
| 25982075 | 18 | Discovery of biphenyl-aryl ureas as novel VEGFR-2 inhibitors. Part 4: exploration of diverse hinge-binding fragments. |
Bioorg Med Chem 23: 3228-36 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
| 25982074 | 15 | Optimization of 2,4-diamino-5-fluoropyrimidine derivatives as protein kinase C theta inhibitors with mitigated time-dependent drug-drug interactions and P-gp liability. |
Bioorg Med Chem 23: 3269-77 (2015) | Astellas Pharma Inc | 2D 3D TSV |
| 25981690 | 32 | 2-Aminoalkyl nicotinamide derivatives as pure inverse agonists of the ghrelin receptor. |
Bioorg Med Chem Lett 25: 2707-12 (2015) | Asubio Pharma Co., Ltd | 2D 3D TSV |
| 25981685 | 90 | Identification of MK-8133: An orexin-2 selective receptor antagonist with favorable development properties. |
Bioorg Med Chem Lett 25: 2488-92 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25980913 | 9 | Allobetulin derived seco-oleananedicarboxylates act as inhibitors of acetylcholinesterase. |
Bioorg Med Chem Lett 25: 2654-6 (2015) | Martin-Luther-Universit£t Halle-Wittenberg | 2D 3D TSV |
| 25980912 | 41 | Design of selective PI3Ka inhibitors starting from a promiscuous pan kinase scaffold. |
Bioorg Med Chem Lett 25: 2679-85 (2015) | AstraZeneca | 2D 3D TSV |
| 25980909 | 16 | Compounds from the insect Blaps japanensis with COX-1 and COX-2 inhibitory activities. |
Bioorg Med Chem Lett 25: 2469-72 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25978966 | 65 | Development of a novel class of potent and selective FIXa inhibitors. |
Bioorg Med Chem Lett 25: 4945-9 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25978964 | 60 | Identification of indole inhibitors of human hematopoietic prostaglandin D2 synthase (hH-PGDS). |
Bioorg Med Chem Lett 25: 2496-500 (2015) | AstraZeneca | 2D 3D TSV |
| 25978963 | 70 | Hydroxy tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of RHS moiety (Part-3). |
Bioorg Med Chem Lett 25: 2473-8 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25978962 | 8 | Separation and peroxisome proliferator-activated receptor-¿ agonist activity evaluation of synthetic racemic bavachinin enantiomers. |
Bioorg Med Chem Lett 25: 2579-83 (2015) | Shanghai University of Traditional Chinese Medicine | 2D 3D TSV |
| 25978520 | 9 | Nodulisporiviridins A-H, Bioactive Viridins from Nodulisporium sp. |
J Nat Prod 78: 1221-30 (2015) | Jinan University | 2D 3D TSV |
| 25978072 | 53 | Synthesis and Biological Evaluation of Cyclopentaquinoline Derivatives as Nonsteroidal Glucocorticoid Receptor Antagonists. |
J Med Chem 58: 4918-26 (2015) | TBA | 2D 3D TSV |
| 25977981 | 76 | Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of ERK1/2. |
J Med Chem 58: 4790-801 (2015) | TBA | 2D 3D TSV |
| 25975642 | 9 | Synthetic 1,2,3-triazole-linked glycoconjugates bind with high affinity to human galectin-3. |
Bioorg Med Chem 23: 3414-25 (2015) | FCFRP - USP | 2D 3D TSV |
| 25975640 | 60 | Structure-based design and synthesis of covalent-reversible inhibitors to overcome drug resistance in EGFR. |
Bioorg Med Chem 23: 2767-80 (2015) | Technische Universit£t Dortmund | 2D 3D TSV |
| 25975638 | 23 | Design, synthesis and biological evaluation of bivalent benzoxazolone and benzothiazolone ligands as potential anti-inflammatory/analgesic agents. |
Bioorg Med Chem 23: 3248-59 (2015) | Beni-Suef University | 2D 3D TSV |
| 25974739 | 17 | Dual-Mode HDAC Prodrug for Covalent Modification and Subsequent Inhibitor Release. |
J Med Chem 58: 4812-21 (2015) | University of California | 2D 3D TSV |
| 25974655 | 5 | Novel Potent Orthosteric Antagonist of ASIC1a Prevents NMDAR-Dependent LTP Induction. |
J Med Chem 58: 4449-61 (2015) | Bogomoletz Institute of Physiology of NAS Ukraine | 2D 3D TSV |
| 25974391 | 78 | Discovery of a Chemical Tool Inhibitor Targeting the Bromodomains of TRIM24 and BRPF. |
J Med Chem 59: 1642-7 (2016) | University of Oxford | 2D 3D TSV |
| 25971770 | 10 | Progress in discovery of small-molecule modulators of protein-protein interactions via fragment screening. |
Bioorg Med Chem Lett 25: 2461-8 (2015) | Pfizer Inc | 2D 3D TSV |
| 25971769 | 25 | Discovery of bicyclic pyrazoles as class III histone deacetylase SIRT1 and SIRT2 inhibitors. |
Bioorg Med Chem Lett 25: 2514-8 (2015) | MethylGene Inc | 2D 3D TSV |
| 25970480 | 26 | Challenges in the Discovery of Indoleamine 2,3-Dioxygenase 1 (IDO1) Inhibitors. |
J Med Chem 58: 9421-37 (2015) | SIB Swiss Institute of Bioinformatics | 2D 3D TSV |
| 25970224 | 55 | Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs. |
J Med Chem 58: 4693-702 (2015) | The University of Wollongong and The Illawarra Health and Medical Research Institute | 2D 3D TSV |
| 25970039 | 209 | Structure-activity relationships of lysophosphatidylserine analogs as agonists of G-protein-coupled receptors GPR34, P2Y10, and GPR174. |
J Med Chem 58: 4204-19 (2015) | The University of Tokyo | 2D 3D TSV |
| 25969170 | 38 | Design, synthesis and anticholinesterase activity of novel benzylidenechroman-4-ones bearing cyclic amine side chain. |
Eur J Med Chem 97: 181-9 (2015) | Tehran University of Medicinal Sciences | 2D 3D TSV |
| 25969169 | 54 | A solid-phase combinatorial approach for indoloquinolizidine-peptides with high affinity at D(1) and D(2) dopamine receptors. |
Eur J Med Chem 97: 173-80 (2015) | University of Barcelona | 2D 3D TSV |
| 25965977 | 15 | Design and synthesis of newer potential 4-(N-acetylamino)phenol derived piperazine derivatives as potential cognition enhancers. |
Bioorg Chem 60: 64-73 (2015) | Panjab University | 2D 3D TSV |
| 25965897 | 15 | New Monocyclic, Bicyclic, and Tricyclic Ethynylcyanodienones as Activators of the Keap1/Nrf2/ARE Pathway and Inhibitors of Inducible Nitric Oxide Synthase. |
J Med Chem 58: 4738-48 (2015) | Stony Brook University | 2D 3D TSV |
| 25965804 | 80 | Discovery of 1-(3,3-dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea (LY3009120) as a pan-RAF inhibitor with minimal paradoxical activation and activity against BRAF or RAS mutant tumor cells. |
J Med Chem 58: 4165-79 (2015) | Eli Lilly and Company | 2D 3D TSV |
| 25965778 | 10 | Novel myricetin derivatives: Design, synthesis and anticancer activity. |
Eur J Med Chem 97: 155-63 (2015) | Guizhou University | 2D 3D TSV |
| 25965777 | 58 | Structure-activity relationships and molecular studies of novel arylpiperazinylalkyl purine-2,4-diones and purine-2,4,8-triones with antidepressant and anxiolytic-like activity. |
Eur J Med Chem 97: 142-54 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
| 25961960 | 118 | N-Substituted Quinolinonyl Diketo Acid Derivatives as HIV Integrase Strand Transfer Inhibitors and Their Activity against RNase H Function of Reverse Transcriptase. |
J Med Chem 58: 4610-23 (2015) | "Sapienza" Universit£ di Roma | 2D 3D TSV |
| 25961169 | 8 | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics. |
J Med Chem 58: 4727-37 (2015) | Eli Lilly and Company | 2D 3D TSV |
| 25958247 | 22 | Synthesis and studies on the mGluR agonist activity of FAP4 stereoisomers. |
Bioorg Med Chem Lett 25: 2523-6 (2015) | Univ. Rouen | 2D 3D TSV |
| 25958245 | 38 | Discovery of bisamide-heterocycles as inhibitors of scavenger receptor BI (SR-BI)-mediated lipid uptake. |
Bioorg Med Chem Lett 25: 2594-8 (2015) | Marquette University | 2D 3D TSV |
| 25956953 | 51 | Indole based peptidomimetics as anti-inflammatory and anti-hyperalgesic agents: Dual inhibition of 5-LOX and COX-2 enzymes. |
Eur J Med Chem 97: 104-23 (2015) | Guru Nanak Dev University | 2D 3D TSV |
| 25956827 | 13 | Antioxidant and acetylcholinesterase inhibition properties of novel bromophenol derivatives. |
Bioorg Chem 60: 49-57 (2015) | Ataturk University | 2D 3D TSV |
| 25956413 | 12 | Synthesis and evaluation of constrained phosphoramidate inhibitors of prostate-specific membrane antigen. |
Bioorg Med Chem Lett 25: 2536-9 (2015) | Washington State University | 2D 3D TSV |
| 25955493 | 7 | Isatin based Schiff bases as inhibitors of a-glucosidase: Synthesis, characterization, in vitro evaluation and molecular docking studies. |
Bioorg Chem 60: 42-8 (2015) | Hazara University | 2D 3D TSV |
| 25953722 | 102 | Discovery, bioactivity and docking simulation of Vorinostat analogues containing 1,2,4-oxadiazole moiety as potent histone deacetylase inhibitors and antitumor agents. |
Bioorg Med Chem 23: 3457-71 (2015) | Southeast University | 2D 3D TSV |
| 25953512 | 74 | Discovery of (1R,2S)-2-{[(2,4-Dimethylpyrimidin-5-yl)oxy]methyl}-2-(3-fluorophenyl)-N-(5-fluoropyridin-2-yl)cyclopropanecarboxamide (E2006): A Potent and Efficacious Oral Orexin Receptor Antagonist. |
J Med Chem 58: 4648-64 (2015) | Eisai Co., Ltd | 2D 3D TSV |
| 25953155 | 16 | Design and synthesis of close analogs of LCRF-0004, a potent and selective RON receptor tyrosine kinase inhibitor. |
Bioorg Med Chem Lett 25: 2527-31 (2015) | ChemRF Laboratories | 2D 3D TSV |
| 25951978 | 38 | Syntheses, cholinesterases inhibition, and molecular docking studies of pyrido[2,3-b]pyrazine derivatives. |
Chem Biol Drug Des 86: 1115-20 (2015) | University of Karachi | 2D 3D TSV |
| 25951434 | 4 | Search for factors affecting antibacterial activity and toxicity of 1,2,4-triazole-ciprofloxacin hybrids. |
Eur J Med Chem 97: 94-103 (2015) | Medical University | 2D 3D TSV |
| 25950914 | 84 | Discovery of a high affinity and selective pyridine analog as a potential positron emission tomography imaging agent for cannabinoid type 2 receptor. |
J Med Chem 58: 4266-77 (2015) | Institute of Pharmaceutical Sciences | 2D 3D TSV |
| 25941559 | 1 | Switch in Site of Inhibition: A Strategy for Structure-Based Discovery of Human Topoisomerase IIa Catalytic Inhibitors. |
ACS Med Chem Lett 6: 481-5 (2015) | Department of Pharmaceutical Technology (Biotechnology), Department of Pharmacoinformatics, and Department of Medicinal Chemistry, National Institute of Pharmaceutical Education and Research (NIPER) | 2D 3D TSV |
| 25941557 | 4 | Tying up Nicotine: New Selective Competitive Antagonist of the Neuronal Nicotinic Acetylcholine Receptors. |
ACS Med Chem Lett 6: 472-5 (2015) | University of Copenhagen | 2D 3D TSV |
| 25941555 | 75 | Discovery of benzimidazole oxazolidinediones as novel and selective nonsteroidal mineralocorticoid receptor antagonists. |
ACS Med Chem Lett 6: 461-5 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25941551 | 4 | Rho kinase inhibitors: potentially versatile therapy for the treatment of cardiovascular diseases and more. |
ACS Med Chem Lett 6: 371-2 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25941547 | 12 | Discovery of imidazopyridine derivatives as highly potent respiratory syncytial virus fusion inhibitors. |
ACS Med Chem Lett 6: 359-62 (2015) | Roche Innovation Center Shanghai | 2D 3D TSV |
| 25941546 | 9 | 4,6-Diarylaminothiazines as BACE1 Inhibitors and Their Use for the Reduction of Beta-Amyloid Production. |
ACS Med Chem Lett 6: 237-8 (2015) | Temple University School of Pharmacy | 2D 3D TSV |
| 25941545 | 21 | Biphenyl-ethyl-pyrrolidine derivatives as histamine h3 receptor modulators for the treatment of cognitive disorders. |
ACS Med Chem Lett 6: 235-6 (2015) | Temple University School of Pharmacy | 2D 3D TSV |
| 25941042 | 28 | Design, synthesis, and biological evaluation of scutellarein carbamate derivatives as potential multifunctional agents for the treatment of Alzheimer's disease. |
Chem Biol Drug Des 86: 1168-77 (2015) | Sichuan University | 2D 3D TSV |
| 25938987 | 49 | Is RK-682 a promiscuous enzyme inhibitor? Synthesis and in vitro evaluation of protein tyrosine phosphatase inhibition of racemic RK-682 and analogues. |
Eur J Med Chem 97: 42-54 (2015) | University of Campinas | 2D 3D TSV |
| 25938986 | 1 | Design, synthesis and antibacterial activity of cinnamaldehyde derivatives as inhibitors of the bacterial cell division protein FtsZ. |
Eur J Med Chem 97: 32-41 (2015) | Shandong University | 2D 3D TSV |
| 25938459 | 1 | Amorfrutins Are Natural PPAR¿ Agonists with Potent Anti-inflammatory Properties. |
J Nat Prod 78: 1160-4 (2015) | Max Planck Institute for Molecular Genetics | 2D 3D TSV |
| 25937878 | 9 | The chemistry and pharmacology of privileged pyrroloquinazolines. |
Medchemcomm 6: 510-520 (2015) | Oregon Health & Science University | 2D 3D TSV |
| 25937016 | 29 | a-Substituted 2-(3-fluoro-4-methylsulfonamidophenyl)acetamides as potent TRPV1 antagonists. |
Bioorg Med Chem Lett 25: 2326-30 (2015) | Seoul National University | 2D 3D TSV |
| 25937015 | 16 | Cyclopropyl-containing positive allosteric modulators of metabotropic glutamate receptor subtype 5. |
Bioorg Med Chem Lett 25: 2275-9 (2015) | University of Maryland | 2D 3D TSV |
| 25937013 | 40 | Rapid development of two factor IXa inhibitors from hit to lead. |
Bioorg Med Chem Lett 25: 2321-5 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25937010 | 9 | Non-electrophilic modulators of the canonical Keap1/Nrf2 pathway. |
Bioorg Med Chem Lett 25: 2261-8 (2015) | University of Illinois at Chicago | 2D 3D TSV |
| 25936260 | 8 | Synthesis, biological activities and pharmacokinetic properties of new fluorinated derivatives of selective PDE4D inhibitors. |
Bioorg Med Chem 23: 3426-35 (2015) | University of Genoa | 2D 3D TSV |
| 25936259 | 55 | Novel spirohydantoin derivative as a potent multireceptor-active antipsychotic and antidepressant agent. |
Bioorg Med Chem 23: 3436-47 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
| 25935644 | 21 | Pancreatic lipase inhibitory constituents from Morus alba leaves and optimization for extraction conditions. |
Bioorg Med Chem Lett 25: 2269-74 (2015) | Chungbuk National University | 2D 3D TSV |
| 25935643 | 5 | N-Oxide derivatives of 3-(3-pyridyl)-2-phosphonopropanoic acids as potential inhibitors of Rab geranylgeranylation. |
Bioorg Med Chem Lett 25: 2331-4 (2015) | University of Iowa | 2D 3D TSV |
| 25935642 | 17 | Discovery of novel N-aryl piperazine CXCR4 antagonists. |
Bioorg Med Chem Lett 25: 4950-5 (2015) | Emory Institute for Drug Development | 2D 3D TSV |
| 25935641 | 88 | Structure-activity relationships of the prototypical TRPM8 agonist icilin. |
Bioorg Med Chem Lett 25: 2285-90 (2015) | National Research Council | 2D 3D TSV |
| 25935384 | 26 | New quinolone- and 1,8-naphthyridine-3-carboxamides as selective CB2 receptor agonists with anticancer and immuno-modulatory activity. |
Eur J Med Chem 97: 10-8 (2015) | University of Pisa | 2D 3D TSV |
| 25935383 | 13 | Discovery of piperidin-4-yl-aminopyrimidine derivatives as potent non-nucleoside HIV-1 reverse transcriptase inhibitors. |
Eur J Med Chem 97: 1-9 (2015) | Fudan University | 2D 3D TSV |
| 25934229 | 21 | Synthesis and evaluation of selegiline derivatives as monoamine oxidase inhibitor, antioxidant and metal chelator against Alzheimer's disease. |
Bioorg Med Chem 23: 3722-9 (2015) | Sun Yat-sen University | 2D 3D TSV |
| 25934227 | 12 | Fragmentation of GW4064 led to a highly potent partial farnesoid X receptor agonist with improved drug-like properties. |
Bioorg Med Chem 23: 3490-8 (2015) | Goethe-University Frankfurt | 2D 3D TSV |
| 25934226 | 24 | Synthesis and molecular docking of 1,2,3-triazole-based sulfonamides as aromatase inhibitors. |
Bioorg Med Chem 23: 3472-80 (2015) | Srinakharinwirot University | 2D 3D TSV |
| 25933594 | 6 | Boronic acid-containing CXCR1/2 antagonists: Optimization of metabolic stability, in vivo evaluation, and a proposed receptor binding model. |
Bioorg Med Chem Lett 25: 2280-4 (2015) | Syntrix Biosystems | 2D 3D TSV |
| 25928210 | 3 | Biochemical and structural analysis of an Eis family aminoglycoside acetyltransferase from bacillus anthracis. |
Biochemistry 54: 3197-206 (2015) | University of Kentucky | 2D 3D TSV |
| 25927664 | 3 | Flavonoids from Matteuccia struthiopteris and Their Anti-influenza Virus (H1N1) Activity. |
J Nat Prod 78: 987-95 (2015) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 25927480 | 36 | Voltage-Gated Sodium Channels: Structure, Function, Pharmacology, and Clinical Indications. |
J Med Chem 58: 7093-118 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25923950 | 23 | Studies on the ATP Binding Site of Fyn Kinase for the Identification of New Inhibitors and Their Evaluation as Potential Agents against Tauopathies and Tumors. |
J Med Chem 58: 4590-609 (2015) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 25923815 | 11 | Design of highly potent urea-based, exosite-binding inhibitors selective for glutamate carboxypeptidase II. |
J Med Chem 58: 4357-63 (2015) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 25922884 | 5 | Top-down Targeted Metabolomics Reveals a Sulfur-Containing Metabolite with Inhibitory Activity against Angiotensin-Converting Enzyme in Asparagus officinalis. |
J Nat Prod 78: 1179-83 (2015) | RIKEN Center for Sustainable Resource Science | 2D 3D TSV |
| 25922182 | 80 | Synthesis and evaluation of quinazoline amino acid derivatives as mono amine oxidase (MAO) inhibitors. |
Bioorg Med Chem 23: 3574-85 (2015) | Alexandria University | 2D 3D TSV |
| 25922180 | 2 | Development and validation of a novel assay to identify radiosensitizers that target nucleophosmin 1. |
Bioorg Med Chem 23: 3681-6 (2015) | University of Arkansas for Medical Sciences | 2D 3D TSV |
| 25922179 | 10 | Design, synthesis and evaluation of novel 2-butyl-4-chloroimidazole derived peptidomimetics as Angiotensin Converting Enzyme (ACE) inhibitors. |
Bioorg Med Chem 23: 3526-33 (2015) | CSIR-Indian Institute of Chemical Technology | 2D 3D TSV |
| 25921269 | 45 | Discovery of potent carbonic anhydrase and acetylcholine esterase inhibitors: novel sulfamoylcarbamates and sulfamides derived from acetophenones. |
Bioorg Med Chem 23: 3592-602 (2015) | AgriIbrahim£e£en University | 2D 3D TSV |
| 25921268 | 36 | New matrix metalloproteinase inhibitors based on¿-fluorinateda-aminocarboxylic anda-aminohydroxamic acids. |
Bioorg Med Chem 23: 3809-18 (2015) | Westf£lische Wilhelms-Universit£t M£nster | 2D 3D TSV |
| 25921266 | 48 | New pyrazolo[4,3-e][1,2,4]triazine sulfonamides as carbonic anhydrase inhibitors. |
Bioorg Med Chem 23: 3674-80 (2015) | Siedlce University of Natural Sciences and Humanities | 2D 3D TSV |
| 25921265 | 21 | Novel type of plasmin inhibitors: providing insight into P4 moiety and alternative scaffold to pyrrolopyrimidine. |
Bioorg Med Chem 23: 3696-704 (2015) | Hiroshima International University | 2D 3D TSV |
| 25921264 | 21 | Perspective: Tyrosine phosphatases as novel targets for antiplatelet therapy. |
Bioorg Med Chem 23: 2786-97 (2015) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
| 25920005 | 11 | Synthesis, thymidine phosphorylase inhibition and molecular modeling studies of 1,3,4-oxadiazole-2-thione derivatives. |
Bioorg Chem 60: 37-41 (2015) | COMSATS Institute of Information Technology | 2D 3D TSV |
| 25916324 | 13 | Synthesis and biological evaluation of kojic acid derivatives containing 1,2,4-triazole as potent tyrosinase inhibitors. |
Chem Biol Drug Des 86: 1087-92 (2015) | Hunan University of Science and Technology | 2D 3D TSV |
| 25915781 | 9 | First Crystal Structures of Mycobacterium tuberculosis 6-Oxopurine Phosphoribosyltransferase: Complexes with GMP and Pyrophosphate and with Acyclic Nucleoside Phosphonates Whose Prodrugs Have Antituberculosis Activity. |
J Med Chem 58: 4822-38 (2015) | The University of Queensland | 2D 3D TSV |
| 25915520 | 8 | Exploring the Role of Residue 228 in Substrate and Inhibitor Recognition by VIM Metallo-ß-lactamases. |
Biochemistry 54: 3183-96 (2015) | Louis Stokes Cleveland Veterans Affairs Medical Center | 2D 3D TSV |
| 25915162 | 12 | New Frontiers in Selective Human MAO-B Inhibitors. |
J Med Chem 58: 6717-32 (2015) | Sapienza University of Rome | 2D 3D TSV |
| 25915084 | 4 | Chemical Biology of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors. |
J Med Chem 58: 6733-46 (2015) | Genentech | 2D 3D TSV |
| 25914804 | 20 | Discovery of novel 5-fluoro-N(2),N(4)-diphenylpyrimidine-2,4-diamines as potent inhibitors against CDK2 and CDK9. |
Medchemcomm 6: 444-454 (2015) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
| 25913865 | 4 | Synthesis and antibacterial activities of cadiolides A, B and C and analogues. |
Bioorg Med Chem 23: 3618-28 (2015) | Normandie Univ | 2D 3D TSV |
| 25913198 | 2 | Stereoselective synthesis of 11-phenylundeca-5Z,9Z-dienoic acid and investigation of its human topoisomerase I and IIa inhibitory activity. |
Bioorg Med Chem Lett 25: 2405-8 (2015) | Russian Academy of Science | 2D 3D TSV |
| 25913118 | 95 | Synthesis of Schiff base derivatives of 4-(2-aminoethyl)-benzenesulfonamide with inhibitory activity against carbonic anhydrase isoforms I, II, IX and XII. |
Bioorg Med Chem Lett 25: 2377-81 (2015) | Harran University | 2D 3D TSV |
| 25912674 | 52 | Synthesis, carbonic anhydrase inhibition and cytotoxic activity of novel chromone-based sulfonamide derivatives. |
Eur J Med Chem 96: 425-35 (2015) | Cairo University | 2D 3D TSV |
| 25912673 | 48 | Binding cooperativity between a ligand carbonyl group and a hydrophobic side chain can be enhanced by additional H-bonds in a distance dependent manner: A case study with thrombin inhibitors. |
Eur J Med Chem 96: 405-24 (2015) | The State University of New York | 2D 3D TSV |
| 25911625 | 1 | Synthesis and antitumor activities evaluation of m-(4-morpholinoquinazolin-2-yl)benzamides in vitro and in vivo. |
Eur J Med Chem 96: 382-95 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
| 25911624 | 121 | Design, synthesis and structure-activity relationship of oxazolidinone derivatives containing novel S4 ligand as FXa inhibitors. |
Eur J Med Chem 96: 369-80 (2015) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 25911301 | 1 | Current kinase inhibitors cover a tiny fraction of fragment space. |
Bioorg Med Chem Lett 25: 2372-6 (2015) | University of Zurich | 2D 3D TSV |
| 25911300 | 58 | Structure activity relationship of substituted 1,5-naphthyridine analogs of oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents (Part-4). |
Bioorg Med Chem Lett 25: 2409-15 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25910584 | 2 | 1-Benzyl-4-phenyl-1H-1,2,3-triazoles improve the transcriptional functions of estrogen-related receptor¿ and promote the browning of white adipose. |
Bioorg Med Chem 23: 3751-60 (2015) | Guangzhou Institutes of Biomedicine and Health | 2D 3D TSV |
| 25909279 | 5 | Discovery of potent indenoisoquinoline topoisomerase I poisons lacking the 3-nitro toxicophore. |
J Med Chem 58: 3997-4015 (2015) | Purdue University | 2D 3D TSV |
| 25908517 | 14 | Discovery of novel indirubin-3'-monoxime derivatives as potent inhibitors against CDK2 and CDK9. |
Bioorg Med Chem Lett 25: 2447-51 (2015) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
| 25908516 | 10 | Design, synthesis and biological evaluation of deuterated Tivozanib for improving pharmacokinetic properties. |
Bioorg Med Chem Lett 25: 2425-8 (2015) | Sichuan University | 2D 3D TSV |
| 25907370 | 11 | Anti-HIV diarylpyrimidine-quinolone hybrids and their mode of action. |
Bioorg Med Chem 23: 3860-8 (2015) | Fudan University | 2D 3D TSV |
| 25907369 | 17 | Selaginellin and biflavonoids as protein tyrosine phosphatase 1B inhibitors from Selaginella tamariscina and their glucose uptake stimulatory effects. |
Bioorg Med Chem 23: 3730-7 (2015) | Catholic University of Daegu | 2D 3D TSV |
| 25907367 | 6 | Light-switched inhibitors of protein tyrosine phosphatase PTP1B based on phosphonocarbonyl phenylalanine as photoactive phosphotyrosine mimetic. |
Bioorg Med Chem 23: 2839-47 (2015) | Freie Universit£t Berlin | 2D 3D TSV |
| 25907364 | 29 | A potent and selective inhibitor for the UBLCP1 proteasome phosphatase. |
Bioorg Med Chem 23: 2798-809 (2015) | Indiana University | 2D 3D TSV |
| 25906200 | 6 | A Developability-Focused Optimization Approach Allows Identification of in Vivo Fast-Acting Antimalarials: N-[3-[(Benzimidazol-2-yl)amino]propyl]amides. |
J Med Chem 58: 4573-80 (2015) | University of Helsinki | 2D 3D TSV |
| 25906087 | 14 | Design, synthesis, and antitumor evaluation of novel histone deacetylase inhibitors equipped with a phenylsulfonylfuroxan module as a nitric oxide donor. |
J Med Chem 58: 4325-38 (2015) | Shandong University | 2D 3D TSV |
| 25905694 | 24 | Novel histone deacetylase inhibitors induce growth arrest, apoptosis, and differentiation in sarcoma cancer stem cells. |
J Med Chem 58: 4073-9 (2015) | Istituto Ortopedico Rizzoli (IOR) | 2D 3D TSV |
| 25905598 | 59 | Rational design of dual peptides targeting ghrelin and Y2 receptors to regulate food intake and body weight. |
J Med Chem 58: 4180-93 (2015) | Universit£t Leipzig | 2D 3D TSV |
| 25905468 | 3 | 9-Hydroxycanthin-6-one, aß-Carboline Alkaloid from Eurycoma longifolia, Is the First Wnt Signal Inhibitor through Activation of Glycogen Synthase Kinase 3ß without Depending on Casein Kinase 1a. |
J Nat Prod 78: 1139-46 (2015) | Chiba University | 2D 3D TSV |
| 25901762 | 33 | Discovery, synthesis, and molecular pharmacology of selective positive allosteric modulators of thed-opioid receptor. |
J Med Chem 58: 4220-9 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25901531 | 211 | Structure-activity relationship in a purine-scaffold compound series with selectivity for the endoplasmic reticulum Hsp90 paralog Grp94. |
J Med Chem 58: 3922-43 (2015) | Sloan-Kettering Institute for Cancer Research | 2D 3D TSV |
| 25900219 | 54 | Benzo-fused lactams from a diversity-oriented synthesis (DOS) library as inhibitors of scavenger receptor BI (SR-BI)-mediated lipid uptake. |
Bioorg Med Chem Lett 25: 2100-5 (2015) | Marquette University | 2D 3D TSV |
| 25899678 | 1 | Discovery of novel tricyclic pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine derivatives as VEGFR-2 inhibitors. |
Bioorg Chem 60: 1-12 (2015) | Suez Canal University | 2D 3D TSV |
| 25899338 | 37 | Design and structure activity relationship of tumor-homing histone deacetylase inhibitors conjugated to folic and pteroic acids. |
Eur J Med Chem 96: 340-59 (2015) | Georgia Institute of Technology | 2D 3D TSV |
| 25899336 | 11 | New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode. |
Eur J Med Chem 96: 318-29 (2015) | Universitat de Barcelona | 2D 3D TSV |
| 25899335 | 1 | Synthesis and identification of unprecedented selective inhibitors of CK1e. |
Eur J Med Chem 96: 308-17 (2015) | Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (IUBO-AG) | 2D 3D TSV |
| 25899312 | 6 | Design, synthesis and biological evaluation of pyridazino[3,4,5-de]quinazolin-3(2H)-one as a new class of PARP-1 inhibitors. |
Bioorg Med Chem Lett 25: 2340-4 (2015) | Peking University | 2D 3D TSV |
| 25898270 | 88 | Discovery of aß-Hairpin Octapeptide, c[Pro-Arg-Phe-Phe-Dap-Ala-Phe-DPro], Mimetic of Agouti-Related Protein(87-132) [AGRP(87-132)] with Equipotent Mouse Melanocortin-4 Receptor (mMC4R) Antagonist Pharmacology. |
J Med Chem 58: 4638-47 (2015) | University of Minnesota | 2D 3D TSV |
| 25898137 | 61 | C7ß-methyl analogues of the orvinols: the discovery of kappa opioid antagonists with nociceptin/orphanin FQ peptide (NOP) receptor partial agonism and low, or zero, efficacy at mu opioid receptors. |
J Med Chem 58: 4242-9 (2015) | University of Bath | 2D 3D TSV |
| 25898023 | 67 | Design, synthesis, and biological evaluation of novel, highly active soft ROCK inhibitors. |
J Med Chem 58: 4309-24 (2015) | Agoralaan Abis | 2D 3D TSV |
| 25897973 | 29 | Discovery of a Novel Series of N-Phenylindoline-5-sulfonamide Derivatives as Potent, Selective, and Orally Bioavailable Acyl CoA:Monoacylglycerol Acyltransferase-2 Inhibitors. |
J Med Chem 58: 3892-909 (2015) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25897704 | 11 | Highly Selective Phosphatidylinositol 4-Kinase IIIß Inhibitors and Structural Insight into Their Mode of Action. |
J Med Chem 58: 3767-93 (2015) | Gilead Sciences Inc | 2D 3D TSV |
| 25895106 | 11 | Isolation and Characterization of Dammarane-Type Saponins from Gynostemma pentaphyllum and Their Inhibitory Effects on IL-6-Induced STAT3 Activation. |
J Nat Prod 78: 971-6 (2015) | Chungbuk National University | 2D 3D TSV |
| 25894999 | 3 | Inhibition of Human Prolyl Oligopeptidase Activity by the Cyclotide Psysol 2 Isolated from Psychotria solitudinum. |
J Nat Prod 78: 1073-82 (2015) | Medical University of Vienna | 2D 3D TSV |
| 25894011 | 6 | Re(I) and Tc(I) complexes for targeting nitric oxide synthase: influence of the chelator in the affinity for the enzyme. |
Chem Biol Drug Des 86: 1072-86 (2015) | Universidade de Lisboa | 2D 3D TSV |
| 25893049 | 12 | Azolylthioacetamide: A Highly Promising Scaffold for the Development of Metallo-ß-lactamase Inhibitors. |
ACS Med Chem Lett 6: 455-60 (2015) | North-West University | 2D 3D TSV |
| 25893048 | 25 | Novel benzamide-based histamine h3 receptor antagonists: the identification of two candidates for clinical development. |
ACS Med Chem Lett 6: 450-4 (2015) | Janssen Pharmaceutical Companies of Johnson & Johnson L.L.C. | 2D 3D TSV |
| 25893046 | 77 | Discovery of a Potent and Orally Bioavailable Dual Antagonist of CC Chemokine Receptors 2 and 5. |
ACS Med Chem Lett 6: 439-44 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25893045 | 44 | Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors. |
ACS Med Chem Lett 6: 434-8 (2015) | PKUCare Pharmaceutical R & D Center | 2D 3D TSV |
| 25893043 | 36 | Discovery of a Selective TRPM8 Antagonist with Clinical Efficacy in Cold-Related Pain. |
ACS Med Chem Lett 6: 419-24 (2015) | Pfizer Inc | 2D 3D TSV |
| 25893042 | 65 | Pyridopyrimidinone Derivatives as Potent and Selective c-Jun N-Terminal Kinase (JNK) Inhibitors. |
ACS Med Chem Lett 6: 413-8 (2015) | Translational Research Institute | 2D 3D TSV |
| 25893041 | 12 | Discovery of a Dual PRMT5-PRMT7 Inhibitor. |
ACS Med Chem Lett 6: 408-12 (2015) | University of Toronto | 2D 3D TSV |
| 25893037 | 3 | Peptidic inhibitors for in vitro pentamer formation of human papillomavirus capsid protein l1. |
ACS Med Chem Lett 6: 381-5 (2015) | Jilin University | 2D 3D TSV |
| 25891106 | 4 | Design, synthesis and biological evaluation of di-substituted noscapine analogs as potent and microtubule-targeted anticancer agents. |
Bioorg Med Chem Lett 25: 2133-40 (2015) | Georgia State University | 2D 3D TSV |
| 25891102 | 14 | PTP1B inhibitors from stems of Angelica keiskei (Ashitaba). |
Bioorg Med Chem Lett 25: 2028-32 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25890801 | 26 | Discovery of heterocyclic sulfonamides as sphingosine 1-phosphate receptor 1 (S1P1) antagonists. |
Bioorg Med Chem Lett 25: 2041-5 (2015) | AstraZeneca | 2D 3D TSV |
| 25890698 | 135 | Exploring the isoform selectivity of TGX-221 related pyrido[1,2-a]pyrimidinone-based Class IA PI 3-kinase inhibitors: synthesis, biological evaluation and molecular modelling. |
Bioorg Med Chem 23: 3796-808 (2015) | University of Auckland | 2D 3D TSV |
| 25890697 | 6 | Thiazolidine-2,4-dione derivatives: programmed chemical weapons for key protein targets of various pathological conditions. |
Bioorg Med Chem 23: 2953-74 (2015) | Punjabi University | 2D 3D TSV |
| 25884115 | 2 | A FRET-based assay for screening SIRT6 modulators. |
Eur J Med Chem 96: 245-9 (2015) | Guiyang Medical University | 2D 3D TSV |
| 25882531 | 8 | Discovery of DS-5272 as a promising candidate: A potent and orally active p53-MDM2 interaction inhibitor. |
Bioorg Med Chem 23: 2360-7 (2015) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 25882530 | 6 | Synthesis and evaluation of novel amide amino-ß-lactam derivatives as cholesterol absorption inhibitors. |
Bioorg Med Chem 23: 2353-9 (2015) | Ruder Boskovic Institute | 2D 3D TSV |
| 25882527 | 34 | Identification of apoptosis signal-regulating kinase 1 (ASK1) inhibitors among the derivatives of benzothiazol-2-yl-3-hydroxy-5-phenyl-1,5-dihydro-pyrrol-2-one. |
Bioorg Med Chem 23: 2489-97 (2015) | NAS of Ukraine | 2D 3D TSV |
| 25882526 | 496 | Structure activity relationship of selective GABA uptake inhibitors. |
Bioorg Med Chem 23: 2480-8 (2015) | University of Copenhagen | 2D 3D TSV |
| 25882525 | 26 | Novel pyrrole carboxamide inhibitors of JAK2 as potential treatment of myeloproliferative disorders. |
Bioorg Med Chem 23: 2387-407 (2015) | Nerviano Medical Sciences srl | 2D 3D TSV |
| 25882523 | 120 | Theß-carbonic anhydrase from the malaria mosquito Anopheles gambiae is highly inhibited by sulfonamides. |
Bioorg Med Chem 23: 2303-9 (2015) | University of Tampere and Tampere University Hospital | 2D 3D TSV |
| 25882522 | 29 | Non-peptide ligand binding to the formyl peptide receptor FPR2--A comparison to peptide ligand binding modes. |
Bioorg Med Chem 23: 4072-81 (2015) | University of Warsaw | 2D 3D TSV |
| 25882521 | 121 | Discovery of potent and selective urea-based ROCK inhibitors: Exploring the inhibitor's potency and ROCK2/PKA selectivity by 3D-QSAR, molecular docking and molecular dynamics simulations. |
Bioorg Med Chem 23: 2505-17 (2015) | Shanghai Institute of Technology | 2D 3D TSV |
| 25882520 | 64 | Structure-based discovery of small molecule hepsin and HGFA protease inhibitors: Evaluation of potency and selectivity derived from distinct binding pockets. |
Bioorg Med Chem 23: 2328-43 (2015) | Washington University | 2D 3D TSV |
| 25882519 | 45 | The design, synthesis and biological evaluation of conformationally restricted 4-substituted-2,6-dimethylfuro[2,3-d]pyrimidines as multi-targeted receptor tyrosine kinase and microtubule inhibitors as potential antitumor agents. |
Bioorg Med Chem 23: 2408-23 (2015) | Duquesne University | 2D 3D TSV |
| 25881832 | 16 | The amide linker in nonpeptide neurotensin receptor ligands plays a key role in calcium signaling at the neurotensin receptor type 2. |
Bioorg Med Chem Lett 25: 2060-4 (2015) | RTI International | 2D 3D TSV |
| 25881829 | 7 | Synthetic derivatives of the SUMO consensus sequence provide a basis for improved substrate recognition. |
Bioorg Med Chem Lett 25: 2146-51 (2015) | National Cancer Institute-Frederick | 2D 3D TSV |
| 25881822 | 4 | Synthesis and biological evaluation of novel pyrazoline derivatives as potent anti-inflammatory agents. |
Bioorg Med Chem Lett 25: 2429-33 (2015) | Sichuan University | 2D 3D TSV |
| 25881820 | 62 | Design and synthesis of potent, selective phenylimidazole-based FVIIa inhibitors. |
Bioorg Med Chem Lett 25: 2169-73 (2015) | Bristol-Myers Squibb R & D | 2D 3D TSV |
| 25879485 | 60 | Identification of GDC-0810 (ARN-810), an Orally Bioavailable Selective Estrogen Receptor Degrader (SERD) that Demonstrates Robust Activity in Tamoxifen-Resistant Breast Cancer Xenografts. |
J Med Chem 58: 4888-904 (2015) | Seragon Pharmaceuticals | 2D 3D TSV |
| 25875209 | 60 | 6-Substituted sulfocoumarins are selective carbonic anhdydrase IX and XII inhibitors with significant cytotoxicity against colorectal cancer cells. |
J Med Chem 58: 3975-83 (2015) | Latvian Institute of Organic Synthesis | 2D 3D TSV |
| 25874340 | 37 | Novel imidazole derivatives as heme oxygenase-1 (HO-1) and heme oxygenase-2 (HO-2) inhibitors and their cytotoxic activity in human-derived cancer cell lines. |
Eur J Med Chem 96: 162-72 (2015) | University of Catania | 2D 3D TSV |
| 25874338 | 90 | Identification of 4-(4-nitro-2-phenethoxyphenyl)pyridine as a promising new lead for discovering inhibitors of both human and rat 11ß-Hydroxylase. |
Eur J Med Chem 96: 139-50 (2015) | Saarland University | 2D 3D TSV |
| 25874337 | 23 | Design, synthesis and structural exploration of novel fluorinated dabigatran derivatives as direct thrombin inhibitors. |
Eur J Med Chem 96: 122-38 (2015) | Shanghai Institute of Technology | 2D 3D TSV |
| 25874336 | 16 | Exploring the 7-oxo-thiazolo[5,4-d]pyrimidine core for the design of new human adenosine A3 receptor antagonists. Synthesis, molecular modeling studies and pharmacological evaluation. |
Eur J Med Chem 96: 105-21 (2015) | Universita' di Firenze | 2D 3D TSV |
| 25874327 | 25 | Exploring the chemical space of ureidothiophene-2-carboxylic acids as inhibitors of the quorum sensing enzyme PqsD from Pseudomonas aeruginosa. |
Eur J Med Chem 96: 14-21 (2015) | Saarland University & Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
| 25874326 | 60 | Discovery and preliminary evaluation of 2-aminobenzamide and hydroxamate derivatives containing 1,2,4-oxadiazole moiety as potent histone deacetylase inhibitors. |
Eur J Med Chem 96: 1-13 (2015) | Southeast University | 2D 3D TSV |
| 25872983 | 57 | Design and synthesis of novel 1,2-dithiolan-4-yl benzoate derivatives as PTP1B inhibitors. |
Bioorg Med Chem Lett 25: 2211-6 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25872982 | 57 | Application of cultured human mast cells (CHMC) for the design and structure-activity relationship of IgE-mediated mast cell activation inhibitors. |
Bioorg Med Chem Lett 25: 2117-21 (2015) | Amarit Bioscience, Inc. | 2D 3D TSV |
| 25872980 | 21 | TR-FRET binding assay targeting unactivated form of Bruton's tyrosine kinase. |
Bioorg Med Chem Lett 25: 2033-6 (2015) | Carna Biosciences, Inc | 2D 3D TSV |
| 25871734 | 13 | Lazaroids U83836E and U74389G are potent, time-dependent inhibitors of caspase-1. |
Chem Biol Drug Des 86: 1049-54 (2015) | DePaul University | 2D 3D TSV |
| 25871261 | 4 | Polycyclic Polyprenylated Acylphloroglucinol Congeners Possessing Diverse Structures from Hypericum henryi. |
J Nat Prod 78: 885-95 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25870132 | 37 | Discovery and hit-to-lead optimization of 2,6-diaminopyrimidine inhibitors of interleukin-1 receptor-associated kinase 4. |
Bioorg Med Chem Lett 25: 1836-41 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25868749 | 9 | Molecular modeling of the human P2Y14 receptor: A template for structure-based design of selective agonist ligands. |
Bioorg Med Chem 23: 4056-64 (2015) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 25868746 | 27 | Discovery of novel spiro 1,3,4-thiadiazolines as potent, orally bioavailable and brain penetrant KSP inhibitors. |
Bioorg Med Chem 23: 2424-34 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25868745 | 16 | Novel thiazolo[3,2-b]-1,2,4-triazoles derived from naproxen with analgesic/anti-inflammatory properties: Synthesis, biological evaluation and molecular modeling studies. |
Bioorg Med Chem 23: 2518-28 (2015) | Hacettepe University | 2D 3D TSV |
| 25868744 | 51 | Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors withß-amyloid anti-aggregation properties and beneficial effects on memory in vivo. |
Bioorg Med Chem 23: 2445-57 (2015) | Jagiellonian University | 2D 3D TSV |
| 25868743 | 1 | Design, synthesis and biological evaluation of new hybrid anticonvulsants derived from N-benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide and 2-(2,5-dioxopyrrolidin-1-yl)butanamide derivatives. |
Bioorg Med Chem 23: 2548-61 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
| 25866242 | 55 | 2-(Isopropylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as selective phosphodiesterase 7 inhibitors with potent in vivo efficacy. |
Bioorg Med Chem Lett 25: 1910-4 (2015) | Kaken Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25866241 | 88 | Fingerprint-based consensus virtual screening towards structurally new 5-HT(6)R ligands. |
Bioorg Med Chem Lett 25: 1827-30 (2015) | Jagiellonian University | 2D 3D TSV |
| 25866240 | 56 | Design, synthesis, biological evaluation and molecular modeling of dihydropyrazole sulfonamide derivatives as potential COX-1/COX-2 inhibitors. |
Bioorg Med Chem Lett 25: 1947-51 (2015) | The First Affiliated Hospital of Nanjing Medical University | 2D 3D TSV |
| 25865133 | 66 | Diarylsulfonamides and their bioisosteres as dual inhibitors of alkaline phosphatase and carbonic anhydrase: Structure activity relationship and molecular modelling studies. |
Bioorg Med Chem 23: 2435-44 (2015) | Forman Christian College (A Chartered University) | 2D 3D TSV |
| 25865131 | 40 | Synthesis and biological evaluation of open-chain analogs of cyclic peptides as inhibitors of cellular Shp2 activity. |
Bioorg Med Chem 23: 2562-7 (2015) | Hebei University of Science & Technology | 2D 3D TSV |
| 25865130 | 20 | Exploration of benzamidochromenone derivatives with conformational restrictor as interleukin-5 inhibitors. |
Bioorg Med Chem 23: 2498-504 (2015) | Chungnam National University | 2D 3D TSV |
| 25864869 | 10 | Direct Staudinger-Phosphonite Reaction Provides Methylphosphonamidates as Inhibitors of CE4 De-N-acetylases. |
Chembiochem 16: 1350-6 (2015) | University of Toronto | 2D 3D TSV |
| 25864491 | 2 | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. |
Angew Chem Int Ed Engl 54: 6217-21 (2015) | University of Oxford | 2D 3D TSV |
| 25863492 | 44 | N-Acylsulfonamides strongly inhibit human carbonic anhydrase isoenzymes I and II. |
Bioorg Med Chem 23: 2598-605 (2015) | Atat£rk University | 2D 3D TSV |
| 25862210 | 9 | Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening. |
Bioorg Med Chem 23: 2310-7 (2015) | Astellas Pharma Inc | 2D 3D TSV |
| 25862209 | 31 | Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs). Part I. |
Bioorg Med Chem 23: 2568-78 (2015) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25862200 | 4 | Structure-activity relationship studies of the lipophilic tail region of sphingosine kinase 2 inhibitors. |
Bioorg Med Chem Lett 25: 4956-60 (2015) | Virginia Tech | 2D 3D TSV |
| 25862198 | 52 | Elimination of a cholecystokinin receptor agonist 'trigger' in an effort to develop positive allosteric modulators without intrinsic agonist activity. |
Bioorg Med Chem Lett 25: 1849-55 (2015) | Mayo Clinic | 2D 3D TSV |
| 25857942 | 30 | The synthesis and evaluation of sesamol and benzodioxane derivatives as inhibitors of monoamine oxidase. |
Bioorg Med Chem Lett 25: 1896-900 (2015) | North-West University | 2D 3D TSV |
| 25857941 | 42 | BMS-871: a novel orally active pan-Notch inhibitor as an anticancer agent. |
Bioorg Med Chem Lett 25: 1905-9 (2015) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 25856547 | 7 | Activation of the¿-Aminobutyric Acid Type B (GABA(B)) Receptor by Agonists and Positive Allosteric Modulators. |
J Med Chem 58: 6336-47 (2015) | Purdue University | 2D 3D TSV |
| 25856009 | 5 | Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. |
J Med Chem 59: 1425-39 (2016) | GlaxoSmithKline R&D | 2D 3D TSV |
| 25855895 | 23 | HM30181 Derivatives as Novel Potent and Selective Inhibitors of the Breast Cancer Resistance Protein (BCRP/ABCG2). |
J Med Chem 58: 3910-21 (2015) | University of Bonn | 2D 3D TSV |
| 25855505 | 12 | Synthesis of 5,6-dihydro-4H-benzo[d]isoxazol-7-one and 5,6-dihydro-4H-isoxazolo[5,4-c]pyridin-7-one derivatives as potential Hsp90 inhibitors. |
Chem Biol Drug Des 86: 1030-5 (2015) | University of Milano | 2D 3D TSV |
| 25851938 | 27 | Tricyclic 1,5-naphthyridinone oxabicyclooctane-linked novel bacterial topoisomerase inhibitors as broad-spectrum antibacterial agents-SAR of left-hand-side moiety (Part-2). |
Bioorg Med Chem Lett 25: 1831-5 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25850459 | 46 | Benzo[d]imidazole Transient Receptor Potential Vanilloid 1 Antagonists for the Treatment of Pain: Discovery of trans-2-(2-{2-[2-(4-Trifluoromethyl-phenyl)-vinyl]-1H-benzimidazol-5-yl}-phenyl)-propan-2-ol (Mavatrep). |
J Med Chem 58: 3859-74 (2015) | TBA | 2D 3D TSV |
| 25849762 | 163 | Structure-Based Design of Potent and Selective Inhibitors of the Metabolic Kinase PFKFB3. |
J Med Chem 58: 3611-25 (2015) | AstraZeneca | 2D 3D TSV |
| 25847771 | 121 | Towards small molecule inhibitors of mono-ADP-ribosyltransferases. |
Eur J Med Chem 95: 546-51 (2015) | Karolinska Institutet | 2D 3D TSV |
| 25847770 | 4 | Structure-activity relationship and properties optimization of a series of quinazoline-2,4-diones as inhibitors of the canonical Wnt pathway. |
Eur J Med Chem 95: 526-45 (2015) | Siena Biotech SpA | 2D 3D TSV |
| 25846066 | 88 | Synthesis of a new series of dithiocarbamates with effective human carbonic anhydrase inhibitory activity and antiglaucoma action. |
Bioorg Med Chem 23: 2368-76 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25845281 | 26 | Discovery of new acylaminopyridines as GSK-3 inhibitors by a structure guided in-depth exploration of chemical space around a pyrrolopyridinone core. |
Bioorg Med Chem Lett 25: 1856-63 (2015) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 25844917 | 2 | Inactivation of Mandelate Racemase by 3-Hydroxypyruvate Reveals a Potential Mechanistic Link between Enzyme Superfamilies. |
Biochemistry 54: 2747-57 (2015) | Dalhousie University | 2D 3D TSV |
| 25844895 | 61 | Discovery of tricyclic indoles that potently inhibit Mcl-1 using fragment-based methods and structure-based design. |
J Med Chem 58: 3794-805 (2015) | Vanderbilt University School of Medicine | 2D 3D TSV |
| 25844760 | 52 | Tetrahydroindazoles as Interleukin-2 Inducible T-Cell Kinase Inhibitors. Part II. Second-Generation Analogues with Enhanced Potency, Selectivity, and Pharmacodynamic Modulation in Vivo. |
J Med Chem 58: 3806-16 (2015) | Genentech Inc | 2D 3D TSV |
| 25842365 | 21 | Design, synthesis and biological evaluation of tasiamide B derivatives as BACE1 inhibitors. |
Bioorg Med Chem 23: 1963-74 (2015) | Fudan University | 2D 3D TSV |
| 25841198 | 4 | Discovery of N-benzoxazol-5-yl-pyrazole-4-carboxamides as nanomolar SQR inhibitors. |
Eur J Med Chem 95: 424-34 (2015) | Central China Normal University | 2D 3D TSV |
| 25840886 | 25 | Discovery of 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide analogs as new RORC modulators. |
Bioorg Med Chem Lett 25: 1892-5 (2015) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 25840796 | 23 | Identification of novel class of falcipain-2 inhibitors as potential antimalarial agents. |
Bioorg Med Chem 23: 2221-40 (2015) | University of Toronto | 2D 3D TSV |
| 25839438 | 19 | Identification of anthranilamide derivatives as potential factor Xa inhibitors: drug design, synthesis and biological evaluation. |
Eur J Med Chem 95: 388-99 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25839426 | 36 | Short Hydrophobic Peptides with Cyclic Constraints Are Potent Glucagon-like Peptide-1 Receptor (GLP-1R) Agonists. |
J Med Chem 58: 4080-5 (2015) | University of Queensland | 2D 3D TSV |
| 25838147 | 75 | Substituted pyrrolidin-2-ones: Centrally acting orexin receptor antagonists promoting sleep. Part 2. |
Bioorg Med Chem Lett 25: 1884-91 (2015) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
| 25838146 | 5 | Synthesis and potent inhibitory activities of carboxybenzyl-substituted 8-(3-(R)-aminopiperidin-1-yl)-7-(2-chloro/cyanobenzyl)-3-methyl-3,7-dihydro-purine-2,6-diones as dipeptidyl peptidase IV (DPP-IV) inhibitors. |
Bioorg Med Chem Lett 25: 1872-5 (2015) | Southern Medical University | 2D 3D TSV |
| 25838144 | 50 | Synthesis and biological evaluation of novel HIV-1 protease inhibitors using tertiary amine as P2-ligands. |
Bioorg Med Chem Lett 25: 1880-3 (2015) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
| 25838141 | 8 | Xanthones from the roots of Maclura cochinchinensis var. gerontogea and their retinoic acid receptor-a agonistic activity. |
Bioorg Med Chem Lett 25: 1998-2001 (2015) | Aichi Gakuin University | 2D 3D TSV |
| 25835537 | 5 | Steroidal Alkaloids from Veratrum nigrum Enhance Glucose Uptake in Skeletal Muscle Cells. |
J Nat Prod 78: 803-10 (2015) | Chungnam National University | 2D 3D TSV |
| 25835357 | 22 | Novel arylazopyrazole inhibitors of cyclin-dependent kinases. |
Bioorg Med Chem 23: 1975-81 (2015) | Palack� University | 2D 3D TSV |
| 25835317 | 63 | Design, Synthesis, and Structure-Activity Relationship Studies of 3-(Phenylethynyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Derivatives as a New Class of Src Inhibitors with Potent Activities in Models of Triple Negative Breast Cancer. |
J Med Chem 58: 3957-74 (2015) | Sichuan University | 2D 3D TSV |
| 25832441 | 1 | Allotides: Proline-Rich Cystine Knota-Amylase Inhibitors from Allamanda cathartica. |
J Nat Prod 78: 695-704 (2015) | Nanyang Technological University | 2D 3D TSV |
| 25828863 | 172 | Discovery, Synthesis, and Biological Evaluation of Thiazoloquin(az)olin(on)es as Potent CD38 Inhibitors. |
J Med Chem 58: 3548-71 (2015) | GlaxoSmithKline | 2D 3D TSV |
| 25828827 | 34 | Design, synthesis and biological evaluation of novel pyrazoline-containing derivatives as potential tubulin assembling inhibitors. |
Eur J Med Chem 94: 447-57 (2015) | Nanjing University | 2D 3D TSV |
| 25827526 | 33 | Histone H3 peptide based LSD1-selective inhibitors. |
Bioorg Med Chem Lett 25: 1925-8 (2015) | Waseda University | 2D 3D TSV |
| 25827523 | 275 | Isosteric replacements of the carboxylic acid of drug candidate VX-787: Effect of charge on antiviral potency and kinase activity of azaindole-based influenza PB2 inhibitors. |
Bioorg Med Chem Lett 25: 1990-4 (2015) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 25827402 | 54 | 3,4-Diaza-bicyclo[4.1.0]hept-4-en-2-one phenoxypropylamine analogs of irdabisant (CEP-26401) as potent histamine-3 receptor inverse agonists with robust wake-promoting activity. |
Eur J Med Chem 95: 349-56 (2015) | Teva Global R & D. | 2D 3D TSV |
| 25827399 | 52 | Enhancing the cellular anti-proliferation activity of pyridazinones as c-met inhibitors using docking analysis. |
Eur J Med Chem 95: 302-12 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25827398 | 47 | Structure-activity relationship studies of SEN12333 analogues: determination of the optimal requirements for binding affinities ata7 nAChRs through incorporation of known structural motifs. |
Eur J Med Chem 95: 277-301 (2015) | The University of Sydney | 2D 3D TSV |
| 25826710 | 21 | Identifying Medication Targets for Psychostimulant Addiction: Unraveling the Dopamine D3 Receptor Hypothesis. |
J Med Chem 58: 5361-80 (2015) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
| 25822739 | 37 | Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents. |
J Med Chem 58: 3393-410 (2015) | KU Leuven | 2D 3D TSV |
| 25822623 | 2 | DUPA conjugation of a cytotoxic indenoisoquinoline topoisomerase I inhibitor for selective prostate cancer cell targeting. |
J Med Chem 58: 3094-103 (2015) | Purdue University | 2D 3D TSV |
| 25819333 | 11 | Synthesis and biological evaluation of novel tyrosyl-DNA phosphodiesterase 1 inhibitors with a benzopentathiepine moiety. |
Bioorg Med Chem 23: 2044-52 (2015) | Siberian Branch of the Russian Academy of Sciences | 2D 3D TSV |
| 25819098 | 13 | Canthinone alkaloids are novel protein tyrosine phosphatase 1B inhibitors. |
Bioorg Med Chem Lett 25: 1979-81 (2015) | Toho University | 2D 3D TSV |
| 25819096 | 16 | Five new phorbol esters with cytotoxic and selective anti-inflammatory activities from Croton tiglium. |
Bioorg Med Chem Lett 25: 1986-9 (2015) | Hunan University of Chinese Medicine | 2D 3D TSV |
| 25818766 | 45 | Design, synthesis and preliminary bioactivity studies of 2-thioxo-4-thiazolidinone derivatives as Bcl-2 inhibitors. |
Bioorg Med Chem 23: 1994-2003 (2015) | Shandong University | 2D 3D TSV |
| 25818765 | 4 | The CERT antagonist HPA-12: first practical synthesis and individual binding evaluation of the four stereoisomers. |
Bioorg Med Chem 23: 2004-9 (2015) | Universit£ Paul Sabatier-Toulouse III | 2D 3D TSV |
| 25818461 | 8 | A FRET-based assay for screening SIRT5 specific modulators. |
Bioorg Med Chem Lett 25: 1671-4 (2015) | Guiyang Medical University | 2D 3D TSV |
| 25817770 | 27 | Synthesis of diethyl 4-substituted-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylates as a new series of inhibitors against yeasta-glucosidase. |
Eur J Med Chem 95: 199-209 (2015) | University of Karachi | 2D 3D TSV |
| 25817240 | 33 | Design, synthesis and biological evaluation of N-phenylthieno[2,3-d]pyrimidin-4-amines as inhibitors of FGFR1. |
Bioorg Med Chem 23: 2287-93 (2015) | Institute of Molecular Biology and Genetics NAS of Ukraine | 2D 3D TSV |
| 25815158 | 6 | Farnesyl diphosphate synthase inhibitors with unique ligand-binding geometries. |
ACS Med Chem Lett 6: 349-54 (2015) | University of Illinois at Urbana-Champaign | 2D 3D TSV |
| 25815157 | 10 | Exploiting the Polypharmacology of ß-Carbolines to Disrupt O. volvulus Molting. |
ACS Med Chem Lett 6: 339-43 (2015) | The Scripps Research Institute | 2D 3D TSV |
| 25815156 | 5 | Positron emission tomography to elucidate pharmacokinetic differences of regioisomeric retinoid x receptor agonists. |
ACS Med Chem Lett 6: 334-8 (2015) | Okayama University Graduate School of Medicine | 2D 3D TSV |
| 25815155 | 21 | Design, Synthesis, and Evaluation of Tetrasubstituted Pyridines as Potent 5-HT2C Receptor Agonists. |
ACS Med Chem Lett 6: 329-33 (2015) | University of Cambridge | 2D 3D TSV |
| 25815154 | 13 | Synthesis of New DPP-4 Inhibitors Based on a Novel Tricyclic Scaffold. |
ACS Med Chem Lett 6: 324-8 (2015) | University Park Nottingham | 2D 3D TSV |
| 25815153 | 47 | Synthesis and Evaluation of Heterocyclic Catechol Mimics as Inhibitors of Catechol-O-methyltransferase (COMT). |
ACS Med Chem Lett 6: 318-23 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25815151 | 43 | Synthesis and Evaluation of Quinazolines as Inhibitors of the Bacterial Cell Division Protein FtsZ. |
ACS Med Chem Lett 6: 308-12 (2015) | University of California Davis | 2D 3D TSV |
| 25815150 | 4 | Discovery of potent hexapeptide agonists to human neuromedin u receptor 1 and identification of their serum metabolites. |
ACS Med Chem Lett 6: 302-7 (2015) | Tokyo University of Pharmacy and Life Sciences | 2D 3D TSV |
| 25815149 | 24 | Design and Synthesis of Acetylenyl Benzamide Derivatives as Novel Glucokinase Activators for the Treatment of T2DM. |
ACS Med Chem Lett 6: 296-301 (2015) | Yuhan Research Institute | 2D 3D TSV |
| 25815148 | 10 | a-Carbonic Anhydrases Possess Thioesterase Activity. |
ACS Med Chem Lett 6: 292-5 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25815146 | 29 | Pyrido[4,3-e][1,2,4]triazolo[4,3-a]pyrazines as Selective, Brain Penetrant Phosphodiesterase 2 (PDE2) Inhibitors. |
ACS Med Chem Lett 6: 282-6 (2015) | Janssen Pharmaceutica NV | 2D 3D TSV |
| 25815144 | 17 | Discovery of DS-1558: A Potent and Orally Bioavailable GPR40 Agonist. |
ACS Med Chem Lett 6: 266-70 (2015) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 25815140 | 33 | Identification of 8-aminoadenosine derivatives as a new class of human concentrative nucleoside transporter 2 inhibitors. |
ACS Med Chem Lett 6: 244-8 (2015) | Kissei Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25815139 | 18 | Discovery of Novel Multiacting Topoisomerase I/II and Histone Deacetylase Inhibitors. |
ACS Med Chem Lett 6: 239-43 (2015) | Fujian University of Traditional Chinese Medicine | 2D 3D TSV |
| 25815138 | 58 | Minor Structural Change to Tertiary Sulfonamide RORc Ligands Led to Opposite Mechanisms of Action. |
ACS Med Chem Lett 6: 276-81 (2015) | Genentech | 2D 3D TSV |
| 25813897 | 12 | a-Adrenoceptor antagonistic and hypotensive properties of novel arylpiperazine derivatives of pyrrolidin-2-one. |
Bioorg Med Chem 23: 2104-11 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
| 25813159 | 3 | New septanoside and 20-hydroxyecdysone septanoside derivative from Atriplex portulacoides roots with preliminary biological activities. |
Bioorg Med Chem Lett 25: 1665-70 (2015) | University of Monastir | 2D 3D TSV |
| 25813158 | 29 | Small cyclic agonists of iron regulatory hormone hepcidin. |
Bioorg Med Chem Lett 25: 4961-9 (2015) | University of California Los Angeles | 2D 3D TSV |
| 25812967 | 6 | Synthesis and biological evaluation of 2,4-diaminopyrimidines as selective Aurora A kinase inhibitors. |
Eur J Med Chem 95: 174-84 (2015) | Lanzhou University | 2D 3D TSV |
| 25812966 | 11 | Design and synthesis of celastrol derivatives as anticancer agents. |
Eur J Med Chem 95: 166-73 (2015) | Anhui Medical University | 2D 3D TSV |
| 25812965 | 80 | Multi-target tacrine-coumarin hybrids: cholinesterase and monoamine oxidase B inhibition properties against Alzheimer's disease. |
Eur J Med Chem 95: 153-65 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25811913 | 8 | Mechanistic studies of inactivation of inducible nitric oxide synthase by amidines. |
Biochemistry 54: 2530-8 (2015) | Northwestern University | 2D 3D TSV |
| 25811792 | 32 | Discovery of Orally Available Runt-Related Transcription Factor 3 (RUNX3) Modulators for Anticancer Chemotherapy by Epigenetic Activation and Protein Stabilization. |
J Med Chem 58: 3512-21 (2015) | Yonsei University | 2D 3D TSV |
| 25811530 | 20 | Rational design of triazololipopeptides analogs of kisspeptin inducing a long-lasting increase of gonadotropins. |
J Med Chem 58: 3459-70 (2015) | UMR7247; Universit£ Fran£ois Rabelais Tours; IFCE) | 2D 3D TSV |
| 25811317 | 26 | Synthesis and biological evaluation of nitrated 7-, 8-, 9-, and 10-hydroxyindenoisoquinolines as potential dual topoisomerase I (Top1)-tyrosyl-DNA phosphodiesterase I (TDP1) inhibitors. |
J Med Chem 58: 3188-208 (2015) | Purdue University | 2D 3D TSV |
| 25808573 | 3 | Neristatin 1 provides critical insight into bryostatin 1 structure-function relationships. |
J Nat Prod 78: 896-900 (2015) | National Cancer Institute-Bethesda | 2D 3D TSV |
| 25805446 | 30 | Design, synthesis and biological evaluation of colchicine derivatives as novel tubulin and histone deacetylase dual inhibitors. |
Eur J Med Chem 95: 127-35 (2015) | East China Normal University | 2D 3D TSV |
| 25803425 | 7 | Discovery of Potent Inhibitors of Schistosoma mansoni NAD¿ Catabolizing Enzyme. |
J Med Chem 58: 3582-92 (2015) | University of Strasburg | 2D 3D TSV |
| 25801932 | 55 | Synthesis and structure-activity relationships of a series of 4-methoxy-3-(piperidin-4-yl)oxy benzamides as novel inhibitors of the presynaptic choline transporter. |
Bioorg Med Chem Lett 25: 1757-60 (2015) | Vanderbilt University Medical Center | 2D 3D TSV |
| 25801931 | 24 | Pseudosaccharin amines as potent and selective KV1.5 blockers. |
Bioorg Med Chem Lett 25: 4983-6 (2015) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 25801159 | 36 | Discovery of novel pyrazolopyrimidinone analogs as potent inhibitors of phosphodiesterase type-5. |
Bioorg Med Chem 23: 2121-8 (2015) | CSIR-Indian Institute of Integrative Medicine | 2D 3D TSV |
| 25801156 | 26 | Acyl-2-aminobenzimidazoles: a novel class of neuroprotective agents targeting mGluR5. |
Bioorg Med Chem 23: 2211-20 (2015) | University of Maryland | 2D 3D TSV |
| 25801151 | 50 | Design and synthesis of novel quinoline-aminopiperidine hybrid analogues as Mycobacterium tuberculosis DNA gyraseB inhibitors. |
Bioorg Med Chem 23: 2062-78 (2015) | Birla Institute of Technology | 2D 3D TSV |
| 25801150 | 1 | Cell-based biological evaluations of 5-(3-bromo-4-phenethoxybenzylidene)thiazolidine-2,4-dione as promising wound healing agent. |
Bioorg Med Chem 23: 2098-103 (2015) | Chosun University | 2D 3D TSV |
| 25800647 | 28 | Discovery of 4-(dihydropyridinon-3-yl)amino-5-methylthieno[2,3-d]pyrimidine derivatives as potent Mnk inhibitors: synthesis, structure-activity relationship analysis and biological evaluation. |
Eur J Med Chem 95: 116-26 (2015) | University of South Australia | 2D 3D TSV |
| 25800646 | 40 | Macrocyclic compounds as anti-cancer agents: design and synthesis of multi-acting inhibitors against HDAC, FLT3 and JAK2. |
Eur J Med Chem 95: 104-15 (2015) | Central South University | 2D 3D TSV |
| 25800431 | 30 | Discovery of a potent, orally available dual CysLT1 and CysLT2 antagonist with dicarboxylic acid. |
Bioorg Med Chem 23: 2079-97 (2015) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25800132 | 6 | Flavonoids: true or promiscuous inhibitors of enzyme? The case of deoxyxylulose phosphate reductoisomerase. |
Bioorg Chem 59: 140-4 (2015) | University of Strasburg | 2D 3D TSV |
| 25800116 | 62 | Synthesis and optimization of picolinamide derivatives as a novel class of 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors. |
Bioorg Med Chem Lett 25: 1679-83 (2015) | Seoul National University | 2D 3D TSV |
| 25800115 | 62 | Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinyl amides as potent and long acting muscarinic antagonists. |
Bioorg Med Chem Lett 25: 1736-41 (2015) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 25800114 | 20 | Three-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors. |
Bioorg Med Chem Lett 25: 1705-8 (2015) | Sumitomo Dainippon Pharma Co., Ltd | 2D 3D TSV |
| 25799376 | 2 | Structure-based hybridization, synthesis and biological evaluation of novel tetracyclic heterocyclic azathioxanthone analogues as potential antitumor agents. |
Eur J Med Chem 103: 615-27 (2015) | Taipei Medical University | 2D 3D TSV |
| 25799264 | 94 | Design and Synthesis of Newa-Naphthoflavones as Cytochrome P450 (CYP) 1B1 Inhibitors To Overcome Docetaxel-Resistance Associated with CYP1B1 Overexpression. |
J Med Chem 58: 3534-47 (2015) | Shanghai Jiao Tong University | 2D 3D TSV |
| 25799158 | 6 | Volume of Distribution in Drug Design. |
J Med Chem 58: 5691-8 (2015) | Pharmacokinetics | 2D 3D TSV |
| 25799074 | 65 | Discovery and Characterization of GSK2801, a Selective Chemical Probe for the Bromodomains BAZ2A and BAZ2B. |
J Med Chem 59: 1410-24 (2016) | GlaxoSmithKline | 2D 3D TSV |
| 25797804 | 18 | An efficient synthesis of SK-658 and its analogs as potent histone deacetylase inhibitors. |
Bioorg Chem 59: 145-50 (2015) | Kyushu Institute of Technology | 2D 3D TSV |
| 25797163 | 34 | Structure-activity relationships of substituted 1H-indole-2-carboxamides as CB1 receptor allosteric modulators. |
Bioorg Med Chem 23: 2195-203 (2015) | Research Triangle Institute | 2D 3D TSV |
| 25797160 | 23 | A combination of in silico and SAR studies to identify binding hot spots of Bcl-xL inhibitors. |
Bioorg Med Chem 23: 1747-57 (2015) | Bioprojet-Biotech | 2D 3D TSV |
| 25794791 | 13 | Recent advances in the chemistry and biology of pyridopyrimidines. |
Eur J Med Chem 95: 76-95 (2015) | Universit£ d'Orl£ans | 2D 3D TSV |
| 25793650 | 47 | Novel multitarget-directed ligands (MTDLs) with acetylcholinesterase (AChE) inhibitory and serotonergic subtype 4 receptor (5-HT4R) agonist activities as potential agents against Alzheimer's disease: the design of donecopride. |
J Med Chem 58: 3172-87 (2015) | CERMN | 2D 3D TSV |
| 25791677 | 15 | Discovery of orally active anticancer candidate CFI-400945 derived from biologically promising spirooxindoles: success and challenges. |
Eur J Med Chem 95: 35-40 (2015) | Zhengzhou University | 2D 3D TSV |
| 25791676 | 26 | Optimisation of LRRK2 inhibitors and assessment of functional efficacy in cell-based models of neuroinflammation. |
Eur J Med Chem 95: 29-34 (2015) | University of Sydney | 2D 3D TSV |
| 25791674 | 14 | Advances in the discovery of novel antimicrobials targeting the assembly of bacterial cell division protein FtsZ. |
Eur J Med Chem 95: 1-15 (2015) | Shandong University | 2D 3D TSV |
| 25791451 | 126 | Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: Lead optimization. |
Bioorg Med Chem Lett 25: 1724-9 (2015) | Gedeon Richter Plc | 2D 3D TSV |
| 25790336 | 93 | Investigation of (E)-3-[4-(2-Oxo-3-aryl-chromen-4-yl)oxyphenyl]acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators. |
J Med Chem 58: 3522-33 (2015) | AstraZeneca | 2D 3D TSV |
| 25790278 | 13 | Ensemble-based virtual screening for cannabinoid-like potentiators of the human glycine receptora1 for the treatment of pain. |
J Med Chem 58: 2958-66 (2015) | University of Pittsburgh | 2D 3D TSV |
| 25787859 | 13 | Design, Synthesis and Biological Evaluation of Imidazo[1,2-a]pyridine Derivatives as Novel DPP-4 Inhibitors. |
Chem Biol Drug Des 86: 849-56 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25785605 | 6 | Design, synthesis, in vitro, and in vivo anticancer and antiangiogenic activity of novel 3-arylaminobenzofuran derivatives targeting the colchicine site on tubulin. |
J Med Chem 58: 3209-22 (2015) | Universit£ di Ferrara | 2D 3D TSV |
| 25783191 | 87 | Design, syntheses, and pharmacological characterization of 17-cyclopropylmethyl-3,14ß-dihydroxy-4,5a-epoxy-6a-(isoquinoline-3'-carboxamido)morphinan analogues as opioid receptor ligands. |
Bioorg Med Chem 23: 1701-15 (2015) | Virginia Commonwealth University | 2D 3D TSV |
| 25783190 | 4 | Synthesis of hydrolysis-resistant pyridoxal 5'-phosphate analogs and their biochemical and X-ray crystallographic characterization with the pyridoxal phosphatase chronophin. |
Bioorg Med Chem 23: 2819-27 (2015) | University of W£rzburg | 2D 3D TSV |
| 25782744 | 6 | Azachalcones: a new class of potent polyphenol oxidase inhibitors. |
Bioorg Med Chem Lett 25: 1753-6 (2015) | University of Technology Sydney | 2D 3D TSV |
| 25782742 | 76 | trans-(3S,4S)-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part I: prime site exploration using an amino linker. |
Bioorg Med Chem Lett 25: 1782-6 (2015) | Novartis Pharma AG | 2D 3D TSV |
| 25782055 | 9 | Discovery of a Cyclic Boronic Acidß-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases. |
J Med Chem 58: 3682-92 (2015) | Rempex Pharmaceuticals, Inc. | 2D 3D TSV |
| 25781377 | 10 | Synthesis and bioactivity ofß-substituted fosmidomycin analogues targeting 1-deoxy-D-xylulose-5-phosphate reductoisomerase. |
J Med Chem 58: 2988-3001 (2015) | Universiteit Gent | 2D 3D TSV |
| 25781223 | 96 | Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors. |
J Med Chem 58: 3223-52 (2015) | The Scripps Research Institute | 2D 3D TSV |
| 25780876 | 205 | Design, synthesis, and biological evaluation of novel 2-((2-(4-(substituted)phenylpiperazin-1-yl)ethyl)amino)-5'-N-ethylcarboxamidoadenosines as potent and selective agonists of the A2A adenosine receptor. |
J Med Chem 58: 3253-67 (2015) | Universit£ degli Studi di Ferrara | 2D 3D TSV |
| 25778995 | 63 | Design and synthesis of potent 1,2,4-trisubstituted imidazolinone derivatives with dual p38aMAPK and ERK1/2 inhibitory activity. |
Eur J Med Chem 94: 397-404 (2015) | Cairo University | 2D 3D TSV |
| 25778991 | 116 | Design, synthesis and evaluation of scutellarein-O-alkylamines as multifunctional agents for the treatment of Alzheimer's disease. |
Eur J Med Chem 94: 348-66 (2015) | Sichuan University | 2D 3D TSV |
| 25778769 | 51 | Structure-activity studies in the development of a hydrazone based inhibitor of adipose-triglyceride lipase (ATGL). |
Bioorg Med Chem 23: 2904-16 (2015) | Graz University of Technology | 2D 3D TSV |
| 25774991 | 23 | N-benzoyl-1,5-benzothiazepine and its S-oxide as vasopressin receptor ligands: insight into the active stereochemistry around the seven-membered ring. |
J Med Chem 58: 3268-73 (2015) | Teikyo University | 2D 3D TSV |
| 25773015 | 80 | Sulfonamide inhibition studies of the¿-carbonic anhydrase from the Antarctic cyanobacterium Nostoc commune. |
Bioorg Med Chem 23: 1728-34 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25773014 | 13 | Design, synthesis, and structure-activity relationships of 1-ethylpyrazole-3-carboxamide compounds as novel hypoxia-inducible factor (HIF)-1 inhibitors. |
Bioorg Med Chem 23: 1776-87 (2015) | Kyoto University | 2D 3D TSV |
| 25771484 | 5 | Identification of novel inhibitors of Aurora A with a 3-(pyrrolopyridin-2-yl)indazole scaffold. |
Bioorg Med Chem 23: 1858-68 (2015) | Zhejiang University | 2D 3D TSV |
| 25769518 | 4 | Development of a time-resolved fluorescence probe for evaluation of competitive binding to the cholecystokinin 2 receptor. |
Bioorg Med Chem 23: 1841-8 (2015) | University of Arizona | 2D 3D TSV |
| 25769517 | 2 | ?-sheet interfering molecules acting against ?-amyloid aggregation and fibrillogenesis. |
Bioorg Med Chem 23: 1671-83 (2015) | Sapienza University of Rome | 2D 3D TSV |
| 25769015 | 2 | Cystargolides, 20S Proteasome Inhibitors Isolated from Kitasatospora cystarginea. |
J Nat Prod 78: 822-6 (2015) | University of Prince Edward Island | 2D 3D TSV |
| 25768707 | 17 | General role of the amino and methylsulfamoyl groups in selective cyclooxygenase(COX)-1 inhibition by 1,4-diaryl-1,2,3-triazoles and validation of a predictive pharmacometric PLS model. |
Eur J Med Chem 94: 252-64 (2015) | Universit£ degli Studi di Bari"A. Moro" | 2D 3D TSV |
| 25768706 | 6 | A facile synthesis and microtubule-destabilizing properties of 4-(1H-benzo[d]imidazol-2-yl)-furazan-3-amines. |
Eur J Med Chem 94: 237-51 (2015) | Special Design and Construction Bureau SDCB"Technolog" | 2D 3D TSV |
| 25768705 | 4 | Synthesis, biological evaluation and molecular modeling studies of the PPARß/d antagonist CC618. |
Eur J Med Chem 94: 229-36 (2015) | University of Oslo | 2D 3D TSV |
| 25768704 | 4 | Discovery of HCV NS5B thumb site I inhibitors: core-refining from benzimidazole to indole scaffold. |
Eur J Med Chem 94: 218-28 (2015) | Shandong University | 2D 3D TSV |
| 25768702 | 86 | Blood-brain barrier permeable anticholinesterase aurones: synthesis, structure-activity relationship, and drug-like properties. |
Eur J Med Chem 94: 195-210 (2015) | Universiti Sains Malaysia | 2D 3D TSV |
| 25768701 | 53 | Truncated structures used in search for new lead compounds and in a retrospective analysis of thienopyrimidine-based EGFR inhibitors. |
Eur J Med Chem 94: 175-94 (2015) | Norwegian University of Science and Technology | 2D 3D TSV |
| 25768700 | 30 | Pure enantiomers of benzoylamino-tranylcypromine: LSD1 inhibition, gene modulation in human leukemia cells and effects on clonogenic potential of murine promyelocytic blasts. |
Eur J Med Chem 94: 163-74 (2015) | Sapienza University of Rome | 2D 3D TSV |
| 25768699 | 1 | Water-soluble isoindolo[2,1-a]quinoxalin-6-imines: in vitro antiproliferative activity and molecular mechanism(s) of action. |
Eur J Med Chem 94: 149-62 (2015) | Universit£ degli Studi di Palermo | 2D 3D TSV |
| 25766633 | 9 | Dual inhibition of allosteric mitogen-activated protein kinase (MEK) and phosphatidylinositol 3-kinase (PI3K) oncogenic targets with a bifunctional inhibitor. |
Bioorg Med Chem 23: 1386-94 (2015) | The University of Michigan Medical School | 2D 3D TSV |
| 25766632 | 31 | Synthesis and biological evaluation of spirocyclic antagonists of CCR2 (chemokine CC receptor subtype 2). |
Bioorg Med Chem 23: 4034-49 (2015) | Westf£lische Wilhelms-Universit£t M£nster | 2D 3D TSV |
| 25766630 | 100 | A class of sulfonamide carbonic anhydrase inhibitors with neuropathic pain modulating effects. |
Bioorg Med Chem 23: 1828-40 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25766629 | 30 | Development of 2-amino-5-phenylthiophene-3-carboxamide derivatives as novel inhibitors of Mycobacterium tuberculosis DNA GyrB domain. |
Bioorg Med Chem 23: 1402-12 (2015) | Birla Institute of Technology | 2D 3D TSV |
| 25765912 | 14 | Synthesis of a chondroitin sulfate disaccharide library and a GAG-binding protein interaction analysis. |
Bioorg Med Chem Lett 25: 1407-11 (2015) | Kagoshima University | 2D 3D TSV |
| 25765911 | 9 | Synthesis and biological evaluation of isoxazoline derivatives as potent M1 muscarinic acetylcholine receptor agonists. |
Bioorg Med Chem Lett 25: 1546-51 (2015) | Korea Institute of Science and Technology | 2D 3D TSV |
| 25765909 | 1 | Design, synthesis and antiproliferative activity evaluation of m-(4-morpholinyl-1,3,5-triazin-2-yl)benzamides in vitro. |
Bioorg Med Chem Lett 25: 1730-5 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
| 25765759 | 195 | Novel series of benzoquinones with high potency against 5-lipoxygenase in human polymorphonuclear leukocytes. |
Eur J Med Chem 94: 132-9 (2015) | University of Naples | 2D 3D TSV |
| 25765758 | 15 | Computer aided drug discovery of highly ligand efficient, low molecular weight imidazopyridine analogs as FLT3 inhibitors. |
Eur J Med Chem 94: 123-31 (2015) | The University of Arizona | 2D 3D TSV |
| 25764119 | 15 | Discovery of novel P1 groups for coagulation factor VIIa inhibition using fragment-based screening. |
J Med Chem 58: 2799-808 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25763473 | 108 | The Discovery of Orally Bioavailable Tyrosine Threonine Kinase (TTK) Inhibitors: 3-(4-(heterocyclyl)phenyl)-1H-indazole-5-carboxamides as Anticancer Agents. |
J Med Chem 58: 3366-92 (2015) | EntreMed Inc. | 2D 3D TSV |
| 25761096 | 17 | Niraparib: A Poly(ADP-ribose) Polymerase (PARP) Inhibitor for the Treatment of Tumors with Defective Homologous Recombination. |
J Med Chem 58: 3302-14 (2015) | Istituto di Ricerche di Biologia Molecolare | 2D 3D TSV |
| 25760146 | 49 | 3'-functionalized adamantyl cannabinoid receptor probes. |
J Med Chem 58: 3104-16 (2015) | University of Hawaii at Manoa | 2D 3D TSV |
| 25759032 | 55 | Synthesis and binding properties of new long-chain 4-substituted piperazine derivatives as 5-HT1A and 5-HT7 receptor ligands. |
Bioorg Med Chem Lett 25: 1427-30 (2015) | Universit£ di Catania | 2D 3D TSV |
| 25759031 | 21 | Design, synthesis and docking study of novel tetracyclic oxindole derivatives asa-glucosidase inhibitors. |
Bioorg Med Chem Lett 25: 1471-5 (2015) | Key Laboratory of Industrial Fermentation Microbiology (Tianjin University of Science and Technology) | 2D 3D TSV |
| 25757604 | 2 | (18)F-AmBF3-MJ9: a novel radiofluorinated bombesin derivative for prostate cancer imaging. |
Bioorg Med Chem 23: 1500-6 (2015) | BC Cancer Agency | 2D 3D TSV |
| 25757603 | 79 | New approaches to the synthesis of sildenafil analogues and their enzyme inhibitory activity. |
Bioorg Med Chem 23: 1421-9 (2015) | Siedlce University of Natural Sciences and Humanities | 2D 3D TSV |
| 25757092 | 2 | Luotonin-A based quinazolinones cause apoptosis and senescence via HDAC inhibition and activation of tumor suppressor proteins in HeLa cells. |
Eur J Med Chem 94: 87-101 (2015) | CSIR-Indian Institute of Chemical Technology | 2D 3D TSV |
| 25756620 | 4 | Bacillusin A, an Antibacterial Macrodiolide from Bacillus amyloliquefaciens AP183. |
J Nat Prod 78: 924-8 (2015) | Lucigen Corporation | 2D 3D TSV |
| 25754495 | 103 | The discovery of potent agonists for GPR88, an orphan GPCR, for the potential treatment of CNS disorders. |
Bioorg Med Chem Lett 25: 1443-7 (2015) | Lexicon Pharmaceuticals, Inc. | 2D 3D TSV |
| 25754491 | 11 | 8-(3-chloro-4-methoxybenzyl)-8H-pyrido[2,3-d]pyrimidin-7-one derivatives as potent and selective phosphodiesterase 5 inhibitors. |
Bioorg Med Chem Lett 25: 1431-5 (2015) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 25754490 | 44 | trans-3,4-Disubstituted pyrrolidines as inhibitors of the human aspartyl protease renin. Part II: prime site exploration using an oxygen linker. |
Bioorg Med Chem Lett 25: 1787-91 (2015) | Novartis Pharma AG | 2D 3D TSV |
| 25753329 | 56 | Synthesis of 6-aryl-substituted sulfocoumarins and investigation of their carbonic anhydrase inhibitory action. |
Bioorg Med Chem 23: 1430-6 (2015) | Latvian Institute of Organic Synthesis | 2D 3D TSV |
| 25752984 | 32 | Design and synthesis of a novel series of [1-(4-hydroxy-benzyl)-1H-indol-5-yloxy]-acetic acid compounds as potent, selective, thyroid hormone receptorß agonists. |
Bioorg Med Chem Lett 25: 1377-80 (2015) | Eli Lilly and Company | 2D 3D TSV |
| 25752983 | 6 | Syntheses of chondroitin sulfate tetrasaccharide structures containing 4,6-disulfate patterns and analysis of their interaction with glycosaminoglycan-binding protein. |
Bioorg Med Chem Lett 25: 1552-5 (2015) | Kagoshima University | 2D 3D TSV |
| 25752982 | 26 | Loratadine analogues as MAGL inhibitors. |
Bioorg Med Chem Lett 25: 1436-42 (2015) | University of Eastern Finland | 2D 3D TSV |
| 25752422 | 10 | Synthesis and evaluation of tetrahydroindazole derivatives as sigma-2 receptor ligands. |
Bioorg Med Chem 23: 1463-71 (2015) | Guangdong Medical College | 2D 3D TSV |
| 25751283 | 79 | Design and synthesis of norendoxifen analogues with dual aromatase inhibitory and estrogen receptor modulatory activities. |
J Med Chem 58: 2623-48 (2015) | Purdue University | 2D 3D TSV |
| 25750706 | 7 | Identification of 2,4-diamino-6,7-dimethoxyquinoline derivatives as G9a inhibitors?Electronic supplementary information (ESI) available. See DOI: 10.1039/c4md00274a. |
Medchemcomm 5: 1821-1828 (2014) | Imperial College London | 2D 3D TSV |
| 25746816 | 3 | Synthesis of 3-azabicyclo[3.2.2]nonanes and their antiprotozoal activities. |
Bioorg Med Chem Lett 25: 1390-3 (2015) | Karl-Franzens-University | 2D 3D TSV |
| 25746814 | 80 | Discovery of novel S1P2 antagonists. Part 1: discovery of 1,3-bis(aryloxy)benzene derivatives. |
Bioorg Med Chem Lett 25: 1479-82 (2015) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25746813 | 37 | SAH derived potent and selective EZH2 inhibitors. |
Bioorg Med Chem Lett 25: 1532-7 (2015) | Pfizer Inc | 2D 3D TSV |
| 25746740 | 23 | The adenosine receptor affinities and monoamine oxidase B inhibitory properties of sulfanylphthalimide analogues. |
Bioorg Chem 59: 117-23 (2015) | North-West University | 2D 3D TSV |
| 25746232 | 16 | Inhibitor recognition specificity of MERS-CoV papain-like protease may differ from that of SARS-CoV. |
ACS Chem Biol 10: 1456-65 (2015) | University of Illinois at Chicago | 2D 3D TSV |
| 25743215 | 1 | Recent advances of chroman-4-one derivatives: synthetic approaches and bioactivities. |
Eur J Med Chem 93: 539-63 (2015) | Mazandaran University of Medical Sciences | 2D 3D TSV |
| 25743214 | 12 | LEADOPT: an automatic tool for structure-based lead optimization, and its application in structural optimizations of VEGFR2 and SYK inhibitors. |
Eur J Med Chem 93: 523-38 (2015) | Sichuan University | 2D 3D TSV |
| 25743213 | 52 | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor. |
Eur J Med Chem 93: 501-10 (2015) | University of Otago | 2D 3D TSV |
| 25738882 | 210 | Discovery and optimization of novel antagonists to the human neurokinin-3 receptor for the treatment of sex-hormone disorders (Part I). |
J Med Chem 58: 3060-82 (2015) | Euroscreen SA | 2D 3D TSV |
| 25738750 | 84 | Discovery and optimization of a novel series of Dyrk1B kinase inhibitors to explore a MEK resistance hypothesis. |
J Med Chem 58: 2834-44 (2015) | AstraZeneca | 2D 3D TSV |
| 25737085 | 26 | Affinity and kinetics study of anthranilic acids as HCA2 receptor agonists. |
Bioorg Med Chem 23: 4013-25 (2015) | Leiden University | 2D 3D TSV |
| 25736998 | 37 | Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors. |
Bioorg Med Chem Lett 25: 1597-602 (2015) | Merck Serono | 2D 3D TSV |
| 25736996 | 1 | Novelß-amyloid aggregation inhibitors possessing a turn mimic. |
Bioorg Med Chem Lett 25: 1572-6 (2015) | Kobe Pharmaceutical University | 2D 3D TSV |
| 25736993 | 65 | Design, synthesis and preliminary biological evaluation of C-8 substituted guanine derivatives as small molecular inhibitors of FGFRs. |
Bioorg Med Chem Lett 25: 1556-60 (2015) | Health Science Center Xi'an Jiaotong University | 2D 3D TSV |
| 25735208 | 12 | Stereoselective synthesis, biological evaluation, and modeling of novel bile acid-derived G-protein coupled bile acid receptor 1 (GP-BAR1, TGR5) agonists. |
Bioorg Med Chem 23: 1613-28 (2015) | The Beckman Research Institute | 2D 3D TSV |
| 25734936 | 13 | Perturbation of the c-Myc-Max protein-protein interaction via synthetic ?-helix mimetics. |
J Med Chem 58: 3002-24 (2015) | University of Maryland | 2D 3D TSV |
| 25734520 | 104 | Design and synthesis of orally bioavailable aminopyrrolidinone histone deacetylase 6 inhibitors. |
J Med Chem 58: 2809-20 (2015) | Roche Innovation Center Shanghai | 2D 3D TSV |
| 25734377 | 11 | Peroxisome Proliferator-Activated Receptor¿ (PPAR¿) and Ligand Choreography: Newcomers Take the Stage. |
J Med Chem 58: 5381-94 (2015) | Universitat Rovira i Virgili (URV) | 2D 3D TSV |
| 25734236 | 83 | Molecular determinants of biased agonism at the dopamine D2 receptor. |
J Med Chem 58: 2703-17 (2015) | Friedrich-Alexander University | 2D 3D TSV |
| 25732770 | 12 | Synthesis, biological investigation and molecular docking study of N-malonyl-1,2-dihydroisoquinoline derivatives as brain specific and shelf-stable MAO inhibitors. |
Eur J Med Chem 93: 481-91 (2015) | Assiut University | 2D 3D TSV |
| 25730262 | 195 | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acids are selective inhibitors of DYRK1A. |
J Med Chem 58: 3131-43 (2015) | Technische Universit£t Braunschweig | 2D 3D TSV |
| 25730130 | 20 | A novel cell-permeable, selective, and noncompetitive inhibitor of KAT3 histone acetyltransferases from a combined molecular pruning/classical isosterism approach. |
J Med Chem 58: 2779-98 (2015) | Universit£ degli Studi di Salerno | 2D 3D TSV |
| 25728416 | 25 | Iminopyrimidinones: a novel pharmacophore for the development of orally active renin inhibitors. |
Bioorg Med Chem Lett 25: 1592-6 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25728130 | 79 | Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties. |
Bioorg Med Chem Lett 25: 1635-42 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25728028 | 2 | Identification of fused 16ß,17ß-oxazinone-estradiol derivatives as a new family of non-estrogenic 17ß-hydroxysteroid dehydrogenase type 1 inhibitors. |
Eur J Med Chem 93: 470-80 (2015) | Universit£ Laval | 2D 3D TSV |
| 25728026 | 34 | (3Z)-3-(2-[4-(aryl)-1,3-thiazol-2-yl]hydrazin-1-ylidene)-2,3-dihydro-1H-indol-2-one derivatives as dual inhibitors of HIV-1 reverse transcriptase. |
Eur J Med Chem 93: 452-60 (2015) | University of Cagliari | 2D 3D TSV |
| 25728019 | 16 | Design, synthesis, and evaluation of NO-donor containing carbonic anhydrase inhibitors to lower intraocular pressure. |
J Med Chem 58: 2821-33 (2015) | Pfizer Inc | 2D 3D TSV |
| 25726329 | 3 | Effect of the tyrosinase inhibitor (S)-N-trans-feruloyloctopamine from garlic skin on tyrosinase gene expression and melanine accumulation in melanoma cells. |
Bioorg Med Chem Lett 25: 1476-8 (2015) | Gansu College of Traditional Chinese Medicine | 2D 3D TSV |
| 25725609 | 18 | Structure-activity study for (bis)ureidopropyl- and (bis)thioureidopropyldiamine LSD1 inhibitors with 3-5-3 and 3-6-3 carbon backbone architectures. |
Bioorg Med Chem 23: 1601-12 (2015) | John Hopkins University | 2D 3D TSV |
| 25725607 | 15 | 2-Benzisothiazolylimino-5-benzylidene-4-thiazolidinones as protective agents against cartilage destruction. |
Bioorg Med Chem 23: 1551-6 (2015) | University of Catania | 2D 3D TSV |
| 25725375 | 22 | Ether analogues of DPA-714 with subnanomolar affinity for the translocator protein (TSPO). |
Eur J Med Chem 93: 392-400 (2015) | Stanford University School of Medicine | 2D 3D TSV |
| 25724825 | 27 | Design, synthesis and evaluation of novel 5,6,7-trimethoxyflavone-6-chlorotacrine hybrids as potential multifunctional agents for the treatment of Alzheimer's disease. |
Bioorg Med Chem Lett 25: 1541-5 (2015) | Wenzhou Medical University | 2D 3D TSV |
| 25723005 | 111 | The discovery of Polo-like kinase 4 inhibitors: identification of (1R,2S).2-(3-((E).4-(((cis).2,6-dimethylmorpholino)methyl)styryl). 1H.indazol-6-yl)-5'-methoxyspiro[cyclopropane-1,3'-indolin]-2'-one (CFI-400945) as a potent, orally active antitumor agent. |
J Med Chem 58: 147-69 (2015) | TBA | 2D 3D TSV |
| 25721024 | 4 | In silico studies, synthesis and binding evaluation of substituted 2-pyrrolidinones as peptidomimetics of RGD tripeptide sequence. |
Eur J Med Chem 93: 360-72 (2015) | Universit£ Paris Descartes | 2D 3D TSV |
| 25719566 | 2 | Structure enabled design of BAZ2-ICR, a chemical probe targeting the bromodomains of BAZ2A and BAZ2B. |
J Med Chem 58: 2553-9 (2015) | Cancer Research UK Cancer Therapeutics Unit | 2D 3D TSV |
| 25716905 | 38 | Discovery of hydroxyaniline amides as selective Extracellular Regulated Kinase (Erk) inhibitors. |
Bioorg Med Chem Lett 25: 1627-9 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25716005 | 9 | Triazole-containing N-acyl homoserine lactones targeting the quorum sensing system in Pseudomonas aeruginosa. |
Bioorg Med Chem 23: 1638-50 (2015) | Technical University of Denmark | 2D 3D TSV |
| 25711603 | 12 | A photorhabdus natural product inhibits insect juvenile hormone epoxide hydrolase. |
Chembiochem 16: 766-71 (2015) | Goethe Universität Frankfurt | 2D 3D TSV |
| 25711516 | 118 | Novel pyridyl substituted 4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolines as potent and selective aldosterone synthase inhibitors with improved in vitro metabolic stability. |
J Med Chem 58: 2530-7 (2015) | Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
| 25711384 | 19 | Synthesis and Evaluation of 3-(furo[2,3-b]pyridin-3-yl)-4-(1H-indol-3-yl)-maleimides as Novel GSK-3ß Inhibitors and Anti-Ischemic Agents. |
Chem Biol Drug Des 86: 746-52 (2015) | Zhejiang University of Technology | 2D 3D TSV |
| 25710631 | 24 | Discovery of Intestinal Targeted TGR5 Agonists for the Treatment of Type 2 Diabetes. |
J Med Chem 58: 3315-28 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25708618 | 30 | Discovery and evaluation of a novel monocyclic series of CXCR2 antagonists. |
Bioorg Med Chem Lett 25: 1616-20 (2015) | AstraZeneca | 2D 3D TSV |
| 25708617 | 29 | Minimization of drug-drug interaction risk and candidate selection in a natural product-based class of gamma-secretase modulators. |
Bioorg Med Chem Lett 25: 1621-6 (2015) | Satori Pharmaceuticals, Inc. | 2D 3D TSV |
| 25707322 | 47 | Isoindoline-1,3-dione derivatives targeting cholinesterases: design, synthesis and biological evaluation of potential anti-Alzheimer's agents. |
Bioorg Med Chem 23: 1629-37 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
| 25707014 | 2 | Computer-guided drug repurposing: identification of trypanocidal activity of clofazimine, benidipine and saquinavir. |
Eur J Med Chem 93: 338-48 (2015) | National University of La Plata (UNLP) | 2D 3D TSV |
| 25707013 | 20 | Fused heterocycles bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 4: design, synthesis and biological evaluation of novel imidazo[1,2-a]pyrazines. |
Eur J Med Chem 93: 330-7 (2015) | Shandong University | 2D 3D TSV |
| 25707011 | 52 | Exploring new selective 3-benzylquinoxaline-based MAO-A inhibitors: design, synthesis, biological evaluation and docking studies. |
Eur J Med Chem 93: 308-20 (2015) | Alexandria University | 2D 3D TSV |
| 25706320 | 86 | Synthesis, antioxidant and anticholinesterase activities of novel coumarylthiazole derivatives. |
Bioorg Chem 59: 80-90 (2015) | Bezmialem Vakif University | 2D 3D TSV |
| 25706100 | 65 | 2-Aryl-3-methyloctahydrophenanthrene-2,3,7-triols as potent dissociated glucocorticoid receptor agonists. |
J Med Chem 58: 2658-77 (2015) | TBA | 2D 3D TSV |
| 25703307 | 30 | Synthesis and biological evaluation of 3-aminoisoquinolin-1(2H)-one based inhibitors of the dual-specificity phosphatase Cdc25B. |
Bioorg Med Chem 23: 2810-8 (2015) | University of Pittsburgh | 2D 3D TSV |
| 25703297 | 50 | Synthesis, biological evaluation and 3D-QSAR studies of novel 5-phenyl-1H-pyrazol cinnamamide derivatives as novel antitubulin agents. |
Eur J Med Chem 93: 291-9 (2015) | Nanjing University | 2D 3D TSV |
| 25703296 | 1 | Novel 1-(2-aryl-2-adamantyl)piperazine derivatives with antiproliferative activity. |
Eur J Med Chem 93: 281-90 (2015) | University of Athens | 2D 3D TSV |
| 25703249 | 132 | Novel 4-substituted-N,N-dimethyltetrahydronaphthalen-2-amines: synthesis, affinity, and in silico docking studies at serotonin 5-HT2-type and histamine H1 G protein-coupled receptors. |
Bioorg Med Chem 23: 1588-600 (2015) | University of Florida | 2D 3D TSV |
| 25703248 | 3 | Cannabidiol (CBD) and its analogs: a review of their effects on inflammation. |
Bioorg Med Chem 23: 1377-85 (2015) | University of Massachusetts Medical School | 2D 3D TSV |
| 25701254 | 48 | Novel tail and head group prostamide probes. |
Bioorg Med Chem Lett 25: 1228-31 (2015) | Northeastern University | 2D 3D TSV |
| 25701253 | 23 | Synthesis and SAR studies of analogues of 4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-N-thiazol-2-yl-benzamide (Lu AA41063) as adenosine A2A receptor ligands with improved aqueous solubility. |
Bioorg Med Chem Lett 25: 1212-6 (2015) | H. Lundbeck A/S | 2D 3D TSV |
| 25701252 | 54 | Potent and selective Bruton's tyrosine kinase inhibitors: discovery of GDC-0834. |
Bioorg Med Chem Lett 25: 1333-7 (2015) | Genentech | 2D 3D TSV |
| 25701250 | 32 | Inhibition of monoamine oxidase by indole-5,6-dicarbonitrile derivatives. |
Bioorg Med Chem Lett 25: 1206-11 (2015) | Yaroslavl State Technical University | 2D 3D TSV |
| 25699713 | 6 | Identification of the molecular basis of inhibitor selectivity between the human and streptococcal type I methionine aminopeptidases. |
J Med Chem 58: 2350-7 (2015) | CSIR-Indian Institute of Chemical Technology | 2D 3D TSV |
| 25699637 | 91 | 5'-C-Ethyl-tetrazolyl-N(6)-substituted adenosine and 2-chloro-adenosine derivatives as highly potent dual acting A1 adenosine receptor agonists and A3 adenosine receptor antagonists. |
J Med Chem 58: 2560-6 (2015) | University of Camerino | 2D 3D TSV |
| 25699604 | 74 | Identification of histone deacetylase inhibitors with benzoylhydrazide scaffold that selectively inhibit class I histone deacetylases. |
Chem Biol 22: 273-84 (2015) | University of Florida College of Medicine | 2D 3D TSV |
| 25699576 | 42 | Development of novel ACK1/TNK2 inhibitors using a fragment-based approach. |
J Med Chem 58: 2746-63 (2015) | University of South Florida | 2D 3D TSV |
| 25699405 | 57 | Discovery of potent and selective 8-fluorotriazolopyridine c-Met inhibitors. |
J Med Chem 58: 2417-30 (2015) | Amgen Inc | 2D 3D TSV |
| 25699159 | 3 | Structural Insights for the Optimization of Dihydropyrimidin-2(1H)-one Based mPGES-1 Inhibitors. |
ACS Med Chem Lett 6: 187-91 (2015) | University of Salerno | 2D 3D TSV |
| 25699156 | 24 | Treating pain with somatostatin receptor subtype 4 agonists. |
ACS Med Chem Lett 6: 110-1 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25699155 | 8 | The role of enhancer of zeste homologue 2 inhibitors in controlling epigenetics and their potential for cancer treatment. |
ACS Med Chem Lett 6: 108-9 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25699154 | 4 | Allosteric modulators: an emerging concept in drug discovery. |
ACS Med Chem Lett 6: 104-7 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25699152 | 2 | Improved Synthesis of Biotinol-5'-AMP: Implications for Antibacterial Discovery. |
ACS Med Chem Lett 6: 216-20 (2015) | University of Adelaide | 2D 3D TSV |
| 25699151 | 57 | An Orally Available BACE1 Inhibitor That Affords Robust CNS Aß Reduction without Cardiovascular Liabilities. |
ACS Med Chem Lett 6: 210-5 (2015) | Amgen Inc | 2D 3D TSV |
| 25699149 | 52 | Conformational Restriction Leading to a Selective CB2 Cannabinoid Receptor Agonist Orally Active Against Colitis. |
ACS Med Chem Lett 6: 198-203 (2015) | University of Lille | 2D 3D TSV |
| 25699148 | 41 | Azepinone-Containing Tetrapeptide Analogues of Melanotropin Lead to Selective hMC4R Agonists and hMC5R Antagonist. |
ACS Med Chem Lett 6: 192-7 (2015) | Vrije Universiteit Brussel | 2D 3D TSV |
| 25699147 | 6 | Interconversion of Functional Activity by Minor Structural Alterations in Nonpeptide AT2 Receptor Ligands. |
ACS Med Chem Lett 6: 178-82 (2015) | Uppsala University | 2D 3D TSV |
| 25699146 | 13 | Pure Diastereomers of a Tranylcypromine-Based LSD1 Inhibitor: Enzyme Selectivity and In-Cell Studies. |
ACS Med Chem Lett 6: 173-7 (2015) | Sapienza University of Rome | 2D 3D TSV |
| 25699144 | 5 | Potent Irreversible Inhibitors of LasR Quorum Sensing in Pseudomonas aeruginosa. |
ACS Med Chem Lett 6: 162-7 (2015) | Rowan University | 2D 3D TSV |
| 25699143 | 26 | Evaluation and synthesis of polar aryl- and heteroaryl spiroazetidine-piperidine acetamides as ghrelin inverse agonists. |
ACS Med Chem Lett 6: 156-61 (2015) | Pfizer Inc | 2D 3D TSV |
| 25699140 | 53 | Diphenylpyrazoles as replication protein a inhibitors. |
ACS Med Chem Lett 6: 140-5 (2015) | Vanderbilt University School of Medicine | 2D 3D TSV |
| 25699138 | 38 | Melanocortin antagonist tetrapeptides with minimal agonist activity at the mouse melanocortin-3 receptor. |
ACS Med Chem Lett 6: 123-7 (2015) | University of Minnesota | 2D 3D TSV |
| 25699136 | 16 | Novel Pyridyloxadiazole Agonists of Sphingosin-1-phosphate. |
ACS Med Chem Lett 6: 102-3 (2015) | Dart Neuroscience LLC | 2D 3D TSV |
| 25698617 | 61 | Design, synthesis and SAR studies of GABA uptake inhibitors derived from 2-substituted pyrrolidine-2-yl-acetic acids. |
Bioorg Med Chem 23: 1284-306 (2015) | Ludwig-Maximilians-Universit£t M£nchen | 2D 3D TSV |
| 25698055 | 12 | Structural requirements for TLR7-selective signaling by 9-(4-piperidinylalkyl)-8-oxoadenine derivatives. |
Bioorg Med Chem Lett 25: 1318-23 (2015) | GlaxoSmithKline | 2D 3D TSV |
| 25695864 | 35 | Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold. |
J Med Chem 58: 2649-57 (2015) | Slovak Academy of Sciences | 2D 3D TSV |
| 25695766 | 43 | The discovery of macrocyclic XIAP antagonists from a DNA-programmed chemistry library, and their optimization to give lead compounds with in vivo antitumor activity. |
J Med Chem 58: 2855-61 (2015) | Ensemble Therapeutics Corp | 2D 3D TSV |
| 25695670 | 35 | Discovery of a series of efficient, centrally efficacious BACE1 inhibitors through structure-based drug design. |
J Med Chem 58: 2678-702 (2015) | Eurofarma Laboratorios S.A. | 2D 3D TSV |
| 25695425 | 62 | Semisynthetic Studies on and Biological Evaluation of N-Methyllaurotetanine Analogues as Ligands for 5-HT Receptors. |
J Nat Prod 78: 722-9 (2015) | City University of New York | 2D 3D TSV |
| 25695368 | 4 | Restoration of Chemosensitivity in P-Glycoprotein-Dependent Multidrug-Resistant Cells by Dihydro-ß-agarofuran Sesquiterpenes from Celastrus vulcanicola. |
J Nat Prod 78: 736-45 (2015) | Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (IUBO-AG) | 2D 3D TSV |
| 25693787 | 44 | 6,7-Dihydrobenzo[f]benzo[4,5]imidazo[1,2-d][1,4]oxazepine derivatives as selective inhibitors of PI3Ka. |
Bioorg Med Chem 23: 1231-40 (2015) | Nanjing University | 2D 3D TSV |
| 25690789 | 36 | Design, synthesis, and evaluation of phenylglycinols and phenyl amines as agonists of GPR88. |
Bioorg Med Chem Lett 25: 1448-52 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25690784 | 3 | Discovery of 7-azaindole derivatives as potent Orai inhibitors showing efficacy in a preclinical model of asthma. |
Bioorg Med Chem Lett 25: 1217-22 (2015) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 25689430 | 2 | Acredinones A and B, voltage-dependent potassium channel inhibitors from the sponge-derived fungus Acremonium sp. F9A015. |
J Nat Prod 78: 363-7 (2015) | Seoul National University | 2D 3D TSV |
| 25689347 | 29 | Exploitation of the ability of¿-tocopherol to facilitate membrane co-localization of Akt and PHLPP1 to develop PHLPP1-targeted Akt inhibitors. |
J Med Chem 58: 2290-8 (2015) | The Ohio State University | 2D 3D TSV |
| 25689111 | 7 | Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity. |
J Med Chem 58: 2538-46 (2015) | Second Military Medical University | 2D 3D TSV |
| 25686852 | 191 | Synthesis and biological evaluation of novel pyrrolidine acid analogs as potent dual PPARa/¿ agonists. |
Bioorg Med Chem Lett 25: 1196-205 (2015) | Bristol-Myers Squibb Research and Development (R & D) | 2D 3D TSV |
| 25686851 | 54 | Novel thiazole-thiophene conjugates as adenosine receptor antagonists: synthesis, biological evaluation and docking studies. |
Bioorg Med Chem Lett 25: 1306-9 (2015) | B. V. Patel Pharmaceutical Education and Research Development (PERD) Centre | 2D 3D TSV |
| 25686594 | 26 | Structure-based modification of 3-/4-aminoacetophenones giving a profound change of activity on tyrosinase: from potent activators to highly efficient inhibitors. |
Eur J Med Chem 93: 255-62 (2015) | Sun Yat-sen University | 2D 3D TSV |
| 25686392 | 3 | Myxochelins target human 5-lipoxygenase. |
J Nat Prod 78: 335-8 (2015) | Leibniz-Institute for Natural Product Research and Infection Biology | 2D 3D TSV |
| 25686153 | 73 | Design, synthesis, and biological evaluation of novel matrix metalloproteinase inhibitors as potent antihemorrhagic agents: from hit identification to an optimized lead. |
J Med Chem 58: 2465-88 (2015) | University of Navarra | 2D 3D TSV |
| 25684690 | 22 | Solid-Supported Synthesis and 5-HT7 /5-HT1A Receptor Affinity of Arylpiperazinylbutyl Derivatives of 4,5-dihydro-1,2,4-triazine-6-(1H)-one. |
Chem Biol Drug Des 86: 697-703 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
| 25684426 | 45 | 3-Oxoisoxazole-2(3H)-carboxamides and isoxazol-3-yl carbamates: Resistance-breaking acetylcholinesterase inhibitors targeting the malaria mosquito, Anopheles gambiae. |
Bioorg Med Chem 23: 1321-40 (2015) | Virginia Tech | 2D 3D TSV |
| 25684424 | 22 | Synthesis and biological evaluation of 3-phenyl-3-aryl carboxamido propanoic acid derivatives as small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26A1). |
Bioorg Med Chem 23: 1356-65 (2015) | Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) | 2D 3D TSV |
| 25684421 | 24 | Synthesis and biological evaluation of 4-nitroindole derivatives as 5-HT2A receptor antagonists. |
Bioorg Med Chem 23: 1313-20 (2015) | Ewha Womans University | 2D 3D TSV |
| 25683622 | 86 | Discovery and SAR of novel series of imidazopyrimidinones and dihydroimidazopyrimidinones as positive allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5). |
Bioorg Med Chem Lett 25: 1310-7 (2015) | Janssen Pharmaceutica NV | 2D 3D TSV |
| 25682203 | 13 | Pyrido-imidazodiazepinones as a new class of reversible inhibitors of human kallikrein 7. |
Eur J Med Chem 93: 202-13 (2015) | University of Montpellier | 2D 3D TSV |
| 25681712 | 16 | Benzofuran-derived benzylpyridinium bromides as potent acetylcholinesterase inhibitors. |
Eur J Med Chem 93: 196-201 (2015) | Islamic Azad University | 2D 3D TSV |
| 25681711 | 2 | Neoechinulin B and its analogues as potential entry inhibitors of influenza viruses, targeting viral hemagglutinin. |
Eur J Med Chem 93: 182-95 (2015) | Peking University | 2D 3D TSV |
| 25680029 | 12 | Discovery of potent, orally bioavailable, small-molecule inhibitors of WNT signaling from a cell-based pathway screen. |
J Med Chem 58: 1717-35 (2015) | The Institute of Cancer Research | 2D 3D TSV |
| 25679268 | 9 | A binding mode hypothesis of tiagabine confirms liothyronine effect on¿-aminobutyric acid transporter 1 (GAT1). |
J Med Chem 58: 2149-58 (2015) | University of Vienna | 2D 3D TSV |
| 25679114 | 48 | Structure-guided design of a series of MCL-1 inhibitors with high affinity and selectivity. |
J Med Chem 58: 2180-94 (2015) | AbbVie Inc | 2D 3D TSV |
| 25678016 | 15 | Discovery and structure-activity relationship studies of N6-benzoyladenine derivatives as novel BRD4 inhibitors. |
Bioorg Med Chem 23: 953-9 (2015) | The University of Tokyo | 2D 3D TSV |
| 25678015 | 6 | Synthesis, biological profiling and mechanistic studies of 4-aminoquinoline-based heterodimeric compounds with dual trypanocidal-antiplasmodial activity. |
Bioorg Med Chem 23: 5156-67 (2015) | Universitat de Barcelona | 2D 3D TSV |
| 25678014 | 20 | Rat hormone sensitive lipase inhibition by cyclipostins and their analogs. |
Bioorg Med Chem 23: 944-52 (2015) | University of Missouri St. Louis | 2D 3D TSV |
| 25678013 | 63 | Design, synthesis and evaluation of chromone-2-carboxamido-alkylbenzylamines as multifunctional agents for the treatment of Alzheimer's disease. |
Bioorg Med Chem 23: 911-23 (2015) | Sichuan University | 2D 3D TSV |
| 25677667 | 17 | Discovery of novel oxazepine and diazepine carboxamides as two new classes of heat shock protein 90 inhibitors. |
Bioorg Med Chem Lett 25: 1338-42 (2015) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 25677664 | 30 | Design and discovery of 2-oxochromene derivatives as liver X receptorß-selective agonists. |
Bioorg Med Chem Lett 25: 1274-8 (2015) | Kowa Co., Ltd | 2D 3D TSV |
| 25677662 | 3 | Synthesis and biological evaluation of aryl isoxazole derivatives as metabotropic glutamate receptor 1 antagonists: a potential treatment for neuropathic pain. |
Bioorg Med Chem Lett 25: 1324-8 (2015) | Yonsei University | 2D 3D TSV |
| 25677656 | 7 | A novel molecule with notable activity against multi-drug resistant tuberculosis. |
Bioorg Med Chem Lett 25: 1269-73 (2015) | University of Georgia | 2D 3D TSV |
| 25676607 | 5 | Structure-based design of potent small-molecule binders to the S-component of the ECF transporter for thiamine. |
Chembiochem 16: 819-26 (2015) | University of Groningen | 2D 3D TSV |
| 25671648 | 6 | Selective, nontoxic CB(2) cannabinoid o-quinone with in vivo activity against triple-negative breast cancer. |
J Med Chem 58: 2256-64 (2015) | Instituto de Qu£mica M£dica | 2D 3D TSV |
| 25671290 | 106 | Synthesis, SAR, and series evolution of novel oxadiazole-containing 5-lipoxygenase activating protein inhibitors: discovery of 2-[4-(3-{(r)-1-[4-(2-amino-pyrimidin-5-yl)-phenyl]-1-cyclopropyl-ethyl}-[1,2,4]oxadiazol-5-yl)-pyrazol-1-yl]-N,N-dimethyl-acetamide (BI 665915). |
J Med Chem 58: 1669-90 (2015) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 25668341 | 50 | Structure-based lead optimization and biological evaluation of BAX direct activators as novel potential anticancer agents. |
J Med Chem 58: 2135-48 (2015) | Universit£ di Napoli"Federico II" | 2D 3D TSV |
| 25668242 | 94 | C-Terminal modifications of apelin-13 significantly change ligand binding, receptor signaling, and hypotensive action. |
J Med Chem 58: 2431-40 (2015) | Universit£ de Sherbrooke | 2D 3D TSV |
| 25666912 | 39 | When structure-affinity relationships meet structure-kinetics relationships: 3-((Inden-1-yl)amino)-1-isopropyl-cyclopentane-1-carboxamides as CCR2 antagonists. |
Eur J Med Chem 93: 121-34 (2015) | Leiden University | 2D 3D TSV |
| 25666825 | 30 | Synthesis of benzopentathiepin analogs and their evaluation as inhibitors of the phosphatase STEP. |
Bioorg Med Chem Lett 25: 1044-6 (2015) | Yale University | 2D 3D TSV |
| 25666823 | 90 | Synthesis and SAR study of potent and selective PI3Kd inhibitors. |
Bioorg Med Chem Lett 25: 1104-9 (2015) | Amgen Inc | 2D 3D TSV |
| 25666822 | 19 | Discovery of non-electrophilic capsaicinoid-type TRPA1 ligands. |
Bioorg Med Chem Lett 25: 1009-11 (2015) | Universit£ del Piemonte Orientale | 2D 3D TSV |
| 25666819 | 8 | Marine natural products as inhibitors of cystathionine beta-synthase activity. |
Bioorg Med Chem Lett 25: 1064-6 (2015) | University of Utah | 2D 3D TSV |
| 25666818 | 95 | Discovery of a new series of potent prostacyclin receptor agonists with in vivo activity in rat. |
Bioorg Med Chem Lett 25: 1030-5 (2015) | Arena Pharmaceuticals | 2D 3D TSV |
| 25665518 | 18 | 2,3-Dihydroquinazolin-4(1H)-one derivatives as potential non-peptidyl inhibitors of cathepsins B and H. |
Bioorg Chem 59: 12-22 (2015) | Kurukshetra University | 2D 3D TSV |
| 25662701 | 23 | Synthesis and biological evaluation of 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-4-(indol-3-yl)-maleimides as potent, selective GSK-3ß inhibitors and neuroprotective agents. |
Bioorg Med Chem 23: 1179-88 (2015) | Zhejiang University | 2D 3D TSV |
| 25661449 | 8 | Dibenzosuberyl substituted polyamines and analogs of clomipramine as effective inhibitors of trypanothione reductase; molecular docking, and assessment of trypanocidal activities. |
Bioorg Med Chem 23: 996-1010 (2015) | Canisius College | 2D 3D TSV |
| 25661448 | 31 | Rational design, synthesis and structure-activity relationships of 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues as novel tyrosinase inhibitors. |
Bioorg Med Chem 23: 924-31 (2015) | Sun Yat-sen University | 2D 3D TSV |
| 25659771 | 36 | Pyridine C-region analogs of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists. |
Eur J Med Chem 93: 101-8 (2015) | Seoul National University | 2D 3D TSV |
| 25659754 | 1 | Synthesis and biological evaluation of pyridazino[1',6':1,2]pyrido[3,4-b]indolinium and pyridazino[1,6-a]benzimidazolium salts as anti-inflammatory agents. |
Eur J Med Chem 93: 83-92 (2015) | Instituto de Salud Hospital Universitario La Paz - IdiPAZ | 2D 3D TSV |
| 25659752 | 16 | Design, synthesis and docking studies of novel thienopyrimidine derivatives bearing chromone moiety as mTOR/PI3Ka inhibitors. |
Eur J Med Chem 93: 64-73 (2015) | Jiangxi Science & Technology Normal University | 2D 3D TSV |
| 25658964 | 69 | Synthesis and structure-activity relationship study of a new series of selectives(1) receptor ligands for the treatment of pain: 4-aminotriazoles. |
J Med Chem 58: 2441-51 (2015) | Esteve | 2D 3D TSV |
| 25658507 | 218 | Engineering potent and selective analogues of GpTx-1, a tarantula venom peptide antagonist of the Na(V)1.7 sodium channel. |
J Med Chem 58: 2299-314 (2015) | Amgen Inc | 2D 3D TSV |
| 25656088 | 32 | Multifunctional tacrine-trolox hybrids for the treatment of Alzheimer's disease with cholinergic, antioxidant, neuroprotective and hepatoprotective properties. |
Eur J Med Chem 93: 42-50 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25655723 | 27 | Piperidine-3,4-diol and piperidine-3-ol derivatives of pyrrolo[2,1-f][1,2,4]triazine as inhibitors of anaplastic lymphoma kinase. |
Bioorg Med Chem Lett 25: 1047-52 (2015) | Teva Branded Pharmaceutical Products R & D, Inc. | 2D 3D TSV |
| 25655721 | 51 | Discovery of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally-active GSK-3ß inhibitors for Alzheimer's disease. |
Bioorg Med Chem Lett 25: 1086-91 (2015) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 25654260 | 49 | Discovery of highly selective brain-penetrant vasopressin 1a antagonists for the potential treatment of autism via a chemogenomic and scaffold hopping approach. |
J Med Chem 58: 2275-89 (2015) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 25650314 | 95 | Using click chemistry toward novel 1,2,3-triazole-linked dopamine D3 receptor ligands. |
Bioorg Med Chem 23: 4000-12 (2015) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
| 25650313 | 7 | Naturally occurring polyphenol, morin hydrate, inhibits enzymatic activity of N-methylpurine DNA glycosylase, a DNA repair enzyme with various roles in human disease. |
Bioorg Med Chem 23: 1102-11 (2015) | Georgetown University | 2D 3D TSV |
| 25650311 | 76 | Synthesis and pharmacological characterization of 2-aminobenzaldehyde oxime analogs as dual inhibitors of neutrophil elastase and proteinase 3. |
Bioorg Med Chem 23: 1123-34 (2015) | Chang Gung University | 2D 3D TSV |
| 25650310 | 4 | Computer-aided discovery of aminopyridines as novel JAK2 inhibitors. |
Bioorg Med Chem 23: 985-95 (2015) | Chonnam National University | 2D 3D TSV |
| 25650254 | 1 | Transporter-mediated tissue targeting of therapeutic molecules in drug discovery. |
Bioorg Med Chem Lett 25: 993-7 (2015) | Eli Lilly and Company | 2D 3D TSV |
| 25648685 | 37 | Cell-based and virtual fragment screening for adrenergica2C receptor agonists. |
Bioorg Med Chem 23: 3991-9 (2015) | Gedeon Richter Plc., Gy�mroi�t 19-21, Budapest H-1103, Hungary. | 2D 3D TSV |
| 25648298 | 18 | Discovery of phenylpiperazine derivatives as IGF-1R inhibitor with potent antiproliferative properties in vitro. |
Bioorg Med Chem Lett 25: 1067-71 (2015) | Shandong University of Technology | 2D 3D TSV |
| 25646649 | 20 | Synthesis and biological evaluation of second-generation tropanol-based androgen receptor modulators. |
J Med Chem 58: 1569-74 (2015) | University of Gothenburg | 2D 3D TSV |
| 25644673 | 186 | Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor. |
Eur J Med Chem 93: 16-32 (2015) | Zhejiang University | 2D 3D TSV |
| 25643210 | 16 | Discovery of AZD3147: a potent, selective dual inhibitor of mTORC1 and mTORC2. |
J Med Chem 58: 2326-49 (2015) | AstraZeneca | 2D 3D TSV |
| 25643074 | 26 | Structure-activity relationship studies and in vivo activity of guanidine-based sphingosine kinase inhibitors: discovery of SphK1- and SphK2-selective inhibitors. |
J Med Chem 58: 1879-99 (2015) | Virginia Tech | 2D 3D TSV |
| 25642985 | 45 | Selective nonpeptidic fluorescent ligands for oxytocin receptor: design, synthesis, and application to time-resolved FRET binding assay. |
J Med Chem 58: 2547-52 (2015) | University of Strasburg | 2D 3D TSV |
| 25639862 | 5 | Synthesis, characterization, and optimization for in vivo delivery of a nonselective isopeptidase inhibitor as new antineoplastic agent. |
J Med Chem 58: 1691-704 (2015) | Universit£ degli Studi di Trieste | 2D 3D TSV |
| 25638569 | 3 | Chalcones and their therapeutic targets for the management of diabetes: structural and pharmacological perspectives. |
Eur J Med Chem 92: 839-65 (2015) | Guru Ghasidas Vishwavidyalaya (A Central University) | 2D 3D TSV |
| 25638501 | 32 | Scaffold hopping: exploration of acetanilide-containing uracil analogues as potential NNRTIs. |
Bioorg Med Chem 23: 1069-81 (2015) | Volgograd State Medical University | 2D 3D TSV |
| 25638498 | 23 | Design, synthesis, and biological evaluation of novel 2-methylpiperazine derivatives as potent CCR5 antagonists. |
Bioorg Med Chem 23: 1157-68 (2015) | Zhejiang University | 2D 3D TSV |
| 25638496 | 2 | GPCR crystal structures: Medicinal chemistry in the pocket. |
Bioorg Med Chem 23: 3880-906 (2015) | Friedrich-Alexander University | 2D 3D TSV |
| 25637882 | 2 | 6-Sulfonylbenzothiazolones as potential scaffolds for the design of 5-HT6 ligands. |
Eur J Med Chem 92: 807-17 (2015) | Universities of Lille | 2D 3D TSV |
| 25637123 | 29 | Discovery of biphenyl-based VEGFR-2 inhibitors. Part 3: design, synthesis and 3D-QSAR studies. |
Bioorg Med Chem 23: 1044-54 (2015) | Xi'an Jiaotong University | 2D 3D TSV |
| 25637122 | 4 | Structural development of stapled short helical peptides as vitamin D receptor (VDR)-coactivator interaction inhibitors. |
Bioorg Med Chem 23: 1055-61 (2015) | National Institute of Health Sciences | 2D 3D TSV |
| 25637120 | 94 | Evaluation of histone deacetylase inhibitors (HDACi) as therapeutic leads for human African trypanosomiasis (HAT). |
Bioorg Med Chem 23: 5151-5 (2015) | St. Jude Children's Research Hospital | 2D 3D TSV |
| 25636055 | 13 | Potent acetylcholinesterase inhibitors: design, synthesis, biological evaluation, and docking study of acridone linked to 1,2,3-triazole derivatives. |
Eur J Med Chem 92: 799-806 (2015) | Tehran University of Medical Sciences | 2D 3D TSV |
| 25636004 | 12 | Structure-guided design of a high affinity inhibitor to human CtBP. |
ACS Chem Biol 10: 1118-27 (2015) | University of Massachusetts Medical School | 2D 3D TSV |
| 25635706 | 171 | 3,4-diaminobenzoic acid derivatives as inhibitors of the oxytocinase subfamily of M1 aminopeptidases with immune-regulating properties. |
J Med Chem 58: 1524-43 (2015) | National Center for Scientific Research"Demokritos" | 2D 3D TSV |
| 25634381 | 47 | Characterization of two distinct structural classes of selective aldehyde dehydrogenase 1A1 inhibitors. |
J Med Chem 58: 1964-75 (2015) | Indiana University | 2D 3D TSV |
| 25634295 | 260 | PAINS in the assay: chemical mechanisms of assay interference and promiscuous enzymatic inhibition observed during a sulfhydryl-scavenging HTS. |
J Med Chem 58: 2091-113 (2015) | Mayo Clinic | 2D 3D TSV |
| 25633969 | 96 | Optimization of 2-phenylcyclopropylmethylamines as selective serotonin 2C receptor agonists and their evaluation as potential antipsychotic agents. |
J Med Chem 58: 1992-2002 (2015) | University of Illinois at Chicago | 2D 3D TSV |
| 25633741 | 67 | Discovery and profiling of a selective and efficacious Syk inhibitor. |
J Med Chem 58: 1950-63 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25633494 | 128 | A facile and novel synthesis of N(2)-, C(6)-substituted pyrazolo[3,4-d]pyrimidine-4 carboxylate derivatives as adenosine receptor antagonists. |
Eur J Med Chem 92: 784-98 (2015) | National University of Singapore | 2D 3D TSV |
| 25630225 | 5 | Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase. |
Bioorg Med Chem Lett 25: 1117-23 (2015) | McGill University | 2D 3D TSV |
| 25630223 | 5 | Target engagement in lead generation. |
Bioorg Med Chem Lett 25: 998-1008 (2015) | Eli Lilly and Company | 2D 3D TSV |
| 25629394 | 52 | Discovery of (R)-1-(3-((2-chloro-4-(((2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl)amino)methyl)-5-methoxyphenyl)amino)-3-oxopropyl)piperidin-4-yl [1,1'-biphenyl]-2-ylcarbamate (TD-5959, GSK961081, batefenterol): first-in-class dual pharmacology multivalent muscarinic antagonist.. |
J Med Chem 58: 2609-22 (2015) | Theravance Biopharma, Inc. | 2D 3D TSV |
| 25629304 | 3 | Synthesis of xanthohumol analogues and discovery of potent thioredoxin reductase inhibitor as potential anticancer agent. |
J Med Chem 58: 1795-805 (2015) | Lanzhou University | 2D 3D TSV |
| 25629256 | 56 | Structure-activity relationship of pyrrolyl diketo acid derivatives as dual inhibitors of HIV-1 integrase and reverse transcriptase ribonuclease H domain. |
J Med Chem 58: 1915-28 (2015) | Universit£ di Roma | 2D 3D TSV |
| 25627172 | 150 | Novel arylalkenylpropargylamines as neuroprotective, potent, and selective monoamine oxidase B inhibitors for the treatment of Parkinson's disease. |
J Med Chem 58: 1400-19 (2015) | A* STAR | 2D 3D TSV |
| 25626527 | 6 | Novel Diketopiperazine Dihydroorotate Dehydrogenase Inhibitors Purified from Traditional Tibetan Animal Medicine Osteon Myospalacem Baileyi. |
Chem Biol Drug Des 86: 626-36 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25626145 | 3 | Fused heterocycles bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 3: optimization of [1,2,4]triazolo[1,5-a]pyrimidine core via structure-based and physicochemical property-driven approaches. |
Eur J Med Chem 92: 754-65 (2015) | Shandong University | 2D 3D TSV |
| 25625617 | 41 | Discovery of imidazo[1,2-b]pyridazine derivatives: selective and orally available Mps1 (TTK) kinase inhibitors exhibiting remarkable antiproliferative activity. |
J Med Chem 58: 1760-75 (2015) | Shionogi Pharmaceutical Research Center | 2D 3D TSV |
| 25625541 | 58 | Overcoming mutagenicity and ion channel activity: optimization of selective spleen tyrosine kinase inhibitors. |
J Med Chem 58: 1929-39 (2015) | Merck & Co. Inc | 2D 3D TSV |
| 25625428 | 10 | Progress in Discovery of KIF5B-RET Kinase Inhibitors for the Treatment of Non-Small-Cell Lung Cancer. |
J Med Chem 58: 3672-81 (2015) | Daegu-Gyeongbuk Medical Innovation Foundation (DGMIF) | 2D 3D TSV |
| 25624107 | 74 | Synthesis, biological evaluation and molecular docking study of novel piperidine and piperazine derivatives as multi-targeted agents to treat Alzheimer's disease. |
Bioorg Med Chem 23: 1135-48 (2015) | University of Delhi | 2D 3D TSV |
| 25621991 | 62 | Development of multifunctional, heterodimeric isoindoline-1,3-dione derivatives as cholinesterase andß-amyloid aggregation inhibitors with neuroprotective properties. |
Eur J Med Chem 92: 738-49 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
| 25621531 | 114 | Bis-aryl urea derivatives as potent and selective LIM kinase (Limk) inhibitors. |
J Med Chem 58: 1846-61 (2015) | Translational Research Institute | 2D 3D TSV |
| 25619742 | 51 | Design and Biological Evaluation of Furan/Pyrrole/Thiophene-2-carboxamide Derivatives as Efficient DNA GyraseB Inhibitors of Staphylococcus aureus. |
Chem Biol Drug Des 86: 918-25 (2015) | Birla Institute of Technology | 2D 3D TSV |
| 25619636 | 4 | Computer-aided identification of novel anticancer compounds with a possible dual HER1/HER2 inhibition mechanism. |
Bioorg Med Chem Lett 25: 758-62 (2015) | Cardiff University | 2D 3D TSV |
| 25619419 | 5 | Tampering with cell division by using small-molecule inhibitors of CDK-CKS protein interactions. |
Chembiochem 16: 432-9 (2015) | Université Pierre et Marie Curie | 2D 3D TSV |
| 25618597 | 12 | Design and synthesis of N-methylpyrimidone derivatives as HIV-1 integrase inhibitors. |
Bioorg Med Chem 23: 735-41 (2015) | Beijing University of Technology | 2D 3D TSV |
| 25618019 | 16 | Interaction of human organic anion transporter polypeptides 1B1 and 1B3 with antineoplastic compounds. |
Eur J Med Chem 92: 723-31 (2015) | Universit£tsmedizin G£ttingen | 2D 3D TSV |
| 25616902 | 112 | Discovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors. |
Bioorg Med Chem Lett 25: 775-80 (2015) | Amgen Inc | 2D 3D TSV |
| 25615020 | 2 | Specificity and inhibitory mechanism of andrographolide and its analogues as antiasthma agents on NF-¿B p50. |
J Nat Prod 78: 208-17 (2015) | National University of Singapore | 2D 3D TSV |
| 25614117 | 37 | Multifunctional scutellarin-rivastigmine hybrids with cholinergic, antioxidant, biometal chelating and neuroprotective properties for the treatment of Alzheimer's disease. |
Bioorg Med Chem 23: 668-80 (2015) | Sichuan University | 2D 3D TSV |
| 25614116 | 13 | Discovery of phenoxybutanoic acid derivatives as potent endothelin antagonists with antihypertensive activity. |
Bioorg Med Chem 23: 657-67 (2015) | Southeast University | 2D 3D TSV |
| 25614114 | 1 | Novel, potent, orally bioavailable and selective mycobacterial ATP synthase inhibitors that demonstrated activity against both replicating and non-replicating M. tuberculosis. |
Bioorg Med Chem 23: 742-52 (2015) | CSIR-Central Drug Research Institute | 2D 3D TSV |
| 25613679 | 79 | Development of 2-aminooxazoline 3-azaxanthenes as orally efficaciousß-secretase inhibitors for the potential treatment of Alzheimer's disease. |
Bioorg Med Chem Lett 25: 767-74 (2015) | Amgen Inc | 2D 3D TSV |
| 25613676 | 34 | Discovery of diazepane amide DORAs and 2-SORAs enabled by exploration of isosteric quinazoline replacements. |
Bioorg Med Chem Lett 25: 4992-9 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25611347 | 2 | Quinofuracins A-E, produced by the fungus Staphylotrichum boninense PF1444, show p53-dependent growth suppression. |
J Nat Prod 78: 188-95 (2015) | Institute of Microbial Chemistry (BIKAKEN) | 2D 3D TSV |
| 25611072 | 20 | Structural investigation of B-Raf paradox breaker and inducer inhibitors. |
J Med Chem 58: 1818-31 (2015) | UMR CNRS-Universit£ d'Orl£ans 7311 | 2D 3D TSV |
| 25610955 | 53 | Design, synthesis, and structure-activity relationship of novel LSD1 inhibitors based on pyrimidine-thiourea hybrids as potent, orally active antitumor agents. |
J Med Chem 58: 1705-16 (2015) | Zhengzhou University | 2D 3D TSV |
| 25603482 | 54 | Discovery of highly potent, selective, and efficacious small molecule inhibitors of ERK1/2. |
J Med Chem 58: 1976-91 (2015) | Array BioPharma Inc | 2D 3D TSV |
| 25602932 | 22 | Synthesis and pharmacological evaluation of benzannulated derivatives as potent and selective sigma-1 protein ligands. |
Eur J Med Chem 92: 575-82 (2015) | University of Lille | 2D 3D TSV |
| 25602762 | 38 | Design and synthesis of potent and multifunctional aldose reductase inhibitors based on quinoxalinones. |
J Med Chem 58: 1254-67 (2015) | Birla Institute of Technology | 2D 3D TSV |
| 25602734 | 4 | Cell-permeable inhibitors of neuronal nitric oxide synthase open new prospects for the treatment of neurological disorders. |
J Med Chem 58: 1064-6 (2015) | Vibrant Pharma Inc. | 2D 3D TSV |
| 25602637 | 27 | Novel 5-substituted pyrrolo[2,3-d]pyrimidines as dual inhibitors of glycinamide ribonucleotide formyltransferase and 5-aminoimidazole-4-carboxamide ribonucleotide formyltransferase and as potential antitumor agents. |
J Med Chem 58: 1479-93 (2015) | Duquesne University | 2D 3D TSV |
| 25602368 | 16 | Selective inhibitor of platelet-activating factor acetylhydrolases 1b2 and 1b3 that impairs cancer cell survival. |
ACS Chem Biol 10: 925-32 (2015) | University of California Berkeley | 2D 3D TSV |
| 25600407 | 26 | Reversible and irreversible small molecule inhibitors of monoamine oxidase B (MAO-B) investigated by biophysical techniques. |
Bioorg Med Chem 23: 770-8 (2015) | Dart Neuroscience LLC | 2D 3D TSV |
| 25600405 | 7 | Absolute structures and bioactivities of euryspongins and eurydiene obtained from the marine sponge Euryspongia sp. collected at Iriomote Island. |
Bioorg Med Chem 23: 797-802 (2015) | Tohoku Pharmaceutical University | 2D 3D TSV |
| 25599952 | 20 | Synthesis, radiolabeling and evaluation of novel 4-oxo-quinoline derivatives as PET tracers for imaging cannabinoid type 2 receptor. |
Eur J Med Chem 92: 554-64 (2015) | Institute of Pharmaceutical Sciences | 2D 3D TSV |
| 25599950 | 79 | Probes for narcotic receptor mediated phenomena 49. N-substituted rac-cis-4a-arylalkyl-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-6-ols. |
Eur J Med Chem 92: 531-9 (2015) | National Institute on Drug Abuse | 2D 3D TSV |
| 25599839 | 75 | Optimisation of in silico derived 2-aminobenzimidazole hits as unprecedented selective kappa opioid receptor agonists. |
Bioorg Med Chem Lett 25: 887-92 (2015) | Dr. Reddy's Laboratories Ltd | 2D 3D TSV |
| 25599838 | 9 | Thiol-derivatized minihepcidins retain biological activity. |
Bioorg Med Chem Lett 25: 763-6 (2015) | University of California Los Angeles | 2D 3D TSV |
| 25599836 | 14 | Multi-parameter optimization of aza-follow-ups to BI 207524, a thumb pocket 1 HCV NS5B polymerase inhibitor. Part 2: Impact of lipophilicity on promiscuity and in vivo toxicity. |
Bioorg Med Chem Lett 25: 1140-5 (2015) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
| 25597334 | 67 | Discovery of novel 2,5-dioxoimidazolidine-based P2X(7) receptor antagonists as constrained analogues of KN62. |
J Med Chem 58: 2114-34 (2015) | Gwangju Institute of Science and Technology (GIST) | 2D 3D TSV |
| 25597012 | 1 | Flavokawains B and C, melanogenesis inhibitors, isolated from the root of Piper methysticum and synthesis of analogs. |
Bioorg Med Chem Lett 25: 799-802 (2015) | Sungkyunkwan University | 2D 3D TSV |
| 25597011 | 16 | 6,6-Fused heterocyclic ureas as highly potent TRPV1 antagonists. |
Bioorg Med Chem Lett 25: 803-6 (2015) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 25597007 | 14 | Synthesis and pharmacological evaluation of multifunctional tacrine derivatives against several disease pathways of AD. |
Bioorg Med Chem Lett 25: 807-10 (2015) | Universit£ di Pisa | 2D 3D TSV |
| 25597006 | 8 | Discovery of thienoimidazole-based HCV NS5A inhibitors. Part 2: non-symmetric inhibitors with potent activity against genotype 1a and 1b. |
Bioorg Med Chem Lett 25: 940-3 (2015) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 25597005 | 86 | The discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors. |
Bioorg Med Chem Lett 25: 834-40 (2015) | Amgen Inc | 2D 3D TSV |
| 25597004 | 18 | Iminosugars as a new class of cholinesterase inhibitors. |
Bioorg Med Chem Lett 25: 830-3 (2015) | University of Strasburg | 2D 3D TSV |
| 25596758 | 5 | Synthesis, biological evaluation and docking analysis of a new series of methylsulfonyl and sulfamoyl acetamides and ethyl acetates as potent COX-2 inhibitors. |
Bioorg Med Chem 23: 810-20 (2015) | Sapienza University of Rome | 2D 3D TSV |
| 25596757 | 64 | Discovery of novel Bruton's tyrosine kinase (BTK) inhibitors bearing a pyrrolo[2,3-d]pyrimidine scaffold. |
Bioorg Med Chem 23: 891-901 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25596166 | 4 | Discovery of 3H-imidazo[4,5-c]quinolin-4(5H)-ones as potent and selective dipeptidyl peptidase IV (DPP-4) inhibitors: use of a carboxylate prodrug to improve bioavailability. |
Bioorg Med Chem 23: 779-90 (2015) | Sumitomo Dainippon Pharma Co., Ltd | 2D 3D TSV |
| 25595684 | 62 | Diaminopyrimidines, diaminopyridines and diaminopyridazines as histamine H4 receptor modulators. |
Bioorg Med Chem Lett 25: 956-9 (2015) | Janssen Research and Development LLC | 2D 3D TSV |
| 25595683 | 3 | Two new protein tyrosine phosphatase 1B inhibitors, hyattellactones A and B, from the Indonesian marine sponge Hyattella sp. |
Bioorg Med Chem Lett 25: 904-7 (2015) | Tohoku Pharmaceutical University | 2D 3D TSV |
| 25594740 | 33 | Identification of novel aminothiazole and aminothiadiazole conjugated cyanopyridines as selective CHK1 inhibitors. |
Eur J Med Chem 92: 459-70 (2015) | Cairo University | 2D 3D TSV |
| 25594223 | 3 | Glycosylated enfuvirtide: a long-lasting glycopeptide with potent anti-HIV activity. |
J Med Chem 58: 1372-9 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25593099 | 57 | Development of potent dopamine-norepinephrine uptake inhibitors (DNRIs) based on a (2S,4R,5R)-2-benzhydryl-5-((4-methoxybenzyl)amino)tetrahydro-2H-pyran-4-ol molecular template. |
Bioorg Med Chem 23: 821-8 (2015) | Wayne State University | 2D 3D TSV |
| 25593098 | 17 | Development of 1,3-diphenyladamantane derivatives as nonsteroidal progesterone receptor antagonists. |
Bioorg Med Chem 23: 803-9 (2015) | Tokyo Medical and Dental University | 2D 3D TSV |
| 25593096 | 65 | Potency enhancement of the¿-opioid receptor antagonist probe ML140 through sulfonamide constraint utilizing a tetrahydroisoquinoline motif. |
Bioorg Med Chem 23: 3948-56 (2015) | University of Kansas Specialized Chemistry Center | 2D 3D TSV |
| 25592716 | 6 | Insights on the role of boron containing moieties in the design of new potent and efficient agonists targeting theß2 adrenoceptor. |
Bioorg Med Chem Lett 25: 820-5 (2015) | Instituto Polit£cnico Nacional (IPN) | 2D 3D TSV |
| 25592713 | 37 | Pyridine and pyridinone-based factor XIa inhibitors. |
Bioorg Med Chem Lett 25: 925-30 (2015) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25592707 | 31 | Synthesis and in vitro characterization of cinnoline and benzimidazole analogues as phosphodiesterase 10A inhibitors. |
Bioorg Med Chem Lett 25: 919-24 (2015) | Washington University | 2D 3D TSV |
| 25591066 | 23 | Discovery and development of Galeterone (TOK-001 or VN/124-1) for the treatment of all stages of prostate cancer. |
J Med Chem 58: 2077-87 (2015) | University of Maryland | 2D 3D TSV |
| 25590863 | 34 | Synthesis and bioevaluation of pyrazole-benzimidazolone hybrids as novel human 4-Hydroxyphenylpyruvate dioxygenase inhibitors. |
Eur J Med Chem 92: 427-38 (2015) | Central China Normal University | 2D 3D TSV |
| 25590655 | 44 | Proof of concept study for designed multiple ligands targeting the dopamine D2, serotonin 5-HT2A, and muscarinic M1 acetylcholine receptors. |
J Med Chem 58: 1550-5 (2015) | Monash University (Parkville Campus) | 2D 3D TSV |
| 25590533 | 245 | Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1. |
ACS Chem Biol 10: 1072-81 (2015) | University of North Carolina at Chapel Hill | 2D 3D TSV |
| 25590515 | 139 | Development of a series of aryl pyrimidine kynurenine monooxygenase inhibitors as potential therapeutic agents for the treatment of Huntington's disease. |
J Med Chem 58: 1159-83 (2015) | Evotec (UK) Ltd | 2D 3D TSV |
| 25590374 | 23 | Hupehenols A-E, selective 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors from Viburnum hupehense. |
J Nat Prod 78: 330-4 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25589938 | 5 | Synthesis and Structure-Activity Relationship Study of 5a-Carbasugar Analogues of SL0101. |
ACS Med Chem Lett 6: 95-9 (2015) | Northeastern University | 2D 3D TSV |
| 25589937 | 3 | Distinct binding mode of multikinase inhibitor lenvatinib revealed by biochemical characterization. |
ACS Med Chem Lett 6: 89-94 (2015) | Eisai Co., Ltd | 2D 3D TSV |
| 25589936 | 36 | Discovery and Development of LX7101, a Dual LIM-Kinase and ROCK Inhibitor for the Treatment of Glaucoma. |
ACS Med Chem Lett 6: 84-8 (2015) | Lexicon Pharmaceuticals, Inc. | 2D 3D TSV |
| 25589935 | 1 | Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases. |
ACS Med Chem Lett 6: 79-83 (2015) | University of Zurich | 2D 3D TSV |
| 25589934 | 125 | Discovery of N-[4-(1H-Pyrazolo[3,4-b]pyrazin-6-yl)-phenyl]-sulfonamides as Highly Active and Selective SGK1 Inhibitors. |
ACS Med Chem Lett 6: 73-8 (2015) | Sanofi R & D | 2D 3D TSV |
| 25589933 | 38 | Unfolded Protein Response in Cancer: IRE1a Inhibition by Selective Kinase Ligands Does Not Impair Tumor Cell Viability. |
ACS Med Chem Lett 6: 68-72 (2015) | Amgen Inc | 2D 3D TSV |
| 25589932 | 60 | Synthesis and Biological Evaluation of Pyrazolo[1,5-a]pyrimidine Compounds as Potent and Selective Pim-1 Inhibitors. |
ACS Med Chem Lett 6: 63-7 (2015) | Astex Pharmaceuticals Inc | 2D 3D TSV |
| 25589931 | 42 | Pyrimidine-based tricyclic molecules as potent and orally efficacious inhibitors of wee1 kinase. |
ACS Med Chem Lett 6: 58-62 (2015) | AbbVie Inc | 2D 3D TSV |
| 25589930 | 62 | Discovery of a Type III Inhibitor of LIM Kinase 2 That Binds in a DFG-Out Conformation. |
ACS Med Chem Lett 6: 53-7 (2015) | Lexicon Pharmaceuticals, Inc. | 2D 3D TSV |
| 25589928 | 37 | Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors. |
ACS Med Chem Lett 6: 42-6 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25589927 | 36 | Structure-Based Drug Design of Novel Potent and Selective Tetrahydropyrazolo[1,5-a]pyrazines as ATR Inhibitors. |
ACS Med Chem Lett 6: 37-41 (2015) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25589926 | 20 | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. |
ACS Med Chem Lett 6: 31-6 (2015) | Astex Pharmaceuticals | 2D 3D TSV |
| 25589925 | 13 | Fragment-based discovery of type I inhibitors of maternal embryonic leucine zipper kinase. |
ACS Med Chem Lett 6: 25-30 (2015) | Astex Pharmaceuticals | 2D 3D TSV |
| 25589924 | 6 | Novel Disubstituted Pyrimidines as Inhibitors of Bruton's Tyrosine Kinase. |
ACS Med Chem Lett 6: 23-4 (2015) | Dart Neuroscience LLC | 2D 3D TSV |
| 25589923 | 20 | Pyrrolopyridines-quinazolines Inhibitors of PKR-Like ER Kinase. |
ACS Med Chem Lett 6: 21-2 (2015) | Dart Neuroscience LLC | 2D 3D TSV |
| 25589922 | 24 | Novel azaindazole sulfonamides inhibitors of serum and glucocorticoid regulated kinase. |
ACS Med Chem Lett 6: 19-20 (2015) | Dart Neuroscience LLC | 2D 3D TSV |
| 25589921 | 8 | P21-Activated Kinase 4 (PAK4) Inhibitors as Potential Cancer Therapy. |
ACS Med Chem Lett 6: 17-8 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25589920 | 72 | Quinalozinones as Inhibitors of Class I PI3K Kinases. |
ACS Med Chem Lett 6: 15-6 (2015) | Dart Neuroscience LLC | 2D 3D TSV |
| 25589919 | 2 | RET Kinase Inhibitors May Treat Cancer and Gastrointestinal Disorders. |
ACS Med Chem Lett 6: 13-4 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25589918 | 4 | Dual leucine zipper kinase inhibitors: potential treatments for neurodegenerative diseases. |
ACS Med Chem Lett 6: 11-2 (2015) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25589917 | 6 | Pyrrolopyrimidine Analogues as MKNK Inhibitors. |
ACS Med Chem Lett 6: 9-10 (2015) | Dart Neuroscience LLC | 2D 3D TSV |
| 25589916 | 5 | Combination of novel imidazopyridazine mps-1 kinase inhibitors and bcl-2 family protein inhibitors. |
ACS Med Chem Lett 6: 7-8 (2015) | Dart Neuroscience LLC | 2D 3D TSV |
| 25589915 | 41 | Class II but Not Second Class-Prospects for the Development of Class II PI3K Inhibitors. |
ACS Med Chem Lett 6: 3-6 (2015) | Monash University (Parkville Campus) | 2D 3D TSV |
| 25587934 | 3 | Sesquiterpenoid tropolone glycosides from Liriosma ovata. |
J Nat Prod 78: 315-9 (2015) | Food and Drug Administration | 2D 3D TSV |
| 25587754 | 146 | Discovery of 1H-pyrazol-3(2H)-ones as potent and selective inhibitors of protein kinase R-like endoplasmic reticulum kinase (PERK). |
J Med Chem 58: 1426-41 (2015) | Amgen Inc | 2D 3D TSV |
| 25587631 | 5 | Pachymodulin, a new functional formyl peptide receptor 2 peptidic ligand isolated from frog skin has Janus-like immunomodulatory capacities. |
J Med Chem 58: 1089-99 (2015) | Sorbonne University | 2D 3D TSV |
| 25585009 | 26 | Synthesis of novel inhibitors ofa-glucosidase based on the benzothiazole skeleton containing benzohydrazide moiety and their molecular docking studies. |
Eur J Med Chem 92: 387-400 (2015) | Universiti Teknologi MARA (UiTM) | 2D 3D TSV |
| 25585008 | 28 | Further insights into the SAR of ?-substituted cyclopropylamine derivatives as inhibitors of histone demethylase KDM1A. |
Eur J Med Chem 92: 377-86 (2015) | University of Parma | 2D 3D TSV |
| 25584393 | 14 | Discovery of potent heterodimeric antagonists of inhibitor of apoptosis proteins (IAPs) with sustained antitumor activity. |
J Med Chem 58: 1556-62 (2015) | Bristol-Myers Squibb Research | 2D 3D TSV |
| 25583100 | 107 | Anthranilic acid derivatives as nuclear receptor modulators--development of novel PPAR selective and dual PPAR/FXR ligands. |
Bioorg Med Chem 23: 499-514 (2015) | Goethe-University Frankfurt | 2D 3D TSV |
| 25583099 | 56 | Synthesis and pharmacological evaluation of N-benzyl substituted 4-bromo-2,5-dimethoxyphenethylamines as 5-HT2A/2C partial agonists. |
Bioorg Med Chem 23: 3933-7 (2015) | University of Copenhagen | 2D 3D TSV |
| 25582600 | 22 | Discovery of indole-derived pyridopyrazine-1,6-dione¿-secretase modulators that target presenilin. |
Bioorg Med Chem Lett 25: 908-13 (2015) | Pfizer Inc | 2D 3D TSV |
| 25582598 | 36 | Development of novel Asf1-H3/H4 inhibitors. |
Bioorg Med Chem Lett 25: 963-8 (2015) | Colorado State University | 2D 3D TSV |
| 25581511 | 32 | The Synthesis and Evaluation of C7-Substituted a-Tetralone Derivatives as Inhibitors of Monoamine Oxidase. |
Chem Biol Drug Des 86: 895-904 (2015) | North-West University | 2D 3D TSV |
| 25581127 | 14 | Carbonic anhydrase inhibitors with dual-tail moieties to match the hydrophobic and hydrophilic halves of the carbonic anhydrase active site. |
J Med Chem 58: 1494-501 (2015) | Griffith University | 2D 3D TSV |
| 25581017 | 8 | Discovery of small molecule inhibitors to Krüppel-like factor 10 (KLF10): implications for modulation of T regulatory cell differentiation. |
J Med Chem 58: 1466-78 (2015) | Beth Israel Deaconess Medical Center | 2D 3D TSV |
| 25580811 | 54 | Design, synthesis, X-ray crystallographic analysis, and biological evaluation of thiazole derivatives as potent and selective inhibitors of human dihydroorotate dehydrogenase. |
J Med Chem 58: 1123-39 (2015) | East China University of Science and Techology | 2D 3D TSV |
| 25580204 | 10 | 3,5-Diamino-1,2,4-triazoles as a novel scaffold for potent, reversible LSD1 (KDM1A) inhibitors. |
Medchemcomm 5: 1863-1870 (2014) | Medical University of South Carolina | 2D 3D TSV |
| 25577041 | 7 | Benzimidazole-containing HCV NS5A inhibitors: effect of 4-substituted pyrrolidines in balancing genotype 1a and 1b potency. |
Bioorg Med Chem Lett 25: 944-7 (2015) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 25577040 | 54 | Discovery of piperidine ethers as selective orexin receptor antagonists (SORAs) inspired by filorexant. |
Bioorg Med Chem Lett 25: 444-50 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25576738 | 12 | Antileishmanial activity of quinazoline derivatives: synthesis, docking screens, molecular dynamic simulations and electrochemical studies. |
Eur J Med Chem 92: 314-31 (2015) | Universidad Nacional Aut£noma de M£xico | 2D 3D TSV |
| 25575659 | 124 | SAR-studies of¿-secretase modulators with PPAR¿-agonistic and 5-lipoxygenase-inhibitory activity for Alzheimer's disease. |
Bioorg Med Chem Lett 25: 841-6 (2015) | Goethe-University Frankfurt | 2D 3D TSV |
| 25575658 | 83 | Selective CB2 receptor agonists. Part 3: the optimization of a piperidine-based series that demonstrated efficacy in an in vivo neuropathic pain model. |
Bioorg Med Chem Lett 25: 587-92 (2015) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 25575657 | 48 | Structure-based design of low-nanomolar PIM kinase inhibitors. |
Bioorg Med Chem Lett 25: 474-80 (2015) | Biogen Idec Inc | 2D 3D TSV |
| 25571794 | 40 | Structure-based design and optimization of potent inhibitors of the adenoviral protease. |
Bioorg Med Chem Lett 25: 438-43 (2015) | Novartis Institute for BioMedical Research | 2D 3D TSV |
| 25569308 | 52 | A high-throughput screen reveals new small-molecule activators and inhibitors of pantothenate kinases. |
J Med Chem 58: 1563-8 (2015) | St. Jude Children's Research Hospital | 2D 3D TSV |
| 25569186 | 4 | Identification of the minimum peptide from mouse myostatin prodomain for human myostatin inhibition. |
J Med Chem 58: 1544-9 (2015) | Tokyo University of Pharmacy and Life Sciences | 2D 3D TSV |
| 25569119 | 28 | Small molecule discoidin domain receptor kinase inhibitors and potential medical applications. |
J Med Chem 58: 3287-301 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25565255 | 49 | Metabotropic glutamate receptor 5 negative allosteric modulators: discovery of 2-chloro-4-[1-(4-fluorophenyl)-2,5-dimethyl-1H-imidazol-4-ylethynyl]pyridine (basimglurant, RO4917523), a promising novel medicine for psychiatric diseases. |
J Med Chem 58: 1358-71 (2015) | Roche Pharmaceutical Research and Early Development | 2D 3D TSV |
| 25564378 | 56 | Fluoro-substituted phenylazocarboxamides: Dopaminergic behavior and N-arylating properties for irreversible binding. |
Bioorg Med Chem 23: 3938-47 (2015) | Friedrich-Alexander-Universit£t Erlangen-N£rnberg | 2D 3D TSV |
| 25563890 | 49 | Hydroxamic acid based histone deacetylase inhibitors with confirmed activity against the malaria parasite. |
Bioorg Med Chem Lett 25: 459-61 (2015) | R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. | 2D 3D TSV |
| 25562563 | 18 | Methoxyflavones from Stachys glutinosa with binding affinity to opioid receptors: in silico, in vitro, and in vivo studies. |
J Nat Prod 78: 69-76 (2015) | National Research Council | 2D 3D TSV |
| 25559759 | 12 | Insulin-mimetic selaginellins from Selaginella tamariscina with protein tyrosine phosphatase 1B (PTP1B) inhibitory activity. |
J Nat Prod 78: 34-42 (2015) | Catholic University of Daegu | 2D 3D TSV |
| 25559742 | 6 | Design, synthesis and evaluation of isoxazolo[5,4-d]pyrimidin-4(5H)-one derivatives as antithrombotic agents. |
Bioorg Med Chem Lett 25: 492-5 (2015) | Southeast University | 2D 3D TSV |
| 25559428 | 38 | Fragment-based drug discovery of 2-thiazolidinones as BRD4 inhibitors: 2. Structure-based optimization. |
J Med Chem 58: 1281-97 (2015) | Shanghai Institute of Materia Medica | 2D 3D TSV |
| 25559347 | 1 | Design, synthesis, and biological evaluation of tetrazole analogs of Cl-amidine as protein arginine deiminase inhibitors. |
J Med Chem 58: 1337-44 (2015) | University of Massachusetts Medical School | 2D 3D TSV |
| 25559213 | 14 | Highly selective salicylketoxime-based estrogen receptorß agonists display antiproliferative activities in a glioma model. |
J Med Chem 58: 1184-94 (2015) | Universit£ di Pisa | 2D 3D TSV |
| 25559207 | 92 | Synthesis and biological evaluations of novel endomorphin analogues containinga-hydroxy-ß-phenylalanine (AHPBA) displaying mixedµ/d opioid receptor agonist andd opioid receptor antagonist activities. |
Eur J Med Chem 92: 270-81 (2015) | Zhejiang University | 2D 3D TSV |
| 25559205 | 31 | Cyclopentyl-pyrimidine based analogues as novel and potent IGF-1R inhibitor. |
Eur J Med Chem 92: 246-56 (2015) | Piramal Enterprises Limited | 2D 3D TSV |
| 25559100 | 25 | Exploration of cyanine compounds as selective inhibitors of protein arginine methyltransferases: synthesis and biological evaluation. |
J Med Chem 58: 1228-43 (2015) | The University of Georgia | 2D 3D TSV |
| 25559080 | 38 | Additivity or cooperativity: which model can predict the influence of simultaneous incorporation of two or more functionalities in a ligand molecule? |
Eur J Med Chem 90: 897-915 (2015) | The State University of New York | 2D 3D TSV |
| 25558988 | 6 | Original 2-(3-alkoxy-1H-pyrazol-1-yl)pyrimidine derivatives as inhibitors of human dihydroorotate dehydrogenase (DHODH). |
J Med Chem 58: 860-77 (2015) | Institut Pasteur | 2D 3D TSV |
| 25558349 | 22 | Acyl protein thioesterase inhibitors as probes of dynamic S-palmitoylation. |
Medchemcomm 5: 268-276 (2014) | University of Michigan | 2D 3D TSV |
| 25557493 | 109 | Novel 5-HT6 receptor antagonists/D2 receptor partial agonists targeting behavioral and psychological symptoms of dementia. |
Eur J Med Chem 92: 221-35 (2015) | Jagiellonian University Collegium Medicum | 2D 3D TSV |
| 25556101 | 18 | Identification of indole-3-carboxylic acids as non-ATP-competitive Polo-like kinase 1 (Plk1) inhibitors. |
Bioorg Med Chem Lett 25: 431-4 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25556098 | 36 | Selective CB2 receptor agonists. Part 1: the identification of novel ligands through computer-aided drug design (CADD) approaches. |
Bioorg Med Chem Lett 25: 575-80 (2015) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 25556097 | 70 | Synthesis, pharmacological evaluation and molecular modeling studies of triazole containing dopamine D3 receptor ligands. |
Bioorg Med Chem Lett 25: 519-23 (2015) | Washington University | 2D 3D TSV |
| 25556095 | 32 | A selective small molecule NOP (ORL-1 receptor) partial agonist for the treatment of anxiety. |
Bioorg Med Chem Lett 25: 602-6 (2015) | West Chester University | 2D 3D TSV |
| 25556092 | 85 | Selective CB2 receptor agonists. Part 2: Structure-activity relationship studies and optimization of proline-based compounds. |
Bioorg Med Chem Lett 25: 581-6 (2015) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
| 25556090 | 99 | Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility. |
Bioorg Med Chem Lett 25: 529-41 (2015) | Genentech Inc | 2D 3D TSV |
| 25555733 | 11 | Synthesis and biological evaluation of isoindoloisoquinolinone, pyroloisoquinolinone and benzoquinazolinone derivatives as poly(ADP-ribose) polymerase-1 inhibitors. |
Bioorg Med Chem 23: 488-98 (2015) | Pondicherry University | 2D 3D TSV |
| 25555732 | 52 | Discovery of triazolone derivatives as novel, potent stearoyl-CoA desaturase-1 (SCD1) inhibitors. |
Bioorg Med Chem 23: 455-65 (2015) | Xenon Pharmaceuticals Inc | 2D 3D TSV |
| 25555143 | 60 | Towards novel 5-HT7versus 5-HT1A receptor ligands among LCAPs with cyclic amino acid amide fragments: design, synthesis, and antidepressant properties. Part II. |
Eur J Med Chem 92: 202-11 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
| 25555141 | 4 | Structural exploration, synthesis and pharmacological evaluation of novel 5-benzylidenethiazolidine-2,4-dione derivatives as iNOS inhibitors against inflammatory diseases. |
Eur J Med Chem 92: 178-90 (2015) | Sichuan University | 2D 3D TSV |
| 25554922 | 9 | Novel pyrazole-5-carboxamide and pyrazole-pyrimidine derivatives: synthesis and anticancer activity. |
Eur J Med Chem 90: 889-96 (2015) | Anhui Medical University | 2D 3D TSV |
| 25554733 | 43 | Structure-activity relationship studies of SETD8 inhibitors. |
Medchemcomm 5: 1892-1898 (2014) | Icahn School of Medicine at Mount Sinai | 2D 3D TSV |
| 25553540 | 6 | 1,3,4-Thiadiazoles: a potent multi targeted pharmacological scaffold. |
Eur J Med Chem 92: 156-77 (2015) | University of Mississippi | 2D 3D TSV |
| 25549897 | 36 | Novel 3-(1H-indol-3-yl)-2-[3-(4-methoxyphenyl)ureido]propanamides as selective agonists of human formyl-peptide receptor 2. |
Bioorg Med Chem 23: 3913-24 (2015) | Universit£ degli Studi di Bari 'Aldo Moro' | 2D 3D TSV |
| 25549554 | 37 | Functionalized tetrahydro-1H-pyrido[4,3-b]indoles: a novel chemotype with Sirtuin 2 inhibitory activity. |
Eur J Med Chem 92: 145-55 (2015) | National University of Singapore | 2D 3D TSV |
| 25549552 | 36 | Synthesis and molecular modelling studies of 8-arylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amines as multitarget Ser/Thr kinases inhibitors. |
Eur J Med Chem 92: 124-34 (2015) | COBRA | 2D 3D TSV |
| 25549551 | 66 | Structure-based design of phthalimide derivatives as potential cyclooxygenase-2 (COX-2) inhibitors: anti-inflammatory and analgesic activities. |
Eur J Med Chem 92: 115-23 (2015) | King Saud University | 2D 3D TSV |
| 25544688 | 112 | Identification and optimization of Escherichia coli GlmU inhibitors: an in silico approach with validation thereof. |
Eur J Med Chem 92: 78-90 (2015) | CSIR-Indian Institute of Integrative Medicine | 2D 3D TSV |
| 25544687 | 60 | Synthesis and biological evaluation of compact, conformationally constrained bifunctional opioid agonist - neurokinin-1 antagonist peptidomimetics. |
Eur J Med Chem 92: 64-77 (2015) | Vrije Universiteit Brussel | 2D 3D TSV |
| 25542589 | 23 | Multifunctional coumarin derivatives: monoamine oxidase B (MAO-B) inhibition, anti-ß-amyloid (Aß) aggregation and metal chelation properties against Alzheimer's disease. |
Bioorg Med Chem Lett 25: 508-13 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25542588 | 80 | Further optimization of the M5 NAM MLPCN probe ML375: tactics and challenges. |
Bioorg Med Chem Lett 25: 690-4 (2015) | Vanderbilt University Medical Center | 2D 3D TSV |
| 25541201 | 55 | Design and synthesis of novel 2-pyrazoline-1-ethanone derivatives as selective MAO inhibitors. |
Bioorg Med Chem 23: 515-25 (2015) | Anhui Medical University | 2D 3D TSV |
| 25540906 | 83 | Identification and further development of potent TBK1 inhibitors. |
ACS Chem Biol 10: 289-98 (2015) | Technical University of Dortmund | 2D 3D TSV |
| 25537532 | 13 | Synthesis and biological evaluation of DAPY-DPEs hybrids as non-nucleoside inhibitors of HIV-1 reverse transcriptase. |
Bioorg Med Chem 23: 624-31 (2015) | Fudan University | 2D 3D TSV |
| 25537530 | 37 | Discovery and SAR study of c-Met kinase inhibitors bearing an 3-amino-benzo[d]isoxazole or 3-aminoindazole scaffold. |
Bioorg Med Chem 23: 564-78 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25537272 | 17 | Structure-based design, synthesis and biological evaluation of novelß-secretase inhibitors containing a pyrazole or thiazole moiety as the P3 ligand. |
Bioorg Med Chem Lett 25: 668-72 (2015) | Purdue University | 2D 3D TSV |
| 25537270 | 6 | Sulfonamides as multifunctional agents for Alzheimer's disease. |
Bioorg Med Chem Lett 25: 626-30 (2015) | University of Massachusetts Boston | 2D 3D TSV |
| 25536850 | 4 | Detecting a quasi-stable imine species on the reaction pathway of SHV-1 ß-lactamase and 6ß-(hydroxymethyl)penicillanic acid sulfone. |
Biochemistry 54: 734-43 (2015) | Case Western Reserve University | 2D 3D TSV |
| 25533402 | 76 | Sulfonamide inhibition studies of the¿-class carbonic anhydrase from the malaria pathogen Plasmodium falciparum. |
Bioorg Med Chem 23: 526-31 (2015) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25532905 | 10 | Potent and selective MAO-B inhibitory activity: amino- versus nitro-3-arylcoumarin derivatives. |
Bioorg Med Chem Lett 25: 642-8 (2015) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 25532755 | 46 | Design and synthesis of new tricyclic indoles as potent modulators of the S1P1 receptor. |
Bioorg Med Chem Lett 25: 659-63 (2015) | Arena Pharmaceuticals Inc | 2D 3D TSV |
| 25530833 | 30 | Prenyltransferase Inhibitors: Treating Human Ailments from Cancer to Parasitic Infections. |
Medchemcomm 4: 476-492 (2013) | University of Minnesota | 2D 3D TSV |
| 25529740 | 12 | Discovery of potent 1H-imidazo[4,5-b]pyridine-based c-Met kinase inhibitors via mechanism-directed structural optimization. |
Bioorg Med Chem Lett 25: 708-16 (2015) | Soochow University | 2D 3D TSV |
| 25529739 | 43 | Discovery and SAR study of 2-(4-pyridylamino)thieno[3,2-d]pyrimidin-4(3H)-ones as soluble and highly potent PDE7 inhibitors. |
Bioorg Med Chem Lett 25: 649-53 (2015) | Kyoto 607-8042 | 2D 3D TSV |
| 25529738 | 4 | 5Z-7-Oxozeaenol covalently binds to MAP2K7 at Cys218 in an unprecedented manner. |
Bioorg Med Chem Lett 25: 593-6 (2015) | Osaka Prefecture University | 2D 3D TSV |
| 25529737 | 2 | Microwave-assisted synthesis and biological evaluation of 3,4-diaryl maleic anhydride/N-substituted maleimide derivatives as combretastatin A-4 analogues. |
Bioorg Med Chem Lett 25: 631-4 (2015) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 25529736 | 30 | Synthesis and evaluation of C2-carbon-linked heterocyclic-5-hydroxy-6-oxo-dihydropyrimidine-4-carboxamides as HIV-1 integrase inhibitors. |
Bioorg Med Chem Lett 25: 717-20 (2015) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 25529735 | 27 | Synthesis and biological evaluation of picolinamides as potent inhibitors of 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1). |
Bioorg Med Chem Lett 25: 695-700 (2015) | Seoul National University | 2D 3D TSV |
| 25528720 | 12 | Triazinoindole analogs as potent inhibitors of a-glucosidase: synthesis, biological evaluation and molecular docking studies. |
Bioorg Chem 58: 81-7 (2015) | Hazara University | 2D 3D TSV |
| 25528334 | 18 | Improving selectivity preserving affinity: new piperidine-4-carboxamide derivatives as effective sigma-1-ligands. |
Eur J Med Chem 90: 797-808 (2015) | University of Trieste | 2D 3D TSV |
| 25528333 | 32 | Heteroatom insertion into 3,4-dihydro-1H-quinolin-2-ones leads to potent and selective inhibitors of human and rat aldosterone synthase. |
Eur J Med Chem 90: 788-96 (2015) | Saarland University | 2D 3D TSV |
| 25523211 | 18 | Identification of potent orally active factor Xa inhibitors based on conjugation strategy and application of predictable fragment recommender system. |
Bioorg Med Chem 23: 277-89 (2015) | Astellas Pharma Inc | 2D 3D TSV |
| 25522204 | 178 | Design, synthesis, biochemical, and antiviral evaluations of C6 benzyl and C6 biarylmethyl substituted 2-hydroxylisoquinoline-1,3-diones: dual inhibition against HIV reverse transcriptase-associated RNase H and polymerase with antiviral activities. |
J Med Chem 58: 651-64 (2015) | University of Minnesota | 2D 3D TSV |
| 25522110 | 21 | Structure-based design of bacterial nitric oxide synthase inhibitors. |
J Med Chem 58: 994-1004 (2015) | University of California | 2D 3D TSV |
| 25521963 | 38 | Synthesis and biological evaluation of 2-aryliminopyrrolidines as selective ligands for I1 imidazoline receptors: discovery of new sympatho-inhibitory hypotensive agents with potential beneficial effects in metabolic syndrome. |
J Med Chem 58: 878-87 (2015) | Universit£ de Strasbourg | 2D 3D TSV |
| 25517413 | 1 | Total synthesis of clavatadine A. |
J Nat Prod 78: 120-4 (2015) | Central Washington University | 2D 3D TSV |
| 25516794 | 71 | (7-Benzyloxy-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acids as S1P1 Functional Antagonists. |
ACS Med Chem Lett 5: 1334-9 (2014) | Arena Pharmaceuticals Inc | 2D 3D TSV |
| 25516793 | 1 | Crystal Structure of Sphingosine Kinase 1 with PF-543. |
ACS Med Chem Lett 5: 1329-33 (2014) | University of Oxford | 2D 3D TSV |
| 25516791 | 177 | Optimization of drug-like properties of nonsteroidal glucocorticoid mimetics and identification of a clinical candidate. |
ACS Med Chem Lett 5: 1318-23 (2014) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 25516790 | 37 | Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor. |
ACS Med Chem Lett 5: 1313-7 (2014) | Arena Pharmaceuticals Inc | 2D 3D TSV |
| 25516789 | 15 | Single Diastereomer of a Macrolactam Core Binds Specifically to Myeloid Cell Leukemia 1 (MCL1). |
ACS Med Chem Lett 5: 1308-12 (2014) | Institute | 2D 3D TSV |
| 25516785 | 26 | C5-Alkyl-2-methylurea-Substituted Pyridines as a New Class of Glucokinase Activators. |
ACS Med Chem Lett 5: 1284-9 (2014) | Amgen Inc | 2D 3D TSV |
| 25516784 | 12 | Exploration and pharmacokinetic profiling of phenylalanine based carbamates as novel substance p 1-7 analogues. |
ACS Med Chem Lett 5: 1272-7 (2014) | Uppsala University | 2D 3D TSV |
| 25516783 | 8 | Inhibition of O-GlcNAcase (OGA): A Potential Therapeutic Target to Treat Alzheimer's Disease. |
ACS Med Chem Lett 5: 1270-1 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25516782 | 8 | GnRH antagonists: the promise of treating sex-hormone-related diseases. |
ACS Med Chem Lett 5: 1268-9 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25515957 | 33 | Design, synthesis and evaluation of novel 5-phenylpyridin-2(1H)-one derivatives as potent reversible Bruton's tyrosine kinase inhibitors. |
Bioorg Med Chem 23: 348-64 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25515955 | 24 | Design, synthesis and structure-activity relationship studies of novel sirtuin 2 (SIRT2) inhibitors with a benzamide skeleton. |
Bioorg Med Chem 23: 328-39 (2015) | The University of Tokyo | 2D 3D TSV |
| 25514658 | 182 | Discovery of (R)-8-(1-(3,5-difluorophenylamino)ethyl)-N,N-dimethyl-2-morpholino-4-oxo-4H-chromene-6-carboxamide (AZD8186): a potent and selective inhibitor of PI3Kß and PI3Kd for the treatment of PTEN-deficient cancers. |
J Med Chem 58: 943-62 (2015) | AstraZeneca | 2D 3D TSV |
| 25513968 | 21 | Novel fluoroalkyl derivatives of selective kappa opioid receptor antagonist JDTic: Design, synthesis, pharmacology and molecular modeling studies. |
Eur J Med Chem 90: 742-50 (2015) | Universit£ de Caen Basse-Normandie | 2D 3D TSV |
| 25513712 | 11 | Repositioning proton pump inhibitors as anticancer drugs by targeting the thioesterase domain of human fatty acid synthase. |
J Med Chem 58: 778-84 (2015) | Indiana University School of Medicine | 2D 3D TSV |
| 25511999 | 3 | Design, Synthesis, and Biological Evaluation of Novel Benzoyl Diarylamine/ether Derivatives as Potential Anti-HIV-1 Agents. |
Chem Biol Drug Des 86: 333-43 (2015) | Shandong University | 2D 3D TSV |
| 25506816 | 42 | Monoamine oxidase inhibitory activity of 2-aryl-4H-chromen-4-ones. |
Bioorg Chem 58: 72-80 (2015) | Birla Institute of Technology | 2D 3D TSV |
| 25505942 | 8 | Diversity-Oriented Synthesis for Novel, Selective and Drug-like Inhibitors for a Phosphatase from Mycobacterium Tuberculosis. |
Medchemcomm 5: 1496-1499 (2014) | Indiana University School of Medicine | 2D 3D TSV |
| 25499929 | 3 | Synthesis and structure-activity relationships of pyridinyl-1H-1,2,3-triazolyldihydroisoxazoles as potent inhibitors of tubulin polymerization. |
Eur J Med Chem 90: 603-19 (2015) | CSIR-Indian Institute of Chemical Technology | 2D 3D TSV |
| 25499883 | 18 | Novel heterocyclic scaffolds of GW4064 as farnesoid X receptor agonists. |
Bioorg Med Chem Lett 25: 280-4 (2014) | GlaxoSmithKline | 2D 3D TSV |
| 25499880 | 51 | Identification of a highly potent and selective CB2 agonist, RQ-00202730, for the treatment of irritable bowel syndrome. |
Bioorg Med Chem Lett 25: 236-40 (2014) | RaQualia Pharma Inc | 2D 3D TSV |
| 25499438 | 17 | Identification of N-{[6-chloro-4-(2,6-dimethoxyphenyl)quinazolin-2-yl]carbonyl}-l-leucine (NTRC-808), a novel nonpeptide chemotype selective for the neurotensin receptor type 2. |
Bioorg Med Chem Lett 25: 292-6 (2014) | Research Triangle Institute | 2D 3D TSV |
| 25499431 | 4 | Investigating the binding interactions of the anti-Alzheimer's drug donepezil with CYP3A4 and P-glycoprotein. |
Bioorg Med Chem Lett 25: 297-301 (2014) | University of Waterloo | 2D 3D TSV |
| 25497965 | 70 | Synthesis and biological evaluation of novel chiral diazepine derivatives as bombesin receptor subtype-3 (BRS-3) agonists incorporating an antedrug approach. |
Bioorg Med Chem 23: 89-104 (2014) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 25497963 | 19 | Bioactive constituents from the green alga Caulerpa racemosa. |
Bioorg Med Chem 23: 38-45 (2014) | Nanchang University | 2D 3D TSV |
| 25497490 | 30 | 1,2,4-triazolo[1,5-a]quinoxaline derivatives and their simplified analogues as adenosine A3 receptor antagonists. Synthesis, structure-affinity relationships and molecular modeling studies. |
Bioorg Med Chem 23: 9-21 (2014) | Universit£ di Firenze | 2D 3D TSV |
| 25497216 | 99 | Rodent selectivity of piperidine-4-yl-1H-indoles, a series of CC chemokine receptor-3 (CCR3) antagonists: insights from a receptor model. |
Bioorg Med Chem Lett 25: 229-35 (2014) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
| 25497132 | 34 | Design, synthesis and biological evaluation of a class of bioisosteric oximes of the novel dual peroxisome proliferator-activated receptora/¿ ligand LT175. |
Eur J Med Chem 90: 583-94 (2015) | Universit£ degli Studi di Bari 'Aldo Moro' | 2D 3D TSV |
| 25496807 | 1 | Synthesis, structural characterization and effect on human granulocyte intracellular cAMP levels of abscisic acid analogs. |
Bioorg Med Chem 23: 22-32 (2014) | University of Genoa | 2D 3D TSV |
| 25496041 | 43 | Design of chemically stable, potent, and efficacious MDM2 inhibitors that exploit the retro-mannich ring-opening-cyclization reaction mechanism in spiro-oxindoles. |
J Med Chem 57: 10486-98 (2014) | University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine | 2D 3D TSV |
| 25495612 | 10 | (±)-Torreyunlignans A-D, rare 8-9' linked neolignan enantiomers as phosphodiesterase-9A inhibitors from Torreya yunnanensis. |
J Nat Prod 77: 2651-7 (2014) | Sun Yat-sen University | 2D 3D TSV |
| 25495129 | 34 | Identification of a novel orally bioavailable phosphodiesterase 10A (PDE10A) inhibitor with efficacy in animal models of schizophrenia. |
J Med Chem 58: 978-93 (2015) | Janssen Pharmaceutica NV | 2D 3D TSV |
| 25494650 | 8 | CNS drug design: balancing physicochemical properties for optimal brain exposure. |
J Med Chem 58: 2584-608 (2015) | Eli Lilly and Company | 2D 3D TSV |
| 25494538 | 9 | Aza-acyclic nucleoside phosphonates containing a second phosphonate group as inhibitors of the human, Plasmodium falciparum and vivax 6-oxopurine phosphoribosyltransferases and their prodrugs as antimalarial agents. |
J Med Chem 58: 827-46 (2015) | The University of Queensland | 2D 3D TSV |
| 25494040 | 2 | New compstatin peptides containing N-terminal extensions and non-natural amino acids exhibit potent complement inhibition and improved solubility characteristics. |
J Med Chem 58: 814-26 (2015) | University of California | 2D 3D TSV |
| 25491112 | 19 | Biological evaluation and structural insights for design of subtype-selective peroxisome proliferator activated receptor-a (PPAR-a) agonists. |
Bioorg Med Chem Lett 25: 270-5 (2014) | National Institute of Pharmaceutical Education and Research (NIPER) | 2D 3D TSV |
| 25490760 | 45 | a2-adrenoceptor antagonists: synthesis, pharmacological evaluation, and molecular modeling investigation of pyridinoguanidine, pyridino-2-aminoimidazoline and their derivatives. |
J Med Chem 58: 963-77 (2015) | Trinity College | 2D 3D TSV |
| 25490054 | 92 | Synthesis and pharmacological evaluation of dual acting ligands targeting the adenosine A2A and dopamine D2 receptors for the potential treatment of Parkinson's disease. |
J Med Chem 58: 718-38 (2015) | Monash University (Parkville Campus) | 2D 3D TSV |
| 25489882 | 63 | Novel 2,4-disubstituted pyrimidines as potent, selective, and cell-permeable inhibitors of neuronal nitric oxide synthase. |
J Med Chem 58: 1067-88 (2015) | Northwestern University | 2D 3D TSV |
| 25488845 | 4 | Radiosynthesis and ex vivo evaluation of [(18)F]-(S)-3-(6-(3-fluoropropoxy)benzo[d]isoxazol-3-yl)-5-(methoxymethyl)oxazolidin-2-one for imaging MAO-B with PET. |
Bioorg Med Chem Lett 25: 288-91 (2014) | University of Toronto | 2D 3D TSV |
| 25488844 | 154 | Discovery of 1a,2,5,5a-tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalen-4-carboxamides as potent and selective CB2 receptor agonists. |
Bioorg Med Chem Lett 25: 322-6 (2014) | Arena Pharmaceuticals | 2D 3D TSV |
| 25488842 | 8 | Synthesis and biological activity of 5-(4-methoxyphenyl)-oxazole derivatives. |
Bioorg Med Chem Lett 25: 313-6 (2014) | Kitasato University | 2D 3D TSV |
| 25487422 | 93 | Ligand-based virtual screening identifies a family of selective cannabinoid receptor 2 agonists. |
Bioorg Med Chem 23: 241-63 (2014) | University of Oxford | 2D 3D TSV |
| 25486447 | 43 | Structure guided lead generation for M. tuberculosis thymidylate kinase (Mtb TMK): discovery of 3-cyanopyridone and 1,6-naphthyridin-2-one as potent inhibitors. |
J Med Chem 58: 753-66 (2015) | AstraZeneca | 2D 3D TSV |
| 25486424 | 30 | Synthesis, biological activity and molecular modeling of new biphenylic carboxamides as potent and selective CB2 receptor ligands. |
Eur J Med Chem 90: 526-36 (2015) | Universit£ di Pisa | 2D 3D TSV |
| 25481394 | 6 | Synthesis and biological evaluation of phenoxyacetic acid derivatives as novel free fatty acid receptor 1 agonists. |
Bioorg Med Chem 23: 132-40 (2014) | China Pharmaceutical University | 2D 3D TSV |
| 25479772 | 1 | Enantioselective induction of SIRT1 gene by syringaresinol from Panax ginseng berry and Acanthopanax senticosus Harms stem. |
Bioorg Med Chem Lett 25: 307-9 (2014) | Yonsei University | 2D 3D TSV |
| 25479567 | 50 | Recent advances in the discovery of small molecule inhibitors of interleukin-1 receptor-associated kinase 4 (IRAK4) as a therapeutic target for inflammation and oncology disorders. |
J Med Chem 58: 96-110 (2015) | Nimbus Discovery | 2D 3D TSV |
| 25478907 | 29 | Rational design of partial agonists for the muscarinic m1 acetylcholine receptor. |
J Med Chem 58: 560-76 (2015) | University of W£rzburg | 2D 3D TSV |
| 25475894 | 68 | Tetra-substituted pyridinylimidazoles as dual inhibitors of p38a mitogen-activated protein kinase and c-Jun N-terminal kinase 3 for potential treatment of neurodegenerative diseases. |
J Med Chem 58: 443-56 (2015) | Eberhard Karls Universit£t T£bingen | 2D 3D TSV |
| 25474526 | 92 | Discovery of 2-(cyclohexylmethylamino)pyrimidines as a new class of reversible valosine containing protein inhibitors. |
J Med Chem 57: 10443-54 (2014) | Nerviano Medical Sciences srl | 2D 3D TSV |
| 25474504 | 21 | Synthesis, in vitro evaluation and cocrystal structure of 4-oxo-[1]benzopyrano[4,3-c]pyrazole Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase (CpIMPDH) inhibitors. |
J Med Chem 57: 10544-50 (2014) | University of Houston | 2D 3D TSV |
| 25474320 | 10 | Nintedanib: from discovery to the clinic. |
J Med Chem 58: 1053-63 (2015) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
| 25470204 | 21 | Peptide inhibitors of the Escherichia coli DsbA oxidative machinery essential for bacterial virulence. |
J Med Chem 58: 577-87 (2015) | University of Queensland | 2D 3D TSV |
| 25470070 | 81 | Probing the carboxyester side chain in controlled deactivation (-)-d(8)-tetrahydrocannabinols. |
J Med Chem 58: 665-81 (2015) | Northeastern University | 2D 3D TSV |
| 25469771 | 37 | Combining X-ray crystallography and molecular modeling toward the optimization of pyrazolo[3,4-d]pyrimidines as potent c-Src inhibitors active in vivo against neuroblastoma. |
J Med Chem 58: 347-61 (2015) | Universit£ degli Studi di Siena Via Aldo Moro 2 | 2D 3D TSV |
| 25468044 | 21 | Identification of novel 4-anilinoquinazoline derivatives as potent EGFR inhibitors both under normoxia and hypoxia. |
Bioorg Med Chem 22: 6796-805 (2015) | TBA | 2D 3D TSV |
| 25468040 | 77 | Inhibition studies of new ureido-substituted sulfonamides incorporating a GABA moiety against human carbonic anhydrase isoforms I-XIV. |
Bioorg Med Chem 22: 6768-75 (2015) | TBA | 2D 3D TSV |
| 25468038 | 8 | Design, synthesis, anticancer activity and docking studies of novel 4-morpholino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine derivatives as mTOR inhibitors. |
Bioorg Med Chem 22: 6746-54 (2015) | TBA | 2D 3D TSV |
| 25468037 | 76 | Synthesis and evaluation of N-acyl-substituted 1,2-benzisothiazol-3-one derivatives as caspase-3 inhibitors. |
Bioorg Med Chem 22: 6735-45 (2015) | TBA | 2D 3D TSV |
| 25468036 | 43 | Ether modifications to 1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine (SA4503): effects on binding affinity and selectivity for sigma receptors and monoamine transporters. |
Bioorg Med Chem 23: 222-30 (2014) | University of Missouri | 2D 3D TSV |
| 25468035 | 17 | Synthesis and biological evaluation of pyridinone analogues as novel potent HIV-1 NNRTIs. |
Bioorg Med Chem 23: 149-59 (2014) | Peking University | 2D 3D TSV |
| 25468034 | 33 | Synthesis of aminoalkyl-substituted aurone derivatives as acetylcholinesterase inhibitors. |
Bioorg Med Chem 23: 231-40 (2014) | Kyung Hee University | 2D 3D TSV |
| 25467164 | 20 | Inhibition of FAAH, TRPV1, and COX2 by NSAID-serotonin conjugates. |
Bioorg Med Chem Lett 24: 5695-8 (2014) | Roseman University of Health Sciences | 2D 3D TSV |
| 25467161 | 43 | Identification of 3,6-disubstituted dihydropyrones as inhibitors of human lactate dehydrogenase. |
Bioorg Med Chem Lett 24: 5683-7 (2014) | Genentech | 2D 3D TSV |
| 25467150 | 5 | Novel benzothiazinones (BTOs) as allosteric modulator or substrate competitive inhibitor of glycogen synthase kinase 3ß (GSK-3ß) with cellular activity of promoting glucose uptake. |
Bioorg Med Chem Lett 24: 5639-43 (2014) | Fudan University | 2D 3D TSV |
| 25466710 | 14 | Finding the perfect spot for fluorine: improving potency up to 40-fold during a rational fluorine scan of a Bruton's Tyrosine Kinase (BTK) inhibitor scaffold. |
Bioorg Med Chem Lett 25: 367-71 (2014) | Hoffmann-La Roche Inc | 2D 3D TSV |
| 25466197 | 32 | Novel azoles as potent and selective cannabinoid CB2 receptor agonists. |
Bioorg Med Chem Lett 25: 88-91 (2015) | Ipsen Innovation | 2D 3D TSV |
| 25466195 | 41 | Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. |
Bioorg Med Chem Lett 25: 75-82 (2015) | Genentech | 2D 3D TSV |
| 25466194 | 34 | a-Ketoamino acid ester derivatives as promising MAO inhibitors. |
Bioorg Med Chem Lett 25: 70-4 (2015) | King Saud University | 2D 3D TSV |
| 25466191 | 17 | Dibenzazepines and dibenzoxazepines as sodium channel blockers. |
Bioorg Med Chem Lett 25: 43-7 (2015) | Purdue Pharma LP | 2D 3D TSV |
| 25466188 | 21 | Phosphoinositide-3-kinase inhibitors: evaluation of substituted alcohols as replacements for the piperazine sulfonamide portion of AMG 511. |
Bioorg Med Chem Lett 24: 5630-4 (2014) | Amgen Inc | 2D 3D TSV |
| 25466185 | 15 | Synthesis of the novel elemonic acid derivatives as Pin1 inhibitors. |
Bioorg Med Chem Lett 24: 5612-5 (2014) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 25466177 | 24 | The SAR development of substituted purine derivatives as selective CB2 agonists for the treatment of chronic pain. |
Bioorg Med Chem Lett 24: 5572-5 (2014) | Eli Lilly and Company | 2D 3D TSV |
| 25466176 | 7 | ß-Keto andß-hydroxyphosphonate analogs of biotin-5'-AMP are inhibitors of holocarboxylase synthetase. |
Bioorg Med Chem Lett 24: 5568-71 (2014) | University of Nebraska-Lincoln | 2D 3D TSV |
| 25466173 | 33 | Further evaluation of novel structural modifications to scaffolds that engender PLD isoform selective inhibition. |
Bioorg Med Chem Lett 24: 5553-7 (2014) | Vanderbilt University | 2D 3D TSV |
| 25464886 | 25 | Discovery of novel Bcr-Abl inhibitors targeting myristoyl pocket and ATP site. |
Bioorg Med Chem 22: 6876-84 (2014) | Xi'an Jiaotong University | 2D 3D TSV |
| 25464883 | 11 | Synthesis, in vitro and in vivo studies, and molecular modeling of N-alkylated dextromethorphan derivatives as non-competitive inhibitors of ?3?4 nicotinic acetylcholine receptor. |
Bioorg Med Chem 22: 6846-56 (2014) | Medical University of Lublin | 2D 3D TSV |
| 25462626 | 6 | Organocatalyzed solvent free an efficient novel synthesis of 2,4,5-trisubstituted imidazoles for a-glucosidase inhibition to treat diabetes. |
Bioorg Chem 58: 65-71 (2015) | COMSATS Institute of Information Technology | 2D 3D TSV |
| 25462625 | 58 | Salicylanilide diethyl phosphates as cholinesterases inhibitors. |
Bioorg Chem 58: 48-52 (2015) | Charles University in Prague | 2D 3D TSV |
| 25462282 | 19 | Design, synthesis and biological evaluation of 6-(nitroimidazole-1H-alkyloxyl)-4-anilinoquinazolines as efficient EGFR inhibitors exerting cytotoxic effects both under normoxia and hypoxia. |
Eur J Med Chem 89: 826-34 (2014) | Zhejiang University | 2D 3D TSV |
| 25462281 | 17 | Structural development studies of PPARs ligands based on tyrosine scaffold. |
Eur J Med Chem 89: 817-25 (2014) | Universit£"G. d'Annunzio" | 2D 3D TSV |
| 25462276 | 39 | Deconstruction of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline moiety to separate P-glycoprotein (P-gp) activity froms2 receptor affinity in mixed P-gp/s2 receptor agents. |
Eur J Med Chem 89: 691-700 (2014) | Universit£ degli Studi di Bari Aldo Moro | 2D 3D TSV |
| 25462275 | 2 | Prospects of an alternative treatment against Trypanosoma cruzi based on abietic acid derivatives show promising results in Balb/c mouse model. |
Eur J Med Chem 89: 683-90 (2014) | University of Granada | 2D 3D TSV |
| 25462271 | 33 | Development of 3-hydroxycinnamamide-based HDAC inhibitors with potent in vitro and in vivo anti-tumor activity. |
Eur J Med Chem 89: 628-37 (2014) | Shandong University | 2D 3D TSV |
| 25462269 | 17 | From mixed sigma-2 receptor/P-glycoprotein targeting agents to selective P-glycoprotein modulators: small structural changes address the mechanism of interaction at the efflux pump. |
Eur J Med Chem 89: 606-15 (2014) | Universit£ degli Studi di Bari Aldo Moro | 2D 3D TSV |
| 25462268 | 44 | 1-Phenylsulfinyl-3-(pyridin-3-yl)naphthalen-2-ols: a new class of potent and selective aldosterone synthase inhibitors. |
Eur J Med Chem 89: 597-605 (2014) | Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
| 25462267 | 39 | Design, synthesis and biological evaluation of bis-aryl ureas and amides based on 2-amino-3-purinylpyridine scaffold as DFG-out B-Raf kinase inhibitors. |
Eur J Med Chem 89: 581-96 (2014) | China Pharmaceutical University | 2D 3D TSV |
| 25462265 | 2 | Design, synthesis and in vitro antitumor activity of novel N-substituted-4-phenyl/benzylphthalazin-1-ones. |
Eur J Med Chem 89: 549-60 (2014) | Egyptian Russian University | 2D 3D TSV |
| 25462262 | 98 | Development and evaluation of ST-1829 based on 5-benzylidene-2-phenylthiazolones as promising agent for anti-leukotriene therapy. |
Eur J Med Chem 89: 503-23 (2014) | Goethe-University Frankfurt | 2D 3D TSV |
| 25462257 | 3 | A review on recent developments of indole-containing antiviral agents. |
Eur J Med Chem 89: 421-41 (2014) | Central China Normal University | 2D 3D TSV |
| 25462250 | 22 | Inhibition of pseudolysin and thermolysin by hydroxamate-based MMP inhibitors. |
Eur J Med Chem 89: 340-8 (2015) | UiT - The Arctic University of Norway | 2D 3D TSV |
| 25462247 | 20 | In vitro and in vivo characterization of a benzofuran derivative, a potential anticancer agent, as a novel Aurora B kinase inhibitor. |
Eur J Med Chem 89: 310-9 (2014) | Fudan University | 2D 3D TSV |
| 25462246 | 20 | Synthesis and evaluation of new indole-based chalcones as potential antiinflammatory agents. |
Eur J Med Chem 89: 304-9 (2014) | Anadolu University | 2D 3D TSV |
| 25462245 | 27 | New tetracyclic tacrine analogs containing pyrano[2,3-c]pyrazole: efficient synthesis, biological assessment and docking simulation study. |
Eur J Med Chem 89: 296-303 (2014) | Tehran University of Medical Sciences | 2D 3D TSV |
| 25462240 | 26 | Carboline- and phenothiazine-derivated heterocycles as potent SIGMA-1 protein ligands. |
Eur J Med Chem 89: 198-206 (2014) | University of Lille | 2D 3D TSV |
| 25462239 | 12 | Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational study. |
Eur J Med Chem 89: 189-97 (2014) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 25462236 | 75 | Synthesis and structure--activity relationship of new cytotoxic agents targeting human glutathione-S-transferases. |
Eur J Med Chem 89: 156-71 (2014) | Sapienza University of Rome | 2D 3D TSV |
| 25462231 | 85 | Discovery of new 7-substituted-4-imidazolylmethyl coumarins and 4'-substituted-2-imidazolyl acetophenones open analogues as potent and selective inhibitors of steroid-11ß-hydroxylase. |
Eur J Med Chem 89: 106-14 (2014) | Universit£ degli Studi di Bari"Aldo Moro" | 2D 3D TSV |
| 25462230 | 80 | In silico design of novel 2H-chromen-2-one derivatives as potent and selective MAO-B inhibitors. |
Eur J Med Chem 89: 98-105 (2014) | Universit£ degli Studi di Bari"Aldo Moro" | 2D 3D TSV |
| 25462223 | 27 | Further studies on pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as potent and selective human A1 adenosine receptor antagonists. |
Eur J Med Chem 89: 32-41 (2014) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25461892 | 25 | Piperazine derivatives: synthesis, inhibition of the Mycobacterium tuberculosis enoyl-acyl carrier protein reductase and SAR studies. |
Eur J Med Chem 90: 436-47 (2015) | Pontif£cia Universidade Cat£lica do Rio Grande do Sul | 2D 3D TSV |
| 25461330 | 28 | Discovery of novel indole derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase. |
Eur J Med Chem 90: 394-405 (2015) | Chinese Academy of Medical Sciences & Peking Union Medical College | 2D 3D TSV |
| 25461329 | 9 | Bioactive benzofuran derivatives: moracins A-Z in medicinal chemistry. |
Eur J Med Chem 90: 379-93 (2015) | Dongguk University-Seoul | 2D 3D TSV |
| 25461326 | 20 | Conformationally-locked N-glycosides: exploiting long-range non-glycone interactions in the design of pharmacological chaperones for Gaucher disease. |
Eur J Med Chem 90: 258-66 (2015) | Universitat Rovira i Virgili | 2D 3D TSV |
| 25461324 | 18 | Novel fatty acid binding protein 4 (FABP4) inhibitors: virtual screening, synthesis and crystal structure determination. |
Eur J Med Chem 90: 241-50 (2015) | Chinese Academy of Sciences | 2D 3D TSV |
| 25461320 | 46 | Synthesis and biological evaluation of new pyrazol-4-ylpyrimidine derivatives as potential ROS1 kinase inhibitors. |
Eur J Med Chem 90: 195-208 (2015) | Korea University of Science and Technology | 2D 3D TSV |
| 25461318 | 8 | Design, synthesis and evaluation of novel 2-(1H-imidazol-2-yl) pyridine Sorafenib derivatives as potential BRAF inhibitors and anti-tumor agents. |
Eur J Med Chem 90: 170-83 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25461317 | 7 | Synthetic approaches, functionalization and therapeutic potential of quinazoline and quinazolinone skeletons: the advances continue. |
Eur J Med Chem 90: 124-69 (2015) | University of Nottingham | 2D 3D TSV |
| 25461308 | 64 | Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity. Part 4. |
Eur J Med Chem 90: 21-32 (2015) | Medical University of Warsaw | 2D 3D TSV |
| 25461306 | 16 | Haloperidol metabolite II prodrug: asymmetric synthesis and biological evaluation on rat C6 glioma cells. |
Eur J Med Chem 90: 1-9 (2015) | Universit£ degli Studi di Chieti Gabriele D'Annunzio | 2D 3D TSV |
| 25459661 | 19 | Inhibition of AMP deaminase activity does not improve glucose control in rodent models of insulin resistance or diabetes. |
Chem Biol 21: 1486-96 (2014) | AstraZeneca R&D | 2D 3D TSV |
| 25458601 | 37 | Discovery of potent KIFC1 inhibitors using a method of integrated high-throughput synthesis and screening. |
J Med Chem 57: 9958-70 (2014) | AstraZeneca | 2D 3D TSV |
| 25458499 | 78 | Rational design of novel CYP2A6 inhibitors. |
Bioorg Med Chem 22: 6655-64 (2015) | University of Eastern Finland | 2D 3D TSV |
| 25458498 | 29 | Synthesis, GluN2B affinity and selectivity of benzo[7]annulen-7-amines. |
Bioorg Med Chem 22: 6638-46 (2015) | Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster | 2D 3D TSV |
| 25457126 | 55 | (R)-3-amino-1-((3aS,7aS)-octahydro-1H-indol-1-yl)-4-(2,4,5-trifluorophenyl)butan-1-one derivatives as potent inhibitors of dipeptidyl peptidase-4: design, synthesis, biological evaluation, and molecular modeling. |
Bioorg Med Chem 22: 6684-93 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25456388 | 16 | Oseltamivir hydroxamate and acyl sulfonamide derivatives as influenza neuraminidase inhibitors. |
Bioorg Med Chem 22: 6647-54 (2015) | TBA | 2D 3D TSV |
| 25456387 | 51 | Design, synthesis and biological evaluation of FLT3 covalent inhibitors with a resorcylic acid core. |
Bioorg Med Chem 22: 6625-37 (2015) | TBA | 2D 3D TSV |
| 25456385 | 36 | Vinylated linear P2 pyrimidinyloxyphenylglycine based inhibitors of the HCV NS3/4A protease and corresponding macrocycles. |
Bioorg Med Chem 22: 6595-615 (2015) | TBA | 2D 3D TSV |
| 25456384 | 9 | Structural modifications of coumarin derivatives: Determination of antioxidant and lipoxygenase (LOX) inhibitory activity. |
Bioorg Med Chem 22: 6586-94 (2015) | TBA | 2D 3D TSV |
| 25456383 | 113 | Synthesis and preliminary biological evaluation of potent and selective 2-(3-alkoxy-1-azetidinyl) quinolines as novel PDE10A inhibitors with improved solubility. |
Bioorg Med Chem 22: 6570-85 (2015) | TBA | 2D 3D TSV |
| 25456085 | 4 | Synthesis and biological evaluation of novel oxindole-based RTK inhibitors as anti-cancer agents. |
Bioorg Med Chem 22: 6953-60 (2014) | Wenzhou Medical University | 2D 3D TSV |
| 25456084 | 100 | 4-Functionalized 1,3-diarylpyrazoles bearing 6-aminosulfonylbenzothiazole moiety as potent inhibitors of carbonic anhydrase isoforms hCA I, II, IX and XII. |
Bioorg Med Chem 22: 6945-52 (2014) | Kurukshetra University | 2D 3D TSV |
| 25456083 | 1 | Targeting (cellular) lysosomal acid ceramidase by B13: design, synthesis and evaluation of novel DMG-B13 ester prodrugs. |
Bioorg Med Chem 22: 6933-44 (2014) | Medical University of South Carolina | 2D 3D TSV |
| 25456079 | 18 | Discovery of novel tetrahydroisoquinoline derivatives as orally active N-type calcium channel blockers with high selectivity for hERG potassium channels. |
Bioorg Med Chem 22: 6899-907 (2014) | Astellas Pharma Inc | 2D 3D TSV |
| 25456076 | 29 | An efficient synthesis and biological screening of benzofuran and benzo[d]isothiazole derivatives for Mycobacterium tuberculosis DNA GyrB inhibition. |
Bioorg Med Chem 22: 6552-63 (2015) | TBA | 2D 3D TSV |
| 25456075 | 16 | Cyclic side-chain-linked opioid analogs utilizing cis- and trans-4-aminocyclohexyl-D-alanine. |
Bioorg Med Chem 22: 6545-51 (2015) | TBA | 2D 3D TSV |
| 25455497 | 20 | Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK). |
Bioorg Med Chem Lett 24: 5818-23 (2014) | Evotec UK Ltd | 2D 3D TSV |
| 25455494 | 172 | Effect of acyclic monoterpene alcohols and their derivatives on TRP channels. |
Bioorg Med Chem Lett 24: 5507-11 (2015) | Sapienza University of Rome | 2D 3D TSV |
| 25455492 | 22 | Aurones as histone deacetylase inhibitors: identification of key features. |
Bioorg Med Chem Lett 24: 5497-501 (2015) | University of Geneva | 2D 3D TSV |
| 25455491 | 32 | 2-Aminopyrimidin-4(1H)-one as the novel bioisostere of urea: discovery of novel and potent CXCR2 antagonists. |
Bioorg Med Chem Lett 24: 5493-6 (2015) | GlaxoSmithKline | 2D 3D TSV |
| 25455490 | 21 | The effect of pK(a) on pyrimidine/pyridine-derived histamine H4 ligands. |
Bioorg Med Chem Lett 24: 5489-92 (2015) | Janssen Research and Development LLC | 2D 3D TSV |
| 25455488 | 46 | Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists. |
Bioorg Med Chem Lett 24: 5478-83 (2015) | Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
| 25455487 | 4 | Serendipitous discovery of 2-((phenylsulfonyl)methyl)-thieno[3,2-d]pyrimidine derivatives as novel HIV-1 replication inhibitors. |
Bioorg Med Chem Lett 24: 5473-7 (2015) | Institut Pasteur Korea | 2D 3D TSV |
| 25455484 | 26 | The discovery of avanafil for the treatment of erectile dysfunction: a novel pyrimidine-5-carboxamide derivative as a potent and highly selective phosphodiesterase 5 inhibitor. |
Bioorg Med Chem Lett 24: 5460-5 (2015) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 25455483 | 61 | Discovery of potent iminoheterocycle BACE1 inhibitors. |
Bioorg Med Chem Lett 24: 5455-9 (2015) | Merck Research Laboratories | 2D 3D TSV |
| 25455183 | 1 | Synthesis of linear and cyclic guazatine derivatives endowed with antibacterial activity. |
Bioorg Med Chem Lett 24: 5525-9 (2014) | University of Siena | 2D 3D TSV |
| 25455182 | 52 | Identification of a novel 2-pyridyl-benzensulfonamide derivative, RQ-00203078, as a selective and orally active TRPM8 antagonist. |
Bioorg Med Chem Lett 24: 5364-8 (2014) | RaQualia Pharma Inc | 2D 3D TSV |
| 25455147 | 4 | Anithiactins A-C, modified 2-phenylthiazoles from a mudflat-derived Streptomyces sp. |
J Nat Prod 77: 2716-9 (2014) | Seoul National University | 2D 3D TSV |
| 25454794 | 1 | Iterative conversion of cyclin binding groove peptides into druglike CDK inhibitors with antitumor activity. |
J Med Chem 58: 433-42 (2015) | University of South Carolina | 2D 3D TSV |
| 25454499 | 6 | Design and nuclear magnetic resonance (NMR) structure determination of the second extracellular immunoglobulin tyrosine kinase A (TrkAIg2) domain construct for binding site elucidation in drug discovery. |
J Med Chem 58: 767-77 (2015) | Southmead Hospital | 2D 3D TSV |
| 25454273 | 52 | Anilinotriazoles as potent gamma secretase modulators. |
Bioorg Med Chem Lett 24: 5805-13 (2014) | Janssen Pharmaceutica NV | 2D 3D TSV |
| 25454272 | 15 | Dilazep analogues for the study of equilibrative nucleoside transporters 1 and 2 (ENT1 and ENT2). |
Bioorg Med Chem Lett 24: 5801-4 (2014) | University of Tennessee Health Science Center | 2D 3D TSV |
| 25454270 | 82 | Histone deacetylase inhibitors derived from 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine and related heterocycles selective for the HDAC6 isoform. |
Bioorg Med Chem Lett 24: 5450-4 (2015) | TBA | 2D 3D TSV |
| 25454267 | 5 | Synthesis and antiprotozoal activity of oligomethylene- and p-phenylene-bis(methylene)-linked bis(+)-huprines. |
Bioorg Med Chem Lett 24: 5435-8 (2015) | TBA | 2D 3D TSV |
| 25453820 | 2 | Tanzawaic acid derivatives from a marine isolate of Penicillium sp. (SF-6013) with anti-inflammatory and PTP1B inhibitory activities. |
Bioorg Med Chem Lett 24: 5787-91 (2014) | Wonkwang University | 2D 3D TSV |
| 25453818 | 21 | Novel indolizine derivatives with unprecedented inhibitory activity on human farnesyltransferase. |
Bioorg Med Chem Lett 24: 5777-81 (2014) | Alexandru Ioan Cuza University | 2D 3D TSV |
| 25453817 | 130 | A reversed sulfonamide series of selective RORc inverse agonists. |
Bioorg Med Chem Lett 24: 5769-76 (2014) | Argenta Discovery Ltd | 2D 3D TSV |
| 25453816 | 27 | Monocyclic 4-amino-6-(phenylamino)-1,3,5-triazines as inhibitors of human DNA topoisomerase IIa. |
Bioorg Med Chem Lett 24: 5762-8 (2014) | National Institute of Chemistry | 2D 3D TSV |
| 25453812 | 21 | New efficient imidazolium aldoxime reactivators for nerve agent-inhibited acetylcholinesterase. |
Bioorg Med Chem Lett 24: 5743-8 (2014) | Institute of Pharmacology and Toxicology | 2D 3D TSV |
| 25453808 | 101 | Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors. |
Bioorg Med Chem Lett 24: 5721-6 (2014) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25453807 | 13 | A simple, general approach of allosteric coagulation enzyme inhibition through monosulfated hydrophobic scaffolds. |
Bioorg Med Chem Lett 24: 5716-20 (2014) | Virginia Commonwealth University | 2D 3D TSV |
| 25453805 | 18 | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. |
Bioorg Med Chem Lett 24: 5704-9 (2014) | Genentech Inc | 2D 3D TSV |
| 25453800 | 3 | Synthesis and PGE2 production inhibition of s-triazine derivatives as a novel scaffold in RAW 264.7 macrophage cells. |
Bioorg Med Chem Lett 24: 5418-22 (2015) | TBA | 2D 3D TSV |
| 25453799 | 1 | Design, synthesis and anticancer evaluation of tetrahydro-ß-carboline-hydantoin hybrids. |
Bioorg Med Chem Lett 24: 5413-7 (2015) | TBA | 2D 3D TSV |
| 25453795 | 6 | Lithocarpic acids O-S, five homo-cycloartane derivatives from the cupules of Lithocarpus polystachyus. |
Bioorg Med Chem Lett 24: 5395-8 (2015) | TBA | 2D 3D TSV |
| 25453793 | 1 | Protective effects of aloe-emodin on scopolamine-induced memory impairment in mice and H2O2-induced cytotoxicity in PC12 cells. |
Bioorg Med Chem Lett 24: 5385-9 (2015) | TBA | 2D 3D TSV |
| 25453791 | 5 | Design and synthesis of novel small molecule CCR2 antagonists: evaluation of 4-aminopiperidine derivatives. |
Bioorg Med Chem Lett 24: 5377-80 (2015) | TBA | 2D 3D TSV |
| 25453512 | 3 | Design, synthesis, biological evaluation, and molecular docking of novel benzopyran and phenylpyrazole derivatives as Akt inhibitors. |
Chem Biol Drug Des 85: 770-9 (2015) | Zhejiang University | 2D 3D TSV |
| 25452003 | 4 | ¿F508-CFTR correctors: synthesis and evaluation of thiazole-tethered imidazolones, oxazoles, oxadiazoles, and thiadiazoles. |
Bioorg Med Chem Lett 24: 5840-4 (2014) | Wuhan University of Science and Technology | 2D 3D TSV |
| 25452002 | 9 | A simple and widely applicable hit validation strategy for protein-protein interaction inhibitors based on a quantitative ligand displacement assay. |
Bioorg Med Chem Lett 24: 5836-9 (2014) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25452001 | 19 | Synthesis and SAR of thieno[3,2-b]pyridinyl urea derivatives as urotensin-II receptor antagonists. |
Bioorg Med Chem Lett 24: 5832-5 (2014) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 25451999 | 5 | Amine-linked diquercitols as newa-glucosidase inhibitors. |
Bioorg Med Chem Lett 24: 5530-3 (2014) | Chulalongkorn University | 2D 3D TSV |
| 25444084 | 40 | Synthesis of novel pyrazole?thiadiazole hybrid as potential potent and selective cyclooxygenase-2 (COX-2) inhibitors. |
Bioorg Med Chem Lett 24: 5324-9 (2015) | KLE University | 2D 3D TSV |
| 25443644 | 10 | Thiophenes, polyacetylenes and terpenes from the aerial parts of Eclipata prostrate. |
Bioorg Med Chem 22: 6515-22 (2015) | TBA | 2D 3D TSV |
| 25442309 | 120 | Carbonic anhydrase inhibitory activity of sulfonamides and carboxylic acids incorporating cyclic imide scaffolds. |
Bioorg Med Chem Lett 24: 5185-9 (2014) | King Saud University | 2D 3D TSV |
| 25442308 | 16 | Design, synthesis and molecular docking of substituted 3-hydrazinyl-3-oxo-propanamides as anti-tubercular agents. |
Bioorg Med Chem Lett 24: 5181-4 (2014) | CSIR-Central Drug Research Institute | 2D 3D TSV |
| 25442307 | 17 | Design and synthesis of novel 5-(3,4,5-trimethoxybenzoyl)-4-aminopyrimidine derivatives as potent and selective phosphodiesterase 5 inhibitors: scaffold hopping using a pseudo-ring by intramolecular hydrogen bond formation. |
Bioorg Med Chem Lett 24: 5175-80 (2014) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 25442305 | 4 | Bioactive compounds from the insect Aspongopus chinensis. |
Bioorg Med Chem Lett 24: 5164-9 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25441945 | 3 | Homology modeling and explicit membrane molecular dynamics simulation to delineate the mode of binding of thiazolidinediones into FFAR1 and the mechanism of receptor activation. |
Bioorg Med Chem Lett 24: 5330-6 (2014) | Suez Canal University | 2D 3D TSV |
| 25441013 | 49 | Discovery of N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (VX-770, ivacaftor), a potent and orally bioavailable CFTR potentiator. |
J Med Chem 57: 9776-95 (2014) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 25440884 | 2 | Synthetic derivatives of aromatic abietane diterpenoids and their biological activities. |
Eur J Med Chem 87: 834-42 (2014) | Universidad de Valencia | 2D 3D TSV |
| 25440879 | 13 | Design, synthesis and biological evaluation of novel thieno[3,2-d]pyrimidine derivatives possessing diaryl semicarbazone scaffolds as potent antitumor agents. |
Eur J Med Chem 87: 782-93 (2014) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 25438884 | 11 | A dual inhibitor of matrix metalloproteinases and a disintegrin and metalloproteinases, [¹8F]FB-ML5, as a molecular probe for non-invasive MMP/ADAM-targeted imaging. |
Bioorg Med Chem 23: 192-202 (2014) | University Medical Center Groningen | 2D 3D TSV |
| 25438768 | 44 | Discovery andw biological evaluation of novel 6,7-disubstituted-4-(2-fluorophenoxy)quinoline derivatives possessing 1,2,3-triazole-4-carboxamide moiety as c-Met kinase inhibitors. |
Bioorg Med Chem 22: 6438-52 (2014) | Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) | 2D 3D TSV |
| 25438767 | 14 | Synthesis and analysis of potentiala1,3-fucosyltransferase inhibitors. |
Bioorg Med Chem 22: 6430-7 (2014) | Hamburg University | 2D 3D TSV |
| 25438766 | 38 | Inhibition of myeloperoxidase: evaluation of 2H-indazoles and 1H-indazolones. |
Bioorg Med Chem 22: 6422-9 (2014) | University of California | 2D 3D TSV |
| 25438759 | 38 | Synthesis and evaluation of bivalent ligands for binding to the human melanocortin-4 receptor. |
Bioorg Med Chem 22: 6360-5 (2014) | University of Arizona | 2D 3D TSV |
| 25438758 | 44 | Ferrier sulfamidoglycosylation of glycals catalyzed by nitrosonium tetrafluoroborate: towards new carbonic anhydrase glycoinhibitors. |
Bioorg Med Chem 22: 6353-9 (2014) | Ecole Nationale Sup£rieure de Chimie de Montpellier | 2D 3D TSV |
| 25438757 | 11 | Identification of novel thiadiazoloacrylamide analogues as inhibitors of dengue-2 virus NS2B/NS3 protease. |
Bioorg Med Chem 22: 6344-52 (2014) | China Pharmaceutical University | 2D 3D TSV |
| 25438755 | 9 | Novel strategy to boost oral anticoagulant activity of blood coagulation enzyme inhibitors based on biotransformation into hydrophilic conjugates. |
Bioorg Med Chem 22: 6324-32 (2014) | Astellas Pharma Inc | 2D 3D TSV |
| 25437621 | 9 | Catechol-based substrates of chalcone synthase as a scaffold for novel inhibitors of PqsD. |
Eur J Med Chem 90: 351-9 (2015) | Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
| 25437619 | 88 | Design and synthesis of protein kinase C epsilon selective diacylglycerol lactones (DAG-lactones). |
Eur J Med Chem 90: 332-41 (2015) | Seoul National University | 2D 3D TSV |
| 25437618 | 2 | Design, synthesis and evaluation of marinopyrrole derivatives as selective inhibitors of Mcl-1 binding to pro-apoptotic Bim and dual Mcl-1/Bcl-xL inhibitors. |
Eur J Med Chem 90: 315-31 (2015) | University of Nebraska | 2D 3D TSV |
| 25437506 | 57 | Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists III: the role of a hydrogen-bond acceptor in long receptor residence times. |
Bioorg Med Chem Lett 24: 5127-33 (2014) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 25437505 | 87 | Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists II: lead optimization. |
Bioorg Med Chem Lett 24: 5123-6 (2014) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 25437504 | 29 | Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of bicyclic heteroaromatic acetic acids as potent CRTh2 antagonists I. |
Bioorg Med Chem Lett 24: 5118-22 (2014) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 25437503 | 68 | Structure-activity relationships (SAR) and structure-kinetic relationships (SKR) of pyrrolopiperidinone acetic acids as CRTh2 antagonists. |
Bioorg Med Chem Lett 24: 5111-7 (2014) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 25437304 | 12 | Sterol fatty acid esters from the mushroom Hericium erinaceum and their PPAR transactivational effects. |
J Nat Prod 77: 2611-8 (2014) | Yeungnam University | 2D 3D TSV |
| 25435471 | 1 | Norbornane-based nucleoside and nucleotide analogues locked in North conformation. |
Bioorg Med Chem 23: 184-91 (2014) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 25435254 | 82 | Antidepressant- and anxiolytic-like activity of 7-phenylpiperazinylalkyl-1,3-dimethyl-purine-2,6-dione derivatives with diversified 5-HT1A receptor functional profile. |
Bioorg Med Chem 23: 212-21 (2014) | Jagiellonian University Medical College | 2D 3D TSV |
| 25435152 | 58 | New trisubstituted 1,2,4-triazoles as ghrelin receptor antagonists. |
Bioorg Med Chem Lett 25: 20-4 (2014) | University of Montpellier | 2D 3D TSV |
| 25435151 | 34 | Liver X receptor (LXR) partial agonists: biaryl pyrazoles and imidazoles displaying a preference for LXRß. |
Bioorg Med Chem Lett 25: 372-7 (2014) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25435150 | 40 | Discovery and SAR of muscarinic receptor subtype 1 (M1) allosteric activators from a molecular libraries high throughput screen. Part 1: 2,5-dibenzyl-2H-pyrazolo[4,3-c]quinolin-3(5H)-ones as positive allosteric modulators. |
Bioorg Med Chem Lett 25: 384-8 (2014) | Vanderbilt University Medical Center | 2D 3D TSV |
| 25435147 | 24 | N-Aryl azacycles as novel sodium channel blockers. |
Bioorg Med Chem Lett 25: 48-52 (2014) | Purdue Pharma LP | 2D 3D TSV |
| 25435145 | 8 | 2-Substituted N¿-glutamylanilides as novel probes of ASCT2 with improved potency. |
Bioorg Med Chem Lett 25: 113-6 (2014) | Vanderbilt University Institute of Imaging Science (VUIIS) | 2D 3D TSV |
| 25434976 | 2 | Spirotetronate polyketides as leads in drug discovery. |
J Nat Prod 78: 562-75 (2015) | University of California San Diego | 2D 3D TSV |
| 25432060 | 92 | Synthesis and carbonic anhydrase isoenzymes I, II, IX, and XII inhibitory effects of dimethoxybromophenol derivatives incorporating cyclopropane moieties. |
J Med Chem 58: 640-50 (2015) | Atat£rk University | 2D 3D TSV |
| 25432025 | 34 | Discovery of a phosphodiesterase 9A inhibitor as a potential hypoglycemic agent. |
J Med Chem 57: 10304-13 (2014) | Sun Yat-sen University | 2D 3D TSV |
| 25432018 | 6 | Synthesis and structure-activity relationship studies of small molecule disruptors of EWS-FLI1 interactions in Ewing's sarcoma. |
J Med Chem 57: 10290-303 (2014) | Georgetown University Medical Center | 2D 3D TSV |
| 25431977 | 100 | Optimization of sphingosine-1-phosphate-1 receptor agonists: effects of acidic, basic, and zwitterionic chemotypes on pharmacokinetic and pharmacodynamic profiles. |
J Med Chem 57: 10424-42 (2014) | GlaxoSmithKline | 2D 3D TSV |
| 25431645 | 2 | Cytoprotective effects of hydrogen sulfide-releasing |
Medchemcomm 5: 1577-1583 (2014) | Harvard Medical School | 2D 3D TSV |
| 25427005 | 42 | Alanine mutants of the interface residues of human thymidylate synthase decode key features of the binding mode of allosteric anticancer peptides. |
J Med Chem 58: 1012-8 (2015) | University of California San Francisco | 2D 3D TSV |
| 25426797 | 48 | Synthesis and¿-opioid receptor activity of furan-substituted salvinorin A analogues. |
J Med Chem 57: 10464-75 (2014) | The University of Kansas | 2D 3D TSV |
| 25423411 | 28 | Discovery of (S)-2-cyclopentyl-N-((1-isopropylpyrrolidin2-yl)-9-methyl-1-oxo-2,9-dihydro-1H-pyrrido[3,4-b]indole-4-carboxamide (VU0453379): a novel, CNS penetrant glucagon-like peptide 1 receptor (GLP-1R) positive allosteric modulator (PAM). |
J Med Chem 57: 10192-7 (2014) | Vanderbilt University School of Medicine | 2D 3D TSV |
| 25423286 | 26 | Decreasing the rate of metabolic ketone reduction in the discovery of a clinical acetyl-CoA carboxylase inhibitor for the treatment of diabetes. |
J Med Chem 57: 10512-26 (2014) | Pfizer Inc | 2D 3D TSV |
| 25422861 | 78 | In vivo phenotypic screening for treating chronic neuropathic pain: modification of C2-arylethynyl group of conformationally constrained A3 adenosine receptor agonists. |
J Med Chem 57: 9901-14 (2014) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 25420090 | 66 | Synthesis and biological evaluation of novel sigma-1 receptor antagonists based on pyrimidine scaffold as agents for treating neuropathic pain. |
J Med Chem 57: 10404-23 (2014) | Huazhong University of Science and Technology | 2D 3D TSV |
| 25419855 | 4 | Antiadhesive properties of glycoclusters against Pseudomonas aeruginosa lung infection. |
J Med Chem 57: 10275-89 (2014) | Universit£ Lyon 1& VetAgro Sup | 2D 3D TSV |
| 25419444 | 28 | Nanomolar-Potency Small Molecule Inhibitor of STAT5 Protein. |
ACS Med Chem Lett 5: 1202-1206 (2014) | University of Toronto Mississauga | 2D 3D TSV |
| 25418204 | 10 | Synthesis of Novel Hybrids Inspired from Bromopyrrole Alkaloids Inhibiting MMP-2 and -12 as Antineoplastic Agents. |
Chem Biol Drug Des 86: 210-22 (2015) | University of KwaZulu-Nata | 2D 3D TSV |
| 25418133 | 51 | N-Methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor. |
J Med Chem 57: 10455-63 (2014) | Laboratorio de Quimica Medica (IQOG, CSIC) | 2D 3D TSV |
| 25418070 | 2 | Electrophilic warhead-based design of compounds preventing NLRP3 inflammasome-dependent pyroptosis. |
J Med Chem 57: 10366-82 (2014) | Universit£ degli Studi di Torino | 2D 3D TSV |
| 25418038 | 82 | Indolylarylsulfones carrying a heterocyclic tail as very potent and broad spectrum HIV-1 non-nucleoside reverse transcriptase inhibitors. |
J Med Chem 57: 9945-57 (2014) | Sapienza University of Rome | 2D 3D TSV |
| 25415648 | 63 | Identification of potent and selective hydantoin inhibitors of aggrecanase-1 and aggrecanase-2 that are efficacious in both chemical and surgical models of osteoarthritis. |
J Med Chem 57: 10476-85 (2014) | Eli Lilly and Company | 2D 3D TSV |
| 25415535 | 118 | Inhibitors of c-Jun N-terminal kinases: an update. |
J Med Chem 58: 72-95 (2015) | Eberhard Karls Universit£t T£bingen | 2D 3D TSV |
| 25415134 | 5 | Novel insights into structure and function of factor XIIIa-inhibitor tridegin. |
J Med Chem 57: 10355-65 (2014) | University of Bonn | 2D 3D TSV |
| 25412465 | 20 | Synthesis of gallinamide A analogues as potent falcipain inhibitors and antimalarials. |
J Med Chem 57: 10557-63 (2014) | The University of Sydney | 2D 3D TSV |
| 25412409 | 51 | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. |
J Med Chem 57: 9855-69 (2014) | University of Dundee | 2D 3D TSV |
| 25411915 | 54 | 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors. |
J Med Chem 57: 10112-29 (2014) | Array BioPharma | 2D 3D TSV |
| 25409491 | 83 | A chemical tuned strategy to develop novel irreversible EGFR-TK inhibitors with improved safety and pharmacokinetic profiles. |
J Med Chem 57: 9889-900 (2014) | Zhejiang University | 2D 3D TSV |
| 25408841 | 108 | Design of Fluorine-Containing 3,4-Diarylfuran-2(5H)-ones as Selective COX-1 Inhibitors. |
ACS Med Chem Lett 5: 1254-8 (2014) | Vanderbilt University School of Medicine | 2D 3D TSV |
| 25408840 | 2 | Structure-Metabolism Relationships in the Glucuronidation of d-Amino Acid Oxidase Inhibitors. |
ACS Med Chem Lett 5: 1251-3 (2014) | Johns Hopkins University | 2D 3D TSV |
| 25408837 | 24 | Dihydropyrrolo[2,3-d]pyrimidines: Selective Toll-Like Receptor 9 Antagonists from Scaffold Morphing Efforts. |
ACS Med Chem Lett 5: 1235-9 (2014) | Sumitomo Dainippon Pharma Co., Ltd | 2D 3D TSV |
| 25408836 | 44 | Discovery of Highly Potent Dual CysLT1 and CysLT2 Antagonist. |
ACS Med Chem Lett 5: 1230-4 (2014) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25408834 | 63 | Inhibitors of HGFA, Matriptase, and Hepsin Serine Proteases: A Nonkinase Strategy to Block Cell Signaling in Cancer. |
ACS Med Chem Lett 5: 1219-24 (2014) | Washington University | 2D 3D TSV |
| 25408833 | 21 | Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors. |
ACS Med Chem Lett 5: 1213-8 (2014) | AstraZeneca | 2D 3D TSV |
| 25408832 | 152 | Structure Activity Relationships of ?v Integrin Antagonists for Pulmonary Fibrosis by Variation in Aryl Substituents. |
ACS Med Chem Lett 5: 1207-12 (2014) | University of Nottingham | 2D 3D TSV |
| 25408831 | 1 | Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selectivea4ß2-nAChR Ligands. |
ACS Med Chem Lett 5: 1196-201 (2014) | University of Illinois at Chicago | 2D 3D TSV |
| 25408830 | 43 | 1,3-Dimethyl Benzimidazolones Are Potent, Selective Inhibitors of the BRPF1 Bromodomain. |
ACS Med Chem Lett 5: 1190-5 (2014) | GlaxoSmithKline | 2D 3D TSV |
| 25408829 | 10 | Pyrazolsulfonamide agonists of oxytocin receptor. |
ACS Med Chem Lett 5: 1188-9 (2014) | Dart Neuroscience LLC | 2D 3D TSV |
| 25408828 | 4 | Liver x receptor agonists for the treatment of coronary heart disease and other disorders. |
ACS Med Chem Lett 5: 1186-7 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25408827 | 8 | Inhibitors of Mutant IDH for the Treatment of Cancer. |
ACS Med Chem Lett 5: 1184-5 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25408826 | 8 | Neutrophil elastase inhibitors as potential anti-inflammatory therapies. |
ACS Med Chem Lett 5: 1182-3 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25407689 | 6 | Thermodynamics of binding of structurally similar ligands to histone deacetylase 8 sheds light on challenges in the rational design of potent and isozyme-selective inhibitors of the enzyme. |
Biochemistry 53: 7445-58 (2014) | North Dakota State University | 2D 3D TSV |
| 25406944 | 20 | Targeting DNA methylation with small molecules: what's next? |
J Med Chem 58: 2569-83 (2015) | CNRS-Pierre Fabre | 2D 3D TSV |
| 25406853 | 72 | Selective inhibitors of protein methyltransferases. |
J Med Chem 58: 1596-629 (2015) | Icahn School of Medicine at Mount Sinai | 2D 3D TSV |
| 25405503 | 109 | Phenylimidazoles as potent and selective inhibitors of coagulation factor XIa with in vivo antithrombotic activity. |
J Med Chem 57: 9915-32 (2014) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25396320 | 8 | Small-molecule inhibitors of the MDM2-p53 protein-protein interaction (MDM2 Inhibitors) in clinical trials for cancer treatment. |
J Med Chem 58: 1038-52 (2015) | University of Michigan Comprehensive Cancer Center and Departments of Internal Medicine | 2D 3D TSV |
| 25393851 | 10 | Discovery of BI 207524, an indole diamide NS5B thumb pocket 1 inhibitor with improved potency for the potential treatment of chronic hepatitis C virus infection. |
J Med Chem 57: 10130-43 (2014) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
| 25393758 | 2 | Dicarba analogues ofa-conotoxin RgIA. Structure, stability, and activity at potential pain targets. |
J Med Chem 57: 9933-44 (2014) | Monash University (Parkville Campus) | 2D 3D TSV |
| 25393557 | 83 | Design and synthesis of highly potent and isoform selective JNK3 inhibitors: SAR studies on aminopyrazole derivatives. |
J Med Chem 57: 10013-30 (2014) | Translational Research Institute | 2D 3D TSV |
| 25389560 | 96 | Lead optimization and modulation of hERG activity in a series of aminooxazoline xantheneß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. |
J Med Chem 57: 9796-810 (2014) | Amgen Inc | 2D 3D TSV |
| 25387268 | 30 | Analysis of subpocket selectivity and identification of potent selective inhibitors for matriptase and matriptase-2. |
J Med Chem 57: 10198-204 (2014) | Universit£ de Sherbrooke | 2D 3D TSV |
| 25387153 | 53 | Phosphatidylinositol 3-Kinase (PI3K) and phosphatidylinositol 3-kinase-related kinase (PIKK) inhibitors: importance of the morpholine ring. |
J Med Chem 58: 41-71 (2015) | University Hospital Hradec Kralove | 2D 3D TSV |
| 25384256 | 76 | Discovery of desketoraloxifene analogues as inhibitors of mammalian, Pseudomonas aeruginosa, and NAPE phospholipase D enzymes. |
ACS Chem Biol 10: 421-32 (2015) | Vanderbilt University | 2D 3D TSV |
| 25384240 | 4 | Discovery heralds new approach to the treatment of cystic fibrosis. |
J Med Chem 57: 9774-5 (2014) | JL3Pharma LLC | 2D 3D TSV |
| 25384157 | 37 | Discovery of AM-7209, a potent and selective 4-amidobenzoic acid inhibitor of the MDM2-p53 interaction. |
J Med Chem 57: 10499-511 (2014) | Amgen Inc | 2D 3D TSV |
| 25383915 | 35 | Discovery and optimization of 4,5-diarylisoxazoles as potent dual inhibitors of pyruvate dehydrogenase kinase and heat shock protein 90. |
J Med Chem 57: 9832-43 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25383691 | 10 | Chroman-4-one- and chromone-based sirtuin 2 inhibitors with antiproliferative properties in cancer cells. |
J Med Chem 57: 9870-88 (2014) | University of Gothenburg | 2D 3D TSV |
| 25383627 | 85 | Discovery of selective and noncovalent diaminopyrimidine-based inhibitors of epidermal growth factor receptor containing the T790M resistance mutation. |
J Med Chem 57: 10176-91 (2014) | Genentech Inc | 2D 3D TSV |
| 25383422 | 48 | Discovery of 2-(cyclopentylamino)thieno[3,2-d]pyrimidin-4(3H)-one derivatives as a new series of potent phosphodiesterase 7 inhibitors. |
J Med Chem 57: 9844-54 (2014) | Kyoto 607-8042 | 2D 3D TSV |
| 25382253 | 6 | Identification and characterization of a small-molecule inhibitor of death-associated protein kinase 1. |
Chembiochem 16: 59-63 (2015) | University of Copenhagen | 2D 3D TSV |
| 25380517 | 76 | Synthesis, biological evaluation, and 3D QSAR study of 2-methyl-4-oxo-3-oxetanylcarbamic acid esters as N-acylethanolamine acid amidase (NAAA) inhibitors. |
J Med Chem 57: 10101-11 (2014) | Istituto Italiano di Tecnologia | 2D 3D TSV |
| 25380506 | 4 | Biochemical and structural analysis of inhibitors targeting the ADC-7 cephalosporinase of Acinetobacter baumannii. |
Biochemistry 53: 7670-9 (2014) | Grand Valley State University | 2D 3D TSV |
| 25380412 | 88 | Discovery and optimization of an azetidine chemical series as a free fatty acid receptor 2 (FFA2) antagonist: from hit to clinic. |
J Med Chem 57: 10044-57 (2014) | Galapagos | 2D 3D TSV |
| 25380299 | 61 | Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles. |
J Med Chem 57: 9644-57 (2014) | Technical University of Denmark | 2D 3D TSV |
| 25379648 | 6 | Quinone reductase 2 is an adventitious target of protein kinase CK2 inhibitors TBBz (TBI) and DMAT. |
Biochemistry 54: 47-59 (2015) | University of Western Ontario | 2D 3D TSV |
| 25379609 | 24 | SAR studies on tetrahydroisoquinoline derivatives: the role of flexibility and bioisosterism to raise potency and selectivity toward P-glycoprotein. |
J Med Chem 57: 9983-94 (2014) | Universit£ degli Studi di Bari"A. Moro" | 2D 3D TSV |
| 25375908 | 9 | Targeting aldose reductase for the treatment of diabetes complications and inflammatory diseases: new insights and future directions. |
J Med Chem 58: 2047-67 (2015) | Universit£ degli Studi di Messina | 2D 3D TSV |
| 25375781 | 4 | Positive allosteric modulators of 2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)propionic acid receptors belonging to 4-cyclopropyl-3,4-dihydro-2h-1,2,4-pyridothiadiazine dioxides and diversely chloro-substituted 4-cyclopropyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxides. |
J Med Chem 57: 9539-53 (2014) | University of Liege | 2D 3D TSV |
| 25375026 | 14 | Structures and bioactivities of dihydrochalcones from Metrodorea stipularis. |
J Nat Prod 77: 2418-22 (2014) | Universidade Federal de S£o Carlos | 2D 3D TSV |
| 25372368 | 58 | Fast identification of novel lymphoid tyrosine phosphatase inhibitors using target-ligand interaction-based virtual screening. |
J Med Chem 57: 9309-22 (2014) | Shandong University | 2D 3D TSV |
| 25372276 | 53 | Imidazopyridine- and purine-thioacetamide derivatives: potent inhibitors of nucleotide pyrophosphatase/phosphodiesterase 1 (NPP1). |
J Med Chem 57: 10080-100 (2014) | KU Leuven | 2D 3D TSV |
| 25369539 | 116 | SAR156497, an exquisitely selective inhibitor of aurora kinases. |
J Med Chem 58: 362-75 (2015) | Sanofi | 2D 3D TSV |
| 25369470 | 2 | Astemizole arrests the proliferation of cancer cells by disrupting the EZH2-EED interaction of polycomb repressive complex 2. |
J Med Chem 57: 9512-21 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25369367 | 25 | ß-Lactam estrogen receptor antagonists and a dual-targeting estrogen receptor/tubulin ligand. |
J Med Chem 57: 9370-82 (2014) | Trinity College | 2D 3D TSV |
| 25369270 | 93 | Triazolopyridines as selective JAK1 inhibitors: from hit identification to GLPG0634. |
J Med Chem 57: 9323-42 (2014) | Galapagos NV | 2D 3D TSV |
| 25368984 | 14 | Design, structure-activity relationship, and in vivo characterization of the development candidate NVP-HSP990. |
J Med Chem 57: 9124-9 (2014) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25368960 | 17 | Biphenyl-4-carboxylic acid [2-(1H-indol-3-yl)-ethyl]-methylamide (CA224), a nonplanar analogue of fascaplysin, inhibits Cdk4 and tubulin polymerization: evaluation of in vitro and in vivo anticancer activity. |
J Med Chem 57: 9658-72 (2014) | De Montfort University | 2D 3D TSV |
| 25365789 | 83 | The discovery of potent, selective, and reversible inhibitors of the house dust mite peptidase allergen Der p 1: an innovative approach to the treatment of allergic asthma. |
J Med Chem 57: 9447-62 (2014) | Domainex Ltd | 2D 3D TSV |
| 25365140 | 5 | Reversible ketomethylene-based inhibitors of human neutrophil proteinase 3. |
J Med Chem 57: 9396-408 (2014) | University of Bergen | 2D 3D TSV |
| 25364867 | 15 | Inhibiting the deubiquitinating enzymes (DUBs). |
J Med Chem 58: 1581-95 (2015) | Genentech | 2D 3D TSV |
| 25363711 | 62 | Inhibitors ofß-site amyloid precursor protein cleaving enzyme (BACE1): identification of (S)-7-(2-fluoropyridin-3-yl)-3-((3-methyloxetan-3-yl)ethynyl)-5'H-spiro[chromeno[2,3-b]pyridine-5,4'-oxazol]-2'-amine (AMG-8718). |
J Med Chem 57: 9811-31 (2014) | Amgen Inc | 2D 3D TSV |
| 25359714 | 55 | Enzymatic Studies of Isoflavonoids as Selective and Potent Inhibitors of Human Leukocyte 5-Lipo-Oxygenase. |
Chem Biol Drug Des 86: 114-21 (2015) | Universidad de Santiago | 2D 3D TSV |
| 25358116 | 84 | Synthesis of 7-halogenated isatin sulfonamides: nonradioactive counterparts of caspase-3/-7 inhibitor-based potential radiopharmaceuticals for molecular imaging of apoptosis. |
J Med Chem 57: 9383-95 (2014) | Westf£lische Wilhelms-Universit£t M£nster | 2D 3D TSV |
| 25358084 | 143 | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. |
J Med Chem 57: 9435-46 (2014) | Vilnius University | 2D 3D TSV |
| 25358036 | 64 | A class of 4-sulfamoylphenyl-¿-aminoalkyl ethers with effective carbonic anhydrase inhibitory action and antiglaucoma effects. |
J Med Chem 57: 9673-86 (2014) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25357262 | 39 | Structure-based design and development of functionalized Mercaptoguanine derivatives as inhibitors of the folate biosynthesis pathway enzyme 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from Staphylococcus aureus. |
J Med Chem 57: 9612-26 (2014) | Monash University | 2D 3D TSV |
| 25356789 | 20 | Synthesis and structure-activity relationship study of chemical probes as hypoxia induced factor-1a/malate dehydrogenase 2 inhibitors. |
J Med Chem 57: 9522-38 (2014) | Dongguk University-Seoul | 2D 3D TSV |
| 25353650 | 111 | Discovery and preclinical profiling of 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile (PF-06447475), a highly potent, selective, brain penetrant, and in vivo active LRRK2 kinase inhibitor. |
J Med Chem 58: 419-32 (2015) | Pfizer Inc | 2D 3D TSV |
| 25352216 | 105 | A Molecular Dynamics Investigation of Mycobacterium tuberculosis Prenyl Synthases: Conformational Flexibility and Implications for Computer-aided Drug Discovery. |
Chem Biol Drug Des 85: 756-69 (2015) | University of California San Diego | 2D 3D TSV |
| 25350923 | 7 | Hybrids of phenylsulfonylfuroxan and coumarin as potent antitumor agents. |
J Med Chem 57: 9343-56 (2014) | Fudan University | 2D 3D TSV |
| 25349648 | 29 | Discovery of a Potent and Selective DGAT1 Inhibitor with a Piperidinyl-oxy-cyclohexanecarboxylic Acid Moiety. |
ACS Med Chem Lett 5: 1082-7 (2014) | Merck Research Laboratories | 2D 3D TSV |
| 25347033 | 93 | 1,4-disubstituted-[1,2,3]triazolyl-containing analogues of MT-II: design, synthesis, conformational analysis, and biological activity. |
J Med Chem 57: 9424-34 (2014) | University of Cergy-Pontoise | 2D 3D TSV |
| 25346381 | 6 | Identification of Novel Selective Lysine-Specific Demethylase 1 (LSD1) Inhibitors Using a Pharmacophore-Based Virtual Screening Combined with Docking. |
Chem Biol Drug Des 85: 659-71 (2015) | China Pharmaceutical University | 2D 3D TSV |
| 25346162 | 16 | Synthesis, Biological Evaluation, and Molecular Simulation of Chalcones and Aurones as Selective MAO-B Inhibitors. |
Chem Biol Drug Des 85: 685-95 (2015) | Pontificia Universidad Católica de Chile | 2D 3D TSV |
| 25343529 | 221 | Targeting dopamine D3 and serotonin 5-HT1A and 5-HT2A receptors for developing effective antipsychotics: synthesis, biological characterization, and behavioral studies. |
J Med Chem 57: 9578-97 (2014) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 25341194 | 42 | Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability. |
J Med Chem 57: 9480-94 (2014) | University of Illinois at Chicago | 2D 3D TSV |
| 25341110 | 66 | Discovery of dual leucine zipper kinase (DLK, MAP3K12) inhibitors with activity in neurodegeneration models. |
J Med Chem 58: 401-18 (2015) | Genentech | 2D 3D TSV |
| 25333853 | 6 | Polyyne hybrid compounds from Notopterygium incisum with peroxisome proliferator-activated receptor gamma agonistic effects. |
J Nat Prod 77: 2513-21 (2014) | Karl-Franzens-University Graz | 2D 3D TSV |
| 25333769 | 22 | Identifying novel selective non-nucleoside DNA methyltransferase 1 inhibitors through docking-based virtual screening. |
J Med Chem 57: 9028-41 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25333641 | 11 | Recent advances in the development of acetyl-CoA carboxylase (ACC) inhibitors for the treatment of metabolic disease. |
J Med Chem 58: 525-36 (2015) | Amgen Inc | 2D 3D TSV |
| 25330343 | 49 | Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro. |
J Med Chem 57: 9598-611 (2014) | Translational Research Institute | 2D 3D TSV |
| 25330258 | 18 | Radiosynthesis and evaluation of an 18F-labeled positron emission tomography (PET) radioligand for metabotropic glutamate receptor subtype 4 (mGlu4). |
J Med Chem 57: 9130-8 (2014) | Massachusetts General Hospital | 2D 3D TSV |
| 25328063 | 57 | Synthesis, Molecular Modeling, and Biological Evaluation of Novel 1, 3-Diphenyl-2-propen-1-one Based Pyrazolines as Anti-inflammatory Agents. |
Chem Biol Drug Des 85: 729-42 (2015) | Universiti Kebangsaan Malaysia, Jalan Raja Muda Abdul Aziz | 2D 3D TSV |
| 25327968 | 4 | Derivatives form better lipoxygenase inhibitors than piperine: in vitro and in silico study. |
Chem Biol Drug Des 85: 715-21 (2015) | Kannur University, Thalassery Campus | 2D 3D TSV |
| 25318998 | 11 | Design, synthesis and biological evaluation of metronidazole-thiazole derivatives as antibacterial inhibitors. |
Bioorg Med Chem Lett (2014) | School of Life Science Nanjing University | 2D 3D TSV |
| 25318072 | 48 | Loratadine and analogues: discovery and preliminary structure-activity relationship of inhibitors of the amino acid transporter B(0)AT2. |
J Med Chem 57: 9473-9 (2014) | Max Planck Institute of Psychiatry | 2D 3D TSV |
| 25317480 | 4 | Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability. |
J Med Chem 57: 8792-816 (2014) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 25316315 | 18 | Discovery of a novel pyrazole series of group X secreted phospholipase A2 inhibitor (sPLA2X) via fragment based virtual screening. |
Bioorg Med Chem Lett 24: 5251-5 (2014) | AstraZeneca | 2D 3D TSV |
| 25314628 | 12 | Fragment-based screening of the bromodomain of ATAD2. |
J Med Chem 57: 9687-92 (2014) | Vanderbilt University School of Medicine | 2D 3D TSV |
| 25314271 | 44 | Biased multicomponent reactions to develop novel bromodomain inhibitors. |
J Med Chem 57: 9019-27 (2014) | Dana-Farber Institute | 2D 3D TSV |
| 25314129 | 15 | Inhibitory activities of propolis and its promising component, caffeic acid phenethyl ester, against amyloidogenesis of human transthyretin. |
J Med Chem 57: 8928-35 (2014) | University of Toyama | 2D 3D TSV |
| 25313996 | 91 | Discovery of novel, dual mechanism ERK inhibitors by affinity selection screening of an inactive kinase. |
J Med Chem 57: 8817-26 (2014) | Merck Research Laboratories | 2D 3D TSV |
| 25313505 | 35 | Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors. |
Eur J Med Chem 87: 765-81 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25313449 | 8 | Medicinal chemistry optimization of antiplasmodial imidazopyridazine hits from high throughput screening of a softfocus kinase library: part 2. |
J Med Chem 57: 8839-48 (2014) | University of Cape Town | 2D 3D TSV |
| 25313331 | 34 | Synthesis of Deuterated Benzopyran Derivatives as Selective COX-2 Inhibitors with Improved Pharmacokinetic Properties. |
ACS Med Chem Lett 5: 1162-6 (2014) | Institutes of Biomedicine and Health | 2D 3D TSV |
| 25313327 | 11 | Discovery of Cathepsin S Inhibitor LY3000328 for the Treatment of Abdominal Aortic Aneurysm. |
ACS Med Chem Lett 5: 1138-42 (2014) | Eli Lilly and Company | 2D 3D TSV |
| 25313325 | 8 | Saralasin and Sarile Are AT2 Receptor Agonists. |
ACS Med Chem Lett 5: 1129-32 (2014) | Universit£ de Sherbrooke | 2D 3D TSV |
| 25313323 | 23 | Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors. |
ACS Med Chem Lett 5: 1119-23 (2014) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
| 25313322 | 62 | Discovery of 2-Pyridylpyrimidines as the First Orally Bioavailable GPR39 Agonists. |
ACS Med Chem Lett 5: 1114-8 (2014) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25313318 | 4 | Development of a new benzophenone-diketopiperazine-type potent antimicrotubule agent possessing a 2-pyridine structure. |
ACS Med Chem Lett 5: 1094-8 (2014) | Tokyo University of Pharmacy and Life Sciences | 2D 3D TSV |
| 25313317 | 51 | Discovery of a Potent and Selective BCL-XL Inhibitor with in Vivo Activity. |
ACS Med Chem Lett 5: 1088-93 (2014) | AbbVie Inc | 2D 3D TSV |
| 25313316 | 20 | 3-Cyano-3-aza-ß-amino Acid Derivatives as Inhibitors of Human Cysteine Cathepsins. |
ACS Med Chem Lett 5: 1076-81 (2014) | University of Bonn | 2D 3D TSV |
| 25311567 | 35 | Improved antiproliferative activity of 1,3,4-thiadiazole-containing histone deacetylase (HDAC) inhibitors by introduction of the heteroaromatic surface recognition motif. |
Bioorg Med Chem 22: 5766-75 (2014) | Shandong University | 2D 3D TSV |
| 25311564 | 30 | Thieno[2,3-b]pyridines--a new class of multidrug resistance (MDR) modulators. |
Bioorg Med Chem 22: 5860-70 (2014) | Institute of Organic Synthesis | 2D 3D TSV |
| 25311563 | 12 | Synthesis and highly potent hypolipidemic activity of alpha-asarone- and fibrate-based 2-acyl and 2-alkyl phenols as HMG-CoA reductase inhibitors. |
Bioorg Med Chem 22: 5871-82 (2014) | Instituto Polit£cnico Nacional (IPN) | 2D 3D TSV |
| 25310626 | 80 | Structural insights on carbonic anhydrase inhibitory action, isoform selectivity, and potency of sulfonamides and coumarins incorporating arylsulfonylureido groups. |
J Med Chem 57: 9152-67 (2014) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25310383 | 50 | Potent nonimmunosuppressive cyclophilin inhibitors with improved pharmaceutical properties and decreased transporter inhibition. |
J Med Chem 57: 8503-16 (2014) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25308766 | 56 | Design, synthesis and evaluation of benzo[a]thieno[3,2-g]quinolizines as novel l-SPD derivatives possessing dopamine D1, D2 and serotonin 5-HT1A multiple action profiles. |
Bioorg Med Chem 22: 5838-46 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25305688 | 41 | Identification of the first inverse agonist of retinoid-related orphan receptor (ROR) with dual selectivity for RORß and ROR¿t. |
Bioorg Med Chem Lett 24: 5265-7 (2014) | Phenex Pharmaceuticals AG | 2D 3D TSV |
| 25305334 | 32 | A perspective on targeting non-structural proteins to combat neglected tropical diseases: Dengue, West Nile and Chikungunya viruses. |
Eur J Med Chem 87: 677-702 (2014) | University of KwaZulu-Natal | 2D 3D TSV |
| 25305332 | 25 | Implications of N-capped urea/thiourea and C-capped 3-(1-piperazinyl)-1,2-benzisothiazole with bridging Gly-Val/Phe-Gly-Val-Pro as therapeutic targets. |
Eur J Med Chem 87: 657-61 (2014) | University of Mysore | 2D 3D TSV |
| 25305330 | 75 | Design and synthesis of Lapatinib derivatives containing a branched side chain as HER1/HER2 targeting antitumor drug candidates. |
Eur J Med Chem 87: 631-42 (2014) | Southeast University | 2D 3D TSV |
| 25305010 | 7 | ¿-Hydroxyethyl piperidine iminosugar and N-alkylated derivatives: a study of their activity as glycosidase inhibitors and as immunosuppressive agents. |
Bioorg Med Chem 22: 5776-82 (2014) | University of Pune | 2D 3D TSV |
| 25304896 | 1 | From the covalent linkage of drugs to novel inhibitors of ribonucleotide reductase: synthesis and biological evaluation of valproic esters of 3'-C-methyladenosine. |
Bioorg Med Chem Lett 24: 5304-9 (2014) | University of Camerino | 2D 3D TSV |
| 25304894 | 3 | Vanillin-derived antiproliferative compounds influence Plk1 activity. |
Bioorg Med Chem Lett 24: 5063-9 (2014) | Johann-Wolfgang-Goethe University of Frankfurt | 2D 3D TSV |
| 25300820 | 4 | Chemical synthesis, cytotoxicity, selectivity and bioavailability of 5?-androstane-3?,17?-diol derivatives. |
Bioorg Med Chem 22: 5847-59 (2014) | Universit£ Laval | 2D 3D TSV |
| 25300819 | 5 | Synthesis and evaluation of novel triazoles and mannich bases functionalized 1,4-dihydropyridine as angiotensin converting enzyme (ACE) inhibitors. |
Bioorg Med Chem 22: 5824-30 (2014) | CSIR-Indian Institute of Chemical Technology | 2D 3D TSV |
| 25299683 | 13 | Scaffold hopping approach on the route to selective tankyrase inhibitors. |
Eur J Med Chem 87: 611-23 (2014) | University of Perugia | 2D 3D TSV |
| 25299353 | 30 | Two-pronged attack: dual inhibition of Plasmodium falciparum M1 and M17 metalloaminopeptidases by a novel series of hydroxamic acid-based inhibitors. |
J Med Chem 57: 9168-83 (2014) | Monash University | 2D 3D TSV |
| 25298094 | 28 | Plant-derived flavones as inhibitors of aurora B kinase and their quantitative structure-activity relationships. |
Chem Biol Drug Des 85: 574-85 (2015) | Konkuk University | 2D 3D TSV |
| 25295392 | 30 | Structure-activity relationship of highly potent galactonoamidine inhibitors toward ?-galactosidase (Aspergillus oryzae). |
J Med Chem 57: 8999-9009 (2014) | University of Arkansas | 2D 3D TSV |
| 25293447 | 51 | Beta-aminoketones as prodrugs for selective irreversible inhibitors of type-1 methionine aminopeptidases. |
Bioorg Med Chem Lett 24: 5310-4 (2014) | Heidelberg University | 2D 3D TSV |
| 25290020 | 4 | n-Alkylboronic acid inhibitors reveal determinants of ligand specificity in the quorum-quenching and siderophore biosynthetic enzyme PvdQ. |
Biochemistry 53: 6679-86 (2014) | The University of Texas | 2D 3D TSV |
| 25288496 | 106 | Structure-guided design and development of novel benzimidazole class of compounds targeting DNA gyraseB enzyme of Staphylococcus aureus. |
Bioorg Med Chem 22: 5970-87 (2014) | Birla Institute of Technology & Science-Pilani | 2D 3D TSV |
| 25288495 | 35 | Peptidomimetics of Arg-Phe-NH2 as small molecule agonists of Mas-related gene C (MrgC) receptors. |
Bioorg Med Chem 22: 5831-7 (2014) | Johns Hopkins University | 2D 3D TSV |
| 25288494 | 13 | Structure-activity relationships of the thujaplicins for inhibition of human tyrosinase. |
Bioorg Med Chem 22: 6193-200 (2014) | Institute for Theoretical Medicine, Inc. | 2D 3D TSV |
| 25288493 | 96 | Human alpha1-adrenoceptor subtype selectivity of substituted homobivalent 4-aminoquinolines. |
Bioorg Med Chem 22: 5910-6 (2014) | UNSW Australia | 2D 3D TSV |
| 25288188 | 64 | 2-Guanidinoquinazolines as new inhibitors of the STAT3 pathway. |
Bioorg Med Chem Lett 24: 5081-5 (2014) | University of Pittsburgh | 2D 3D TSV |
| 25288187 | 45 | Bioavailable pyrrolo-benzo-1,4-diazines as Na(v)1.7 sodium channel blockers for the treatment of pain. |
Bioorg Med Chem Lett 24: 4958-62 (2014) | Merck Research Laboratory | 2D 3D TSV |
| 25288186 | 20 | An update on therapeutic opportunities offered by cancer glycolytic metabolism. |
Bioorg Med Chem Lett 24: 4915-25 (2014) | Universit£ di Pisa | 2D 3D TSV |
| 25286150 | 75 | Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists. |
J Med Chem 57: 8984-98 (2014) | AstraZeneca | 2D 3D TSV |
| 25286019 | 18 | Novel DNA gyrase inhibiting spiropyrimidinetriones with a benzisoxazole scaffold: SAR and in vivo characterization. |
J Med Chem 57: 9078-95 (2014) | AstraZeneca | 2D 3D TSV |
| 25284251 | 12 | Tritium-labelled isovaleryl-RYYRIK-NH2 as potential antagonist probe for ORL1 nociceptin receptor. |
Bioorg Med Chem 22: 5902-9 (2014) | Kyushu University | 2D 3D TSV |
| 25283554 | 43 | Design, synthesis, and structure-activity relationship of novel opioid¿ receptor selective agonists:a-iminoamide derivatives with an azabicyclo[2.2.2]octene skeleton. |
Bioorg Med Chem Lett 24: 4980-3 (2014) | Kitasato University | 2D 3D TSV |
| 25283372 | 27 | Repurposing human PDE4 inhibitors for neglected tropical diseases. Evaluation of analogs of the human PDE4 inhibitor GSK-256066 as inhibitors of PDEB1 of Trypanosoma brucei. |
Chem Biol Drug Des 85: 549-64 (2015) | Northeastern University | 2D 3D TSV |
| 25282672 | 18 | Design and optimization of novel 4-(2-fluorophenoxy)quinoline derivatives bearing a hydrazone moiety as c-Met kinase inhibitors. |
Eur J Med Chem 87: 508-18 (2014) | Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) | 2D 3D TSV |
| 25282655 | 51 | Piperazine and piperidine carboxamides and carbamates as inhibitors of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL). |
Bioorg Med Chem 22: 6694-705 (2014) | University of Eastern Finland | 2D 3D TSV |
| 25282654 | 56 | Design, synthesis and evaluation of novel tacrine-(ß-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease. |
Bioorg Med Chem 22: 6089-104 (2014) | China Pharmaceutical University | 2D 3D TSV |
| 25282650 | 8 | Development of benzo[d]oxazol-2(3H)-ones derivatives as novel inhibitors of Mycobacterium tuberculosis InhA. |
Bioorg Med Chem 22: 6134-45 (2014) | Birla Institute of Technology | 2D 3D TSV |
| 25282649 | 19 | Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A transpeptidase. |
Bioorg Med Chem 22: 5988-6003 (2014) | University of Latvia | 2D 3D TSV |
| 25282647 | 18 | Expanding the results of a high throughput screen against an isochorismate-pyruvate lyase to enzymes of a similar scaffold or mechanism. |
Bioorg Med Chem 22: 5961-9 (2014) | University of Kansas | 2D 3D TSV |
| 25282552 | 30 | Discovery of substituted 6-pheny-3H-pyridazin-3-one derivatives as novel c-Met kinase inhibitors. |
Bioorg Med Chem Lett 24: 5093-7 (2014) | Sungkyunkwan University | 2D 3D TSV |
| 25282266 | 40 | Discovery of indanone derivatives as multi-target-directed ligands against Alzheimer's disease. |
Eur J Med Chem 87: 429-39 (2014) | Sun Yat-sen University | 2D 3D TSV |
| 25282263 | 20 | Multidrug resistance (MDR) reversers: High activity and efficacy in a series of asymmetrical N,N-bis(alkanol)amine aryl esters. |
Eur J Med Chem 87: 398-412 (2014) | Universit£ di Firenze | 2D 3D TSV |
| 25282262 | 39 | Fluorinated analogues of marsanidine, a highly ?2-AR/imidazoline I1 binding site-selective hypotensive agent. Synthesis and biological activities. |
Eur J Med Chem 87: 386-97 (2014) | Medical University of Gdansk | 2D 3D TSV |
| 25281269 | 35 | Synthesis and pharmacological evaluation of optically pure, novel carbonyl guanidine derivatives as dual 5-HT2B and 5-HT7 receptor antagonists. |
Bioorg Med Chem 22: 6026-38 (2014) | Astellas Pharma Inc | 2D 3D TSV |
| 25280182 | 3 | DNA repair and redox activities and inhibitors of apurinic/apyrimidinic endonuclease 1/redox effector factor 1 (APE1/Ref-1): a comparative analysis and their scope and limitations toward anticancer drug development. |
J Med Chem 57: 10241-56 (2014) | Central University of Punjab | 2D 3D TSV |
| 25278234 | 25 | Discovery of tetrahydroisoquinoline-based bivalent heterodimeric IAP antagonists. |
Bioorg Med Chem Lett 24: 5022-9 (2014) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
| 25277281 | 17 | Neuraminidase inhibitory activities of quaternary isoquinoline alkaloids from Corydalis turtschaninovii rhizome. |
Bioorg Med Chem 22: 6047-52 (2014) | Chungnam National University | 2D 3D TSV |
| 25277067 | 7 | Discovery of diamine-linked 17-aroylamido-17-demethoxygeldanamycins as potent Hsp90 inhibitors. |
Eur J Med Chem 87: 346-63 (2014) | Shandong University | 2D 3D TSV |
| 25277066 | 10 | Exemestane metabolites: Synthesis, stereochemical elucidation, biochemical activity and anti-proliferative effects in a hormone-dependent breast cancer cell line. |
Eur J Med Chem 87: 336-45 (2014) | University of Coimbra | 2D 3D TSV |
| 25275964 | 171 | Synthesis and biological evaluation of a novel series of heterobivalent muscarinic ligands based on xanomeline and 1-[3-(4-butylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinolin-2-one (77-LH-28-1). |
J Med Chem 57: 9065-77 (2014) | Universit£ di Camerino | 2D 3D TSV |
| 25275824 | 62 | Discovery of potent and selective sirtuin 2 (SIRT2) inhibitors using a fragment-based approach. |
J Med Chem 57: 8340-57 (2014) | University of Minnesota | 2D 3D TSV |
| 25272206 | 88 | CB2-selective cannabinoid receptor ligands: synthesis, pharmacological evaluation, and molecular modeling investigation of 1,8-Naphthyridin-2(1H)-one-3-carboxamides. |
J Med Chem 57: 8777-91 (2014) | Universit£ di Pisa | 2D 3D TSV |
| 25272055 | 18 | Converting potent indeno[1,2-b]indole inhibitors of protein kinase CK2 into selective inhibitors of the breast cancer resistance protein ABCG2. |
J Med Chem 58: 265-77 (2015) | BMSSI UMR 5086 CNRS/Universit£ Lyon 1 | 2D 3D TSV |
| 25271963 | 93 | Discovery of a potent and selective EGFR inhibitor (AZD9291) of both sensitizing and T790M resistance mutations that spares the wild type form of the receptor. |
J Med Chem 57: 8249-67 (2014) | AstraZeneca | 2D 3D TSV |
| 25271760 | 95 | Inhibition of cancer-associated mutant isocitrate dehydrogenases: synthesis, structure-activity relationship, and selective antitumor activity. |
J Med Chem 57: 8307-18 (2014) | Baylor College of Medicine | 2D 3D TSV |
| 25270403 | 44 | Discovery of 4-aminoquinazoline--urea derivatives as Aurora kinase inhibitors with antiproliferative activity. |
Bioorg Med Chem 22: 5813-23 (2014) | Southeast University | 2D 3D TSV |
| 25268943 | 116 | Nonpeptide small molecule agonist and antagonist original leads for neuropeptide FF1 and FF2 receptors. |
J Med Chem 57: 8903-27 (2014) | The University of Mississippi | 2D 3D TSV |
| 25268757 | 16 | How aß-D-glucoside side chain enhances binding affinity to thrombin of inhibitors bearing 2-chlorothiophene as P1 moiety: crystallography, fragment deconstruction study, and evaluation of antithrombotic properties. |
J Med Chem 57: 8563-75 (2014) | Consiglio Nazionale delle Ricerche | 2D 3D TSV |
| 25268544 | 12 | Trehalose- and glucose-derived glycoamphiphiles: small-molecule and nanoparticle Toll-like receptor 4 (TLR4) modulators. |
J Med Chem 57: 9105-23 (2014) | University of Sevilla | 2D 3D TSV |
| 25267006 | 1 | Design, synthesis and biological evaluation of novel 5-phenyl-1H-pyrazole derivatives as potential BRAF(V600E) inhibitors. |
Bioorg Med Chem 22: 6201-8 (2014) | Nanjing University | 2D 3D TSV |
| 25267005 | 70 | Inhibition of carbonic anhydrase isoforms I, II, IX and XII with novel Schiff bases: identification of selective inhibitors for the tumor-associated isoforms over the cytosolic ones. |
Bioorg Med Chem 22: 5883-90 (2014) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25267004 | 51 | Design, synthesis, and structure-activity relationships of a series of novel N-aryl-2-phenylcyclopropanecarboxamide that are potent and orally active orexin receptor antagonists. |
Bioorg Med Chem 22: 6071-88 (2014) | Eisai Co., Ltd | 2D 3D TSV |
| 25266785 | 18 | Discovery of a 1,2-bis(3-indolyl)ethane that selectively inhibits the pyruvate kinase of methicillin-resistant Staphylococcus aureus over human isoforms. |
Bioorg Med Chem Lett 24: 5059-62 (2014) | University of British Columbia | 2D 3D TSV |
| 25266782 | 41 | Discovery of pyridyl sulfonamide 11-beta-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors for the treatment of metabolic disorders. |
Bioorg Med Chem Lett 24: 5045-9 (2014) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25266780 | 54 | Ejection of structural zinc leads to inhibition of¿-butyrobetaine hydroxylase. |
Bioorg Med Chem Lett 24: 4954-7 (2014) | University of Oxford | 2D 3D TSV |
| 25265559 | 19 | Potent cholesteryl ester transfer protein inhibitors of reduced lipophilicity: 1,1'-spiro-substituted hexahydrofuroquinoline derivatives. |
J Med Chem 57: 8766-76 (2014) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
| 25265401 | 38 | Targeting matrix metalloproteinases: exploring the dynamics of the s1' pocket in the design of selective, small molecule inhibitors. |
J Med Chem 57: 10205-19 (2014) | Universidad CEU San Pablo | 2D 3D TSV |
| 25264825 | 54 | Modulation of cAMP-specific PDE without emetogenic activity: new sulfide-like PDE7 inhibitors. |
J Med Chem 57: 8590-607 (2014) | Centro de Investigaciones Biol�gicas (CSIC) | 2D 3D TSV |
| 25264600 | 64 | Discovery of novel, highly potent, and selective quinazoline-2-carboxamide-based matrix metalloproteinase (MMP)-13 inhibitors without a zinc binding group using a structure-based design approach. |
J Med Chem 57: 8886-902 (2014) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25264584 | 20 | Synthesis of oleanolic acid derivatives: In vitro, in vivo and in silico studies for PTP-1B inhibition. |
Eur J Med Chem 87: 316-27 (2014) | Universidad Aut£noma del Estado de Morelos | 2D 3D TSV |
| 25264478 | 6 | Indoleamine 2,3-dioxygenase inhibitors: potential treatment for cancer, sepsis, and more. |
ACS Med Chem Lett 5: 958-60 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25264476 | 8 | Modulators of GPR40 as Treatment for Diabetes. |
ACS Med Chem Lett 5: 954-5 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25264075 | 112 | Discovery of potent and selective GIRK1/2 modulators via 'molecular switches' within a series of 1-(3-cyclopropyl-1-phenyl-1H-pyrazol-5-yl)ureas. |
Bioorg Med Chem Lett 24: 5102-6 (2014) | Northwest A&F University | 2D 3D TSV |
| 25262942 | 189 | Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping. |
Bioorg Med Chem 22: 6256-69 (2014) | AstraZeneca | 2D 3D TSV |
| 25262941 | 9 | Design, synthesis and biological activity of flavonoid derivatives as selective agonists for neuromedin U 2 receptor. |
Bioorg Med Chem 22: 6117-23 (2014) | East China Normal University | 2D 3D TSV |
| 25262940 | 3 | 2-(2-Bromophenyl)-formononetin and 2-heptyl-formononetin are PPAR¿ partial agonists and reduce lipid accumulation in 3T3-L1 adipocytes. |
Bioorg Med Chem 22: 6105-11 (2014) | University of Copenhagen | 2D 3D TSV |
| 25262541 | 86 | Scaffold hopping towards potent and selective JAK3 inhibitors: discovery of novel C-5 substituted pyrrolopyrazines. |
Bioorg Med Chem Lett 24: 4969-75 (2014) | Hoffmann-La Roche Inc | 2D 3D TSV |
| 25262051 | 3 | Synthesis and evaluation of benzimidazole carbamates bearing indole moieties for antiproliferative and antitubulin activities. |
Eur J Med Chem 87: 306-15 (2014) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 25261929 | 20 | Pyrazole derivatives as potent inhibitors of c-Jun N-terminal kinase: synthesis and SAR studies. |
Bioorg Med Chem 22: 6209-19 (2014) | Kakatiya University | 2D 3D TSV |
| 25261928 | 17 | Effect of dehydroepiandrosterone derivatives on the activity of 5a-reductase isoenzymes and on cancer cell line PC-3. |
Bioorg Med Chem 22: 6233-41 (2014) | National University of Mexico | 2D 3D TSV |
| 25261927 | 80 | Design, synthesis and biological evaluation of 4-anilinothieno[2,3-d]pyrimidine-based hydroxamic acid derivatives as novel histone deacetylase inhibitors. |
Bioorg Med Chem 22: 6146-55 (2014) | The Walter and Eliza Hall Institute of Medical Research | 2D 3D TSV |
| 25261823 | 107 | Structure-affinity/activity relationships of 1,4-dioxa-spiro[4.5]decane based ligands ata<alpha>1 and 5-HT1A receptors. |
Eur J Med Chem 87: 248-66 (2014) | Universit£ degli Studi di Modena e Reggio Emilia | 2D 3D TSV |
| 25260958 | 46 | Design, synthesis and pharmacological evaluation of chalcone derivatives as acetylcholinesterase inhibitors. |
Bioorg Med Chem 22: 6124-33 (2014) | Hu'nan University | 2D 3D TSV |
| 25260492 | 48 | Development of 2-aryl substituted quinazolin-4(3H)-one, pyrido[4,3-d]pyrimidin-4(3H)-one and pyrido[2,3-d]pyrimidin-4(3H)-one derivatives as microsomal prostaglandin E(2) synthase-1 inhibitors. |
Bioorg Med Chem Lett 24: 4838-44 (2014) | Glenmark Pharmaceuticals Limited | 2D 3D TSV |
| 25259874 | 62 | Potent heterocyclic ligands for human complement c3a receptor. |
J Med Chem 57: 8459-70 (2014) | The University of Queensland | 2D 3D TSV |
| 25259726 | 44 | Multitarget drug design strategy: quinone-tacrine hybrids designed to block amyloid-ß aggregation and to exert anticholinesterase and antioxidant effects. |
J Med Chem 57: 8576-89 (2014) | Alma Mater Studiorum-University of Bologna | 2D 3D TSV |
| 25259627 | 36 | Structural basis for inhibition of mycobacterial and human adenosine kinase by 7-substituted 7-(Het)aryl-7-deazaadenine ribonucleosides. |
J Med Chem 57: 8268-79 (2014) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 25259513 | 34 | Metabolic stability optimization and metabolite identification of 2,5-thiophene amide 17ß-hydroxysteroid dehydrogenase type 2 inhibitors. |
Eur J Med Chem 87: 203-19 (2014) | Saarland University | 2D 3D TSV |
| 25257911 | 33 | Active compounds from a diverse library of triazolothiadiazole and triazolothiadiazine scaffolds: synthesis, crystal structure determination, cytotoxicity, cholinesterase inhibitory activity, and binding mode analysis. |
Bioorg Med Chem 22: 6163-73 (2014) | Quaid-i-Azam University | 2D 3D TSV |
| 25255434 | 84 | Novel sulfonamides bearing pyrrole and pyrrolopyrimidine moieties as carbonic anhydrase inhibitors: Synthesis, cytotoxic activity and molecular modeling. |
Eur J Med Chem 87: 186-96 (2014) | King Saud University | 2D 3D TSV |
| 25255433 | 2 | Design, synthesis, in silico molecular docking and biological evaluation of novel oxadiazole based thiazolidine-2,4-diones bis-heterocycles as PPAR-¿ agonists. |
Eur J Med Chem 87: 175-85 (2014) | Jamia Hamdard (Hamdard University) | 2D 3D TSV |
| 25255388 | 144 | Discovery of N-substituted oseltamivir derivatives as potent and selective inhibitors of H5N1 influenza neuraminidase. |
J Med Chem 57: 8445-58 (2014) | Shandong University | 2D 3D TSV |
| 25255326 | 2 | Total synthesis and antibacterial testing of the A54556 cyclic acyldepsipeptides isolated from Streptomyces hawaiiensis. |
J Nat Prod 77: 2170-81 (2014) | University of Toronto | 2D 3D TSV |
| 25255283 | 88 | Discovery and characterization of MAPK-activated protein kinase-2 prevention of activation inhibitors. |
J Med Chem 58: 278-93 (2015) | AstraZeneca | 2D 3D TSV |
| 25255039 | 45 | Extending the structure-activity relationship of anthranilic acid derivatives as farnesoid X receptor modulators: development of a highly potent partial farnesoid X receptor agonist. |
J Med Chem 57: 8035-55 (2014) | Goethe-University Frankfurt | 2D 3D TSV |
| 25254961 | 32 | Optimized protein kinase C¿ (PKC¿) inhibitors reveal only modest anti-inflammatory efficacy in a rodent model of arthritis. |
J Med Chem 58: 333-46 (2015) | AbbVie Bioresearch Center | 2D 3D TSV |
| 25254640 | 64 | Discovery of 2-[5-(4-Fluorophenylcarbamoyl)pyridin-2-ylsulfanylmethyl]phenylboronic Acid (SX-517): Noncompetitive Boronic Acid Antagonist of CXCR1 and CXCR2. |
J Med Chem 57: 8378-97 (2014) | Syntrix Biosystems | 2D 3D TSV |
| 25254502 | 27 | Binding modes of reverse fosmidomycin analogs toward the antimalarial target IspC. |
J Med Chem 57: 8827-38 (2014) | Heinrich Heine Universit£t | 2D 3D TSV |
| 25254302 | 44 | Structural insights into carbonic anhydrase IX isoform specificity of carbohydrate-based sulfamates. |
J Med Chem 57: 8635-45 (2014) | Griffith University | 2D 3D TSV |
| 25252784 | 3 | Development ofaGlcN(1¿1)aMan-based lipid A mimetics as a novel class of potent Toll-like receptor 4 agonists. |
J Med Chem 57: 8056-71 (2014) | University of Natural Resources and Life Sciences | 2D 3D TSV |
| 25250825 | 1 | Selenorhodamine photosensitizers for photodynamic therapy of P-glycoprotein-expressing cancer cells. |
J Med Chem 57: 8622-34 (2014) | The State University of New York | 2D 3D TSV |
| 25250725 | 295 | Identification and development of biphenyl substituted iminosugars as improved dual glucosylceramide synthase/neutral glucosylceramidase inhibitors. |
J Med Chem 57: 9096-104 (2014) | Leiden University | 2D 3D TSV |
| 25249180 | 146 | The discovery of I-BET726 (GSK1324726A), a potent tetrahydroquinoline ApoA1 up-regulator and selective BET bromodomain inhibitor. |
J Med Chem 57: 8111-31 (2014) | GlaxoSmithKline | 2D 3D TSV |
| 25248682 | 18 | Synthesis of new pyridazino[4,5-b]indol-4-ones and pyridazin-3(2H)-one analogs as DYRK1A inhibitors. |
Bioorg Med Chem Lett 24: 5037-40 (2014) | Universit£ de Nantes | 2D 3D TSV |
| 25248680 | 67 | Synthesis of a novel universal opioid receptor agonist with the 1,3,5-trioxazatriquinane skeleton and its pharmacologies. |
Bioorg Med Chem Lett 24: 4895-8 (2014) | Kitasato University | 2D 3D TSV |
| 25248679 | 85 | Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia. |
Bioorg Med Chem Lett 24: 4884-90 (2014) | Merck Research Laboratories | 2D 3D TSV |
| 25248678 | 66 | Novel ROCK inhibitors for the treatment of pulmonary arterial hypertension. |
Bioorg Med Chem Lett 24: 4812-7 (2014) | Novartis Horsham Research Centre | 2D 3D TSV |
| 25247751 | 4 | Exploitation of cholane scaffold for the discovery of potent and selective farnesoid X receptor (FXR) and G-protein coupled bile acid receptor 1 (GP-BAR1) ligands. |
J Med Chem 57: 8477-95 (2014) | University of Naples"Federico II" | 2D 3D TSV |
| 25247671 | 30 | Development of novel neurokinin 3 receptor (NK3R) selective agonists with resistance to proteolytic degradation. |
J Med Chem 57: 8646-51 (2014) | Kyoto University | 2D 3D TSV |
| 25245672 | 5 | Substituted thieno[2,3-b]thiophenes and related congeners: Synthesis,ß-glucuronidase inhibition activity, crystal structure, and POM analyses. |
Bioorg Med Chem 22: 6715-25 (2014) | King Saud University | 2D 3D TSV |
| 25244355 | 19 | Development of a novel class of mitochondrial ubiquinol-cytochrome c reductase binding protein (UQCRB) modulators as promising antiangiogenic leads. |
J Med Chem 57: 7990-8 (2014) | Yonsei University | 2D 3D TSV |
| 25241927 | 64 | Piperazinyl-oxadiazoles as selective sphingosine-1-phosphate receptor agonists. |
Bioorg Med Chem Lett 24: 4807-11 (2014) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 25241924 | 47 | The design and implementation of a generic lipopeptide scanning platform to enable the identification of 'locally acting' agonists for the apelin receptor. |
Bioorg Med Chem Lett 24: 4871-5 (2014) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25240614 | 6 | The antileishmanial activity of isoforms 6- and 8-selective histone deacetylase inhibitors. |
Bioorg Med Chem Lett 24: 4826-30 (2014) | Georgia Institute of Technology | 2D 3D TSV |
| 25240095 | 24 | Design, synthesis and anti-HIV evaluation of novel diarylnicotinamide derivatives (DANAs) targeting the entrance channel of the NNRTI binding pocket through structure-guided molecular hybridization. |
Eur J Med Chem 87: 52-62 (2014) | Shandong University | 2D 3D TSV |
| 25240094 | 42 | Novel styryl-indoles as small molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): Synthesis and biological evaluation. |
Eur J Med Chem 87: 39-51 (2014) | Cardiff University | 2D 3D TSV |
| 25238611 | 9 | Structure-based design of potent and selective Leishmania N-myristoyltransferase inhibitors. |
J Med Chem 57: 8664-70 (2014) | Imperial College | 2D 3D TSV |
| 25238555 | 3 | Repurposing the antihistamine terfenadine for antimicrobial activity against Staphylococcus aureus. |
J Med Chem 57: 8540-62 (2014) | University of Rochester Medical Center | 2D 3D TSV |
| 25238443 | 11 | Synthesis, structure-activity relationship studies, and antibacterial evaluation of 4-chromanones and chalcones, as well as olympicin A and derivatives. |
J Med Chem 57: 8398-420 (2014) | University of Hawaii at Hilo | 2D 3D TSV |
| 25238284 | 52 | Identification of a novel aminotetralin class of HDAC6 and HDAC8 selective inhibitors. |
J Med Chem 57: 8026-34 (2014) | Roche Pharmaceutical Research and Early Development | 2D 3D TSV |
| 25234128 | 59 | Structure-activity profiles of novel 6-substituted pyrrolo[2,3-d]pyrimidine thienoyl antifolates with modified amino acids for cellular uptake by folate receptorsa andß and the proton-coupled folate transporter. |
J Med Chem 57: 8152-66 (2014) | Duquesne University | 2D 3D TSV |
| 25233084 | 247 | ST7612AA1, a thioacetate-¿(¿-lactam carboxamide) derivative selected from a novel generation of oral HDAC inhibitors. |
J Med Chem 57: 8358-77 (2014) | R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. | 2D 3D TSV |
| 25232969 | 23 | Chalcones as positive allosteric modulators ofa7 nicotinic acetylcholine receptors: a new target for a privileged structure. |
Eur J Med Chem 86: 724-39 (2014) | Instituto de Qu£mica M£dica (IQM-CSIC) | 2D 3D TSV |
| 25232968 | 22 | Identification of two novel RET kinase inhibitors through MCR-based drug discovery: design, synthesis and evaluation. |
Eur J Med Chem 86: 714-23 (2014) | The University of Arizona | 2D 3D TSV |
| 25232966 | 52 | Efficient synthesis of hexahydroindenopyridines and their potential as melatoninergic ligands. |
Eur J Med Chem 86: 700-9 (2014) | Universidad de Valencia | 2D 3D TSV |
| 25229643 | 76 | Synthesis and structure-activity relationship studies of N-benzyl-2-phenylpyrimidin-4-amine derivatives as potent USP1/UAF1 deubiquitinase inhibitors with anticancer activity against nonsmall cell lung cancer. |
J Med Chem 57: 8099-110 (2014) | National Center for Advancing Translational Sciences | 2D 3D TSV |
| 25227162 | 14 | 1,2-Diaryl-2-hydroxyiminoethanones as dual COX-1 and ß-amyloid aggregation inhibitors: biological evaluation and in silico study. |
Chem Biol Drug Des 85: 494-503 (2015) | Mazandaran University of Medical Sciences | 2D 3D TSV |
| 25226236 | 19 | Discovery, biological evaluation, and crystal structure of a novel nanomolar selective butyrylcholinesterase inhibitor. |
J Med Chem 57: 8167-79 (2014) | University of Ljubljana | 2D 3D TSV |
| 25226087 | 6 | Cyclic adenosine 5'-diphosphate ribose analogs without a"southern" ribose inhibit ADP-ribosyl cyclase-hydrolase CD38. |
J Med Chem 57: 8517-29 (2014) | University of Bath | 2D 3D TSV |
| 25225606 | 22 | Structure-based optimization of the piperazino-containing 1,3-disubstituted ureas affording sub-nanomolar inhibitors of soluble epoxide hydrolase. |
Medchemcomm 379-384 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 25224652 | 6 | Reversible Covalent Inhibition of eEF-2K by Carbonitriles. |
Chembiochem 15: 2435-42 (2014) | The University of Texas at Austin | 2D 3D TSV |
| 25222504 | 5 | Synthesis and xanthine oxidase inhibitory activity of 5,6-dihydropyrazolo/pyrazolo[1,5-c]quinazoline derivatives. |
Bioorg Chem 57: 57-64 (2014) | Central University of Punjab | 2D 3D TSV |
| 25222040 | 6 | Biotransformation of huperzine A by a fungal endophyte of Huperzia serrata furnished sesquiterpenoid-alkaloid hybrids. |
J Nat Prod 77: 2054-9 (2014) | Zhejiang University | 2D 3D TSV |
| 25221667 | 66 | Discovery and Characterization of ML398, a Potent and Selective Antagonist of the D4 Receptor with in Vivo Activity. |
ACS Med Chem Lett 5: 1060-4 (2014) | Vanderbilt University | 2D 3D TSV |
| 25221666 | 20 | Acyclic tethers mimicking subunits of polysaccharide ligands: selectin antagonists. |
ACS Med Chem Lett 5: 1054-9 (2014) | Institut de Recherches Cliniques de Montr£al (IRCM) | 2D 3D TSV |
| 25221665 | 33 | Structure-Based Design of a Potent, Selective, and Brain Penetrating PDE2 Inhibitor with Demonstrated Target Engagement. |
ACS Med Chem Lett 5: 1049-53 (2014) | Janssen Pharmaceutica NV | 2D 3D TSV |
| 25221664 | 21 | Structure-Based Design of Reactive Nucleosides for Site-Specific Modification of the A2A Adenosine Receptor. |
ACS Med Chem Lett 5: 1043-8 (2014) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 25221663 | 41 | C-terminal residue optimization and fragment merging: discovery of a potent Peptide-hybrid inhibitor of dengue protease. |
ACS Med Chem Lett 5: 1037-42 (2014) | Heidelberg University | 2D 3D TSV |
| 25221662 | 24 | Novel cyclic biphalin analogue with improved antinociceptive properties. |
ACS Med Chem Lett 5: 1032-6 (2014) | Universit£ di Chieti-Pescara"G. d'Annunzio" | 2D 3D TSV |
| 25221659 | 13 | Potent, long-acting cyclopentane-1,3-Dione thromboxane (A2)-receptor antagonists. |
ACS Med Chem Lett 5: 1015-20 (2014) | University of Pennsylvania | 2D 3D TSV |
| 25221658 | 6 | Multiple fragment docking and linking in primary and secondary pockets of dopamine receptors. |
ACS Med Chem Lett 5: 1010-4 (2014) | Gedeon Richter Plc | 2D 3D TSV |
| 25221657 | 3 | 2-Phenylindole and Arylsulphonamide: Novel Scaffolds Bactericidal against Mycobacterium tuberculosis. |
ACS Med Chem Lett 5: 1005-9 (2014) | AstraZeneca | 2D 3D TSV |
| 25221656 | 116 | Exploration of 3-Aminoazetidines as Triple Reuptake Inhibitors by Bioisosteric Modification of 3-a-Oxyazetidine. |
ACS Med Chem Lett 5: 999-1004 (2014) | Korea University | 2D 3D TSV |
| 25221655 | 27 | Structure-Based Design and Synthesis of Potent Cyclic Peptides Inhibiting the YAP-TEAD Protein-Protein Interaction. |
ACS Med Chem Lett 5: 993-8 (2014) | Roche Innovation Center Shanghai | 2D 3D TSV |
| 25221654 | 39 | Design and Synthesis of Orally Bioavailable Benzimidazole Reverse Amides as Pan RAF Kinase Inhibitors. |
ACS Med Chem Lett 5: 989-92 (2014) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25221653 | 24 | Propyphenazone-based analogues as prodrugs and selective cyclooxygenase-2 inhibitors. |
ACS Med Chem Lett 5: 983-8 (2014) | Minia University | 2D 3D TSV |
| 25221651 | 12 | Novel antiproliferative chimeric compounds with marked histone deacetylase inhibitory activity. |
ACS Med Chem Lett 5: 973-8 (2014) | University of Bologna | 2D 3D TSV |
| 25221650 | 1 | Impact of Stereochemistry on Ligand Binding: X-ray Crystallographic Analysis of an Epoxide-Based HIV Protease Inhibitor. |
ACS Med Chem Lett 5: 968-72 (2014) | University of Trieste | 2D 3D TSV |
| 25221649 | 47 | Hydroxybenzothiophene Ketones Are Efficient Pre-mRNA Splicing Modulators Due to Dual Inhibition of Dyrk1A and Clk1/4. |
ACS Med Chem Lett 5: 963-7 (2014) | Saarland University | 2D 3D TSV |
| 25219901 | 19 | Indolinone based LRRK2 kinase inhibitors with a key hydrogen bond. |
Bioorg Med Chem Lett 24: 4630-7 (2014) | Technische Universit£t Darmstadt | 2D 3D TSV |
| 25219899 | 16 | Synthesis, biological evaluation and docking analysis of 3-methyl-1-phenylchromeno[4,3-c]pyrazol-4(1H)-ones as potential cyclooxygenase-2 (COX-2) inhibitors. |
Bioorg Med Chem Lett 24: 4638-42 (2014) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
| 25218912 | 103 | Design, synthesis, and biological evaluation of 1, 3-disubstituted-pyrazole derivatives as new class I and IIb histone deacetylase inhibitors. |
Eur J Med Chem 86: 639-52 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25218910 | 16 | Development of 2-(4-oxoquinazolin-3(4H)-yl)acetamide derivatives as novel enoyl-acyl carrier protein reductase (InhA) inhibitors for the treatment of tuberculosis. |
Eur J Med Chem 86: 613-27 (2014) | Birla Institute of Technology | 2D 3D TSV |
| 25218909 | 13 | Anti-tyrosinase, antioxidant, and antibacterial activities of novel 5-hydroxy-4-acetyl-2,3-dihydronaphtho[1,2-b]furans. |
Eur J Med Chem 86: 605-12 (2014) | Yeungnam University | 2D 3D TSV |
| 25218907 | 18 | Studies on molecular properties prediction and histamine H3 receptor affinities of novel ligands with uracil-based motifs. |
Eur J Med Chem 86: 578-88 (2014) | University of Catania | 2D 3D TSV |
| 25217335 | 1 | Radiosynthesis and biological evaluation of a novel enoyl-ACP reductase inhibitor for Staphylococcus aureus. |
Eur J Med Chem 88: 66-73 (2014) | Stony Brook University | 2D 3D TSV |
| 25216392 | 5 | Design, synthesis, biological screening, and molecular docking studies of piperazine-derived constrained inhibitors of DPP-IV for the treatment of type 2 diabetes. |
Chem Biol Drug Des 85: 439-46 (2015) | CSIR-Central Drug Research Institute | 2D 3D TSV |
| 25210872 | 13 | Development of inhibitors of the 2C-methyl-D-erythritol 4-phosphate (MEP) pathway enzymes as potential anti-infective agents. |
J Med Chem 57: 9740-63 (2014) | University of Groningen | 2D 3D TSV |
| 25210858 | 96 | Design, synthesis, and evaluation of nonretinoid retinol binding protein 4 antagonists for the potential treatment of atrophic age-related macular degeneration and Stargardt disease. |
J Med Chem 57: 7731-57 (2014) | Albany Molecular Research, Inc. | 2D 3D TSV |
| 25208139 | 40 | Discovery of 5-chloro-4-((1-(5-chloropyrimidin-2-yl)piperidin-4-yl)oxy)-1-(2-fluoro-4-(methylsulfonyl)phenyl)pyridin-2(1H)-one (BMS-903452), an antidiabetic clinical candidate targeting GPR119. |
J Med Chem 57: 7499-508 (2014) | Departments of Discovery Chemistry, Metabolic Diseases, Lead Evaluation, Computer-Assisted Drug Design, Discovery Toxicology, Exploratory Clinical and Translational Research, and Pharmaceutical Candi | 2D 3D TSV |
| 25205193 | 10 | Synthesis and acetylcholinesterase inhibitory activity of Mannich base derivatives flavokawain B. |
Bioorg Med Chem Lett 24: 4749-53 (2014) | Hunan University | 2D 3D TSV |
| 25205190 | 66 | Discovery of (E)-5-(benzylideneamino)-1H-benzo[d]imidazol-2(3H)-one derivatives as inhibitors for PTK6. |
Bioorg Med Chem Lett 24: 4659-63 (2014) | Yonsei University | 2D 3D TSV |
| 25203780 | 10 | Novel semicarbazides and ureas of primaquine with bulky aryl or hydroxyalkyl substituents: synthesis, cytostatic and antioxidative activity. |
Eur J Med Chem 86: 502-14 (2014) | University of Zagreb | 2D 3D TSV |
| 25203779 | 2 | Novel sulfonyl(thio)urea derivatives act efficiently both as insulin secretagogues and as insulinomimetic compounds. |
Eur J Med Chem 86: 491-501 (2014) | Universidade Federal de Santa Catarina | 2D 3D TSV |
| 25203778 | 1 | Discovery of small molecular inhibitors targeting HIV-1 gp120-CD4 interaction drived from BMS-378806. |
Eur J Med Chem 86: 481-90 (2014) | Shandong University | 2D 3D TSV |
| 25203462 | 49 | Discovery of 2-pyridylureas as glucokinase activators. |
J Med Chem 57: 8180-6 (2014) | Array BioPharma Inc | 2D 3D TSV |
| 25200979 | 31 | Design, synthesis and pharmacological evaluation of 2-(thiazol-2-amino)-4-arylaminopyrimidines as potent anaplastic lymphoma kinase (ALK) inhibitors. |
Eur J Med Chem 86: 438-48 (2014) | Shanghai Institute of Materia Medica (SIMM) | 2D 3D TSV |
| 25198831 | 14 | Exploring human parainfluenza virus type-1 hemagglutinin-neuraminidase as a target for inhibitor discovery. |
J Med Chem 57: 7613-23 (2014) | Griffith University | 2D 3D TSV |
| 25198388 | 47 | The design and synthesis of potent and selective inhibitors of Trypanosoma brucei glycogen synthase kinase 3 for the treatment of human african trypanosomiasis. |
J Med Chem 57: 7536-49 (2014) | University of Dundee | 2D 3D TSV |
| 25195011 | 24 | A unique inhibitor binding site in ER K1/2 is associated with slow binding kinetics |
Nat Chem Biol 10: 853-860 (2014) | George Washington University | 2D 3D TSV |
| 25194929 | 28 | Quinazoline-sulfonamides with potent inhibitory activity against thea-carbonic anhydrase from Vibrio cholerae. |
Bioorg Med Chem 22: 5133-40 (2014) | Salman Bin Abdulaziz University | 2D 3D TSV |
| 25193297 | 91 | Michael acceptor approach to the design of new salvinorin A-based high affinity ligands for the kappa-opioid receptor. |
Eur J Med Chem 85: 818-29 (2014) | University of Mississippi | 2D 3D TSV |
| 25193232 | 32 | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479. |
Bioorg Med Chem Lett 24: 4714-23 (2014) | Genentech Inc | 2D 3D TSV |
| 25193229 | 102 | Alpha-ethyltryptamines as dual dopamine-serotonin releasers. |
Bioorg Med Chem Lett 24: 4754-8 (2014) | Research Triangle Institute | 2D 3D TSV |
| 25192810 | 66 | Thieno[2,3-d]pyrimidine-2-carboxamides bearing a carboxybenzene group at 5-position: highly potent, selective, and orally available MMP-13 inhibitors interacting with the S1¿ binding site. |
Bioorg Med Chem 22: 5487-505 (2014) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25192493 | 57 | Structure-guided, single-point modifications in the phosphinic dipeptide structure yield highly potent and selective inhibitors of neutral aminopeptidases. |
J Med Chem 57: 8140-51 (2014) | University of Athens | 2D 3D TSV |
| 25192059 | 36 | Semisynthetic analogues of toxiferine I and their pharmacological properties ata7 nAChRs, muscle-type nAChRs, and the allosteric binding site of muscarinic M2 receptors. |
J Nat Prod 77: 2006-13 (2014) | The German University in Cairo | 2D 3D TSV |
| 25191940 | 48 | Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1d ande with nanomolar inhibitory activity on cancer cell proliferation. |
J Med Chem 57: 7933-46 (2014) | Ulm University Hospital | 2D 3D TSV |
| 25190468 | 15 | Assessment of antidotal efficacy of cholinesterase reactivators against paraoxon: In vitro reactivation kinetics and physicochemical properties. |
Bioorg Med Chem Lett 24: 4743-8 (2014) | Pt. Ravishankar Shukla University | 2D 3D TSV |
| 25189690 | 94 | Design, synthesis and biological evaluation of novel 6H-benzo[c]chromen-6-one, and 7,8,9,10-tetrahydro-benzo[c]chromen-6-one derivatives as potential cholinesterase inhibitors. |
Bioorg Med Chem 22: 5141-54 (2014) | Eastern Mediterranean University | 2D 3D TSV |
| 25187277 | 136 | Discovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists. |
Bioorg Med Chem 22: 5428-45 (2014) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25184810 | 4 | Structural evidence of N6-isopentenyladenosine as a new ligand of farnesyl pyrophosphate synthase. |
J Med Chem 57: 7798-803 (2014) | Universit£ degli Studi di Salerno | 2D 3D TSV |
| 25182963 | 40 | Synthesis of non-prenyl analogues of baccharin as selective and potent inhibitors for aldo-keto reductase 1C3. |
Bioorg Med Chem 22: 5220-33 (2014) | Gifu Pharmaceutical University | 2D 3D TSV |
| 25182962 | 45 | Pyrazolone-quinazolone hybrids: a novel class of human 4-hydroxyphenylpyruvate dioxygenase inhibitors. |
Bioorg Med Chem 22: 5194-211 (2014) | Central China Normal University | 2D 3D TSV |
| 25182565 | 21 | Design, synthesis and evaluation of novel HDAC inhibitors as potential antitumor agents. |
Bioorg Med Chem Lett 24: 4768-72 (2014) | Shanghai Huilun Life Sciences & Technology Co. Ltd | 2D 3D TSV |
| 25182564 | 38 | Synthesis and evaluation of arylpiperazines derivatives of 3,5-dioxo-(2H,4H)-1,2,4-triazine as 5-HT1AR ligands. |
Bioorg Med Chem Lett 24: 4759-62 (2014) | Stony Brook University | 2D 3D TSV |
| 25181676 | 40 | N-formylpyrazolines and N-benzoylpyrazolines as novel inhibitors of mammalian cathepsin B and cathepsin H. |
Bioorg Chem 57: 43-50 (2014) | Kurukshetra University | 2D 3D TSV |
| 25181013 | 4 | Synthesis and biological evaluation of novel allosteric enhancers of the A1 adenosine receptor based on 2-amino-3-(4'-chlorobenzoyl)-4-substituted-5-arylethynyl thiophene. |
J Med Chem 57: 7673-86 (2014) | Universit£ di Ferrara | 2D 3D TSV |
| 25180768 | 11 | 2013 Philip S. Portoghese Medicinal Chemistry Lectureship: drug discovery targeting allosteric sites. |
J Med Chem 57: 7485-98 (2014) | Vanderbilt University Medical Center | 2D 3D TSV |
| 25180654 | 29 | Design, synthesis, and evaluation of novel imidazo[1,2-a][1,3,5]triazines and their derivatives as focal adhesion kinase inhibitors with antitumor activity. |
J Med Chem 58: 237-51 (2015) | University of Paris | 2D 3D TSV |
| 25179681 | 81 | Design, synthesis, and structure-activity and structure-pharmacokinetic relationship studies of novel [6,6,5] tricyclic fused oxazolidinones leading to the discovery of a potent, selective, and orally bioavailable FXa inhibitor. |
J Med Chem 57: 7770-91 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25178155 | 40 | Discovery of dual death-associated protein related apoptosis inducing protein kinase 1 and 2 inhibitors by a scaffold hopping approach. |
J Med Chem 57: 7624-43 (2014) | KU Leuven | 2D 3D TSV |
| 25176330 | 14 | Substituted indoles as selective protease activated receptor 4 (PAR-4) antagonists: Discovery and SAR of ML354. |
Bioorg Med Chem Lett 24: 4708-13 (2014) | Northwest Agriculture & Forestry University | 2D 3D TSV |
| 25176194 | 69 | The discovery of benzenesulfonamide-based potent and selective inhibitors of voltage-gated sodium channel Na(v)1.7. |
Bioorg Med Chem Lett 24: 4397-401 (2014) | Xenon Pharmaceuticals Inc | 2D 3D TSV |
| 25176190 | 25 | The discovery of potent glycine transporter type-2 inhibitors: design and synthesis of phenoxymethylbenzamide derivatives. |
Bioorg Med Chem Lett 24: 4603-6 (2014) | Toray Industries Inc | 2D 3D TSV |
| 25176189 | 7 | Design, synthesis and biological evaluation ofß-boswellic acid based HDAC inhibitors as inducers of cancer cell death. |
Bioorg Med Chem Lett 24: 4729-34 (2014) | CSIR-Indian Institute of Integrative Medicine | 2D 3D TSV |
| 25176013 | 70 | Potent 11ß-hydroxylase inhibitors with inverse metabolic stability in human plasma and hepatic S9 fractions to promote wound healing. |
J Med Chem 57: 7811-7 (2014) | Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
| 25173853 | 50 | Synthesis, biological activity and mechanistic insights of 1-substituted cyclopropylamine derivatives: a novel class of irreversible inhibitors of histone demethylase KDM1A. |
Eur J Med Chem 86: 352-63 (2014) | European Institute of Oncology | 2D 3D TSV |
| 25173590 | 20 | Design, synthesis and pharmacological evaluation of 6,7-disubstituted-4-phenoxyquinoline derivatives as potential antitumor agents. |
Bioorg Chem 57: 30-42 (2014) | Shenyang Pharmaceutical University, Ministry of Education | 2D 3D TSV |
| 25172422 | 6 | ASK1 pharmacophore model derived from diverse classes of inhibitors. |
Bioorg Med Chem Lett 24: 4418-23 (2014) | NAS of Ukraine | 2D 3D TSV |
| 25172421 | 26 | Design, synthesis and molecular modeling of biquinoline-pyridine hybrids as a new class of potential EGFR and HER-2 kinase inhibitors. |
Bioorg Med Chem Lett 24: 4472-6 (2014) | Nanjing University | 2D 3D TSV |
| 25172149 | 36 | Design, synthesis and in vitro pharmacology of GluK1 and GluK3 antagonists. Studies towards the design of subtype-selective antagonists through 2-carboxyethyl-phenylalanines with substituents interacting with non-conserved residues in the GluK binding sites. |
Bioorg Med Chem 22: 5368-77 (2014) | University of Copenhagen | 2D 3D TSV |
| 25171780 | 7 | Design, synthesis, and structure-activity relationships of novel benzothiazole derivatives bearing the ortho-hydroxy N-carbamoylhydrazone moiety as potent antitumor agents. |
Eur J Med Chem 86: 257-69 (2014) | Key Laboratory of Structure-Based Drug Design and Discovery (Shenyang Pharmaceutical University) Ministry of Education | 2D 3D TSV |
| 25168748 | 37 | Anion inhibition study of theß-class carbonic anhydrase (PgiCAb) from the oral pathogen Porphyromonas gingivalis. |
Bioorg Med Chem Lett 24: 4402-6 (2014) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25168746 | 28 | Synthesis and analgesic activity of alkylated, reduced and constrained oligoheterocyclic peptidomimetic analogs of Leu-enkephalin. |
Bioorg Med Chem Lett 24: 4482-5 (2014) | University of Monastir | 2D 3D TSV |
| 25168745 | 64 | Discovery of a new family of carbonic anhydrases in the malaria pathogen Plasmodium falciparum--the¿-carbonic anhydrases. |
Bioorg Med Chem Lett 24: 4389-96 (2014) | Istituto di Bioscienze e Biorisorse (IBBR)-CNR | 2D 3D TSV |
| 25167370 | 75 | Transition state mimetics of the Plasmodium export element are potent inhibitors of Plasmepsin V from P. falciparum and P. vivax. |
J Med Chem 57: 7644-62 (2014) | The Walter and Eliza Hall Institute of Medical Research | 2D 3D TSV |
| 25166285 | 17 | Structure-guided design and optimization of small molecules targeting the protein-protein interaction between the von Hippel-Lindau (VHL) E3 ubiquitin ligase and the hypoxia inducible factor (HIF) alpha subunit with in vitro nanomolar affinities. |
J Med Chem 57: 8657-63 (2014) | University of Dundee | 2D 3D TSV |
| 25164763 | 95 | Design, synthesis and biological evaluation of 4-fluoropyrrolidine-2-carbonitrile and octahydrocyclopenta[b]pyrrole-2-carbonitrile derivatives as dipeptidyl peptidase IV inhibitors. |
Eur J Med Chem 86: 242-56 (2014) | Shanghai Institute of Materia Medica | 2D 3D TSV |
| 25164761 | 41 | Synthesis and pharmacological investigation of aralkyl diamine derivatives as potential triple reuptake inhibitors. |
Eur J Med Chem 86: 219-34 (2014) | Shanghai Institute of Pharmaceutical Industry | 2D 3D TSV |
| 25162837 | 2 | Modification on ursodeoxycholic acid (UDCA) scaffold. discovery of bile acid derivatives as selective agonists of cell-surface G-protein coupled bile acid receptor 1 (GP-BAR1). |
J Med Chem 57: 7687-701 (2014) | University of Naples"Federico II" | 2D 3D TSV |
| 25162754 | 2 | Structure-based optimization of a peptidyl inhibitor against calcineurin-nuclear factor of activated T cell (NFAT) interaction. |
J Med Chem 57: 7792-7 (2014) | The Ohio State University | 2D 3D TSV |
| 25162172 | 51 | Diarylureas as allosteric modulators of the cannabinoid CB1 receptor: structure-activity relationship studies on 1-(4-chlorophenyl)-3-{3-[6-(pyrrolidin-1-yl)pyridin-2-yl]phenyl}urea (PSNCBAM-1). |
J Med Chem 57: 7758-69 (2014) | Research Triangle Institute | 2D 3D TSV |
| 25159123 | 27 | Biochemical evaluation of virtual screening methods reveals a cell-active inhibitor of the cancer-promoting phosphatases of regenerating liver. |
Eur J Med Chem 88: 89-100 (2014) | European Molecular Biology Laboratory | 2D 3D TSV |
| 25157640 | 12 | Identification of N-[(5-{[(4-methylphenyl)sulfonyl]amino}-3-(trifluoroacetyl)-1H-indol-1-yl)acetyl]-l-leucine (NTRC-824), a neurotensin-like nonpeptide compound selective for the neurotensin receptor type 2. |
J Med Chem 57: 7472-7 (2014) | Research Triangle Institute | 2D 3D TSV |
| 25156906 | 36 | Conjugation of a nonspecific antiviral sapogenin with a specific HIV fusion inhibitor: a promising strategy for discovering new antiviral therapeutics. |
J Med Chem 57: 7342-54 (2014) | Beijing Institute of Pharmacology & Toxicology | 2D 3D TSV |
| 25156301 | 8 | Shogaol-huprine hybrids: dual antioxidant and anticholinesterase agents withß-amyloid and tau anti-aggregating properties. |
Bioorg Med Chem 22: 5298-307 (2014) | Universitat de Barcelona | 2D 3D TSV |
| 25156300 | 48 | Attachment of carbohydrates to methoxyaryl moieties leads to highly selective inhibitors of the cancer associated carbonic anhydrase isoforms IX and XII. |
Bioorg Med Chem 22: 5308-14 (2014) | Universidad Nacional de La Plata | 2D 3D TSV |
| 25155913 | 32 | Optimization of physicochemical properties and safety profile of novel bacterial topoisomerase type II inhibitors (NBTIs) with activity against Pseudomonas aeruginosa. |
Bioorg Med Chem 22: 5392-409 (2014) | AstraZeneca | 2D 3D TSV |
| 25155387 | 11 | Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease. |
Bioorg Med Chem Lett 24: 4444-9 (2014) | IDENIX PHARMACEUTICALS LLC | 2D 3D TSV |
| 25155385 | 10 | Discovery of novel non-carboxylic acid 5-amino-4-cyanopyrazole derivatives as potent and highly selective LPA1R antagonists. |
Bioorg Med Chem Lett 24: 4450-4 (2014) | Hoffmann-La Roche Inc | 2D 3D TSV |
| 25155384 | 16 | Discovery of a new class of cinnamyl-triazole as potent and selective inhibitors of aromatase (cytochrome P450 19A1). |
Bioorg Med Chem Lett 24: 4586-9 (2014) | McMaster University | 2D 3D TSV |
| 25152999 | 9 | 20(S)-Ginsenoside Rh2 as aldose reductase inhibitor from Panax ginseng. |
Bioorg Med Chem Lett 24: 4407-9 (2014) | Kyushu University | 2D 3D TSV |
| 25152071 | 2 | Inhibition of group IVA cytosolic phospholipase A2 by thiazolyl ketones in vitro, ex vivo, and in vivo. |
J Med Chem 57: 7523-35 (2014) | University of Athens | 2D 3D TSV |
| 25150091 | 2 | Design, synthesis and evaluation of 2-aminothiazole derivatives as sphingosine kinase inhibitors. |
Bioorg Med Chem 22: 5354-67 (2014) | Goethe University | 2D 3D TSV |
| 25150090 | 2 | Arylazolyl(azinyl)thioacetanilides. Part 16: Structure-based bioisosterism design, synthesis and biological evaluation of novel pyrimidinylthioacetanilides as potent HIV-1 inhibitors. |
Bioorg Med Chem 22: 5290-7 (2014) | Shandong University | 2D 3D TSV |
| 25150089 | 42 | Design and discovery of 5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide inhibitors of HIV-1 integrase. |
Bioorg Med Chem 22: 5446-53 (2014) | Shandong University | 2D 3D TSV |
| 25149511 | 34 | Novel Roflumilast analogs as soft PDE4 inhibitors. |
Bioorg Med Chem Lett 24: 4594-7 (2014) | Amakem N.V. | 2D 3D TSV |
| 25149509 | 30 | Combination of chiral linkers with thiophenecarboximidamide heads to improve the selectivity of inhibitors of neuronal nitric oxide synthase. |
Bioorg Med Chem Lett 24: 4504-10 (2014) | Northwestern University | 2D 3D TSV |
| 25149506 | 20 | Discovery and pharmacological profile of new hydrophilic 5-HT(4) receptor antagonists. |
Bioorg Med Chem Lett 24: 4598-602 (2014) | University of Oslo | 2D 3D TSV |
| 25148392 | 59 | Small-molecule inhibitors of 25-hydroxyvitamin D-24-hydroxylase (CYP24A1): synthesis and biological evaluation. |
J Med Chem 57: 7702-15 (2014) | Cardiff University | 2D 3D TSV |
| 25148209 | 58 | Discovery of (S)-1-(1-(Imidazo[1,2-a]pyridin-6-yl)ethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazine (volitinib) as a highly potent and selective mesenchymal-epithelial transition factor (c-Met) inhibitor in clinical development for treatment of cancer. |
J Med Chem 57: 7577-89 (2014) | Hutchison MediPharma Limited | 2D 3D TSV |
| 25148100 | 9 | Discovery of novel highly potent hepatitis C virus NS5A inhibitor (AV4025). |
J Med Chem 57: 7716-30 (2014) | Alla Chem LLC | 2D 3D TSV |
| 25147929 | 105 | Development of a highly potent, novel M5 positive allosteric modulator (PAM) demonstrating CNS exposure: 1-((1H-indazol-5-yl)sulfoneyl)-N-ethyl-N-(2-(trifluoromethyl)benzyl)piperidine-4-carboxamide (ML380). |
J Med Chem 57: 7804-10 (2014) | Vanderbilt University Medical Center | 2D 3D TSV |
| 25147616 | 92 | Carbonic Anhydrase Inhibition with Benzenesulfonamides and Tetrafluorobenzenesulfonamides Obtained via Click Chemistry. |
ACS Med Chem Lett 5: 927-30 (2014) | Universit£ di Sassari | 2D 3D TSV |
| 25147615 | 108 | Discovery of Imigliptin, a Novel Selective DPP-4 Inhibitor for the Treatment of Type 2 Diabetes. |
ACS Med Chem Lett 5: 921-6 (2014) | XuanZhu Pharma | 2D 3D TSV |
| 25147612 | 25 | Modulation of Activity Profiles for Largazole-Based HDAC Inhibitors through Alteration of Prodrug Properties. |
ACS Med Chem Lett 5: 905-10 (2014) | University of Florida | 2D 3D TSV |
| 25147609 | 18 | Conformationally Restricted GABA with Bicyclo[3.1.0]hexane Backbone as the First Highly Selective BGT-1 Inhibitor. |
ACS Med Chem Lett 5: 889-93 (2014) | Hokkaido University | 2D 3D TSV |
| 25147605 | 52 | Synthesis and Pharmacology of a Novel¿ Opioid Receptor (KOR) Agonist with a 1,3,5-Trioxazatriquinane Skeleton. |
ACS Med Chem Lett 5: 868-72 (2014) | Kitasato University | 2D 3D TSV |
| 25147603 | 39 | Discovery of a Potent Analgesic NOP and Opioid Receptor Agonist: Cebranopadol. |
ACS Med Chem Lett 5: 857-62 (2014) | Pharmacokinetics | 2D 3D TSV |
| 25147602 | 43 | Discovery of Spiro[cyclohexane-dihydropyrano[3,4-b]indole]-amines as Potent NOP and Opioid Receptor Agonists. |
ACS Med Chem Lett 5: 851-6 (2014) | Pharmacokinetics | 2D 3D TSV |
| 25147601 | 58 | Repurposing cryptosporidium inosine 5'-monophosphate dehydrogenase inhibitors as potential antibacterial agents. |
ACS Med Chem Lett 5: 846-50 (2014) | Brandeis University | 2D 3D TSV |
| 25147600 | 8 | ROR¿t Modulators Are Potentially Useful for the Treatment of the Immune-Mediated Inflammatory Diseases. |
ACS Med Chem Lett 5: 844-5 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25147598 | 4 | MoGAT-2 Inhibitors May Provide Effective Treatment for Hypertriglyceridemia. |
ACS Med Chem Lett 5: 840-1 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25147154 | 18 | Design, synthesis and molecular docking study of novel quinoxalin-2(1H)-ones as anti-tumor active agents with inhibition of tyrosine kinase receptor and studying their cyclooxygenase-2 activity. |
Eur J Med Chem 86: 122-32 (2014) | Dokki | 2D 3D TSV |
| 25147152 | 1 | Kaempferol, a potential cytostatic and cure for inflammatory disorders. |
Eur J Med Chem 86: 103-12 (2014) | NPO-International Laboratory of Biochemistry | 2D 3D TSV |
| 25147151 | 20 | Sulfamates of methyl triterpenoates are effective and competitive inhibitors of carbonic anhydrase II. |
Eur J Med Chem 86: 95-102 (2014) | Martin-Luther-Universit£t Halle-Wittenberg | 2D 3D TSV |
| 25147147 | 101 | Identification and pharmacological characterization of 3,6-diazabicyclo[3.1.1]heptane-3-carboxamides as novel ligands for the ?4?2 and ?6/?3?2?3 nicotinic acetylcholine receptors (nAChRs). |
Eur J Med Chem 86: 60-74 (2014) | Targacept, Inc. | 2D 3D TSV |
| 25147146 | 9 | 2-Pyridyl thiazoles as novel anti-Trypanosoma cruzi agents: structural design, synthesis and pharmacological evaluation. |
Eur J Med Chem 86: 48-59 (2014) | Universidade Federal de Pernambuco | 2D 3D TSV |
| 25146964 | 12 | Synthesis, biological evaluation, and molecular docking studies of xanthone sulfonamides as ACAT inhibitors. |
Chem Biol Drug Des 85: 394-403 (2015) | Second Military Medical University | 2D 3D TSV |
| 25144524 | 24 | Characterization of two distinct modes of drug binding to human intestinal fatty acid binding protein. |
ACS Chem Biol 9: 2526-34 (2014) | Monash University | 2D 3D TSV |
| 25144111 | 26 | Modular assembly of purine-like bisphosphonates as inhibitors of HIV-1 reverse transcriptase. |
J Med Chem 57: 7435-49 (2014) | McGill University | 2D 3D TSV |
| 25141341 | 1 | Progress in the discovery and development of heat shock protein 90 (Hsp90) inhibitors. |
J Med Chem 57: 8718-28 (2014) | Montclair State University | 2D 3D TSV |
| 25139751 | 35 | Synthesis and structure-activity relationships of novel, potent, orally active hypoxia-inducible factor-1 inhibitors. |
Bioorg Med Chem 22: 5513-29 (2014) | Eisai Co., Ltd | 2D 3D TSV |
| 25139570 | 31 | Synthesis and structure-activity relationships of PI3K/mTOR dual inhibitors from a series of 2-amino-4-methylpyrido[2,3-d]pyrimidine derivatives. |
Bioorg Med Chem Lett 24: 4538-41 (2014) | PKUCare Pharmaceutical R & D Center | 2D 3D TSV |
| 25139568 | 40 | Synthesis, biological evaluation and molecular modeling study of 2-(1,3,4-thiadiazolyl-thio and 4-methyl-thiazolyl-thio)-quinazolin-4-ones as a new class of DHFR inhibitors. |
Bioorg Med Chem Lett 24: 4557-67 (2014) | King Saud University | 2D 3D TSV |
| 25139566 | 4 | Synthesis of N-glycan units for assessment of substrate structural requirements of N-acetylglucosaminyltransferase III. |
Bioorg Med Chem Lett 24: 4533-7 (2014) | RIKEN-Max Planck Joint Research Center for Systems Chemical Biology | 2D 3D TSV |
| 25139565 | 43 | Fragment-based identification and optimization of a class of potent pyrrolo[2,1-f][1,2,4]triazine MAP4K4 inhibitors. |
Bioorg Med Chem Lett 24: 4546-52 (2014) | Genentech | 2D 3D TSV |
| 25137573 | 7 | Pyridine-3-carboxamide-6-yl-ureas as novel inhibitors of bacterial DNA gyrase: structure based design, synthesis, SAR and antimicrobial activity. |
Eur J Med Chem 86: 31-8 (2014) | University of Leeds | 2D 3D TSV |
| 25134064 | 40 | Tricyclic pyrazoles part 7. Discovery of potent and selective dihydrothienocyclopentapyrazole derived CB2 ligands. |
Eur J Med Chem 85: 747-57 (2014) | Universit£ degli Studi di Sassari | 2D 3D TSV |
| 25133923 | 13 | Design, synthesis, and biological evaluation of (3R)-1,2,3,4-tetrahydro-7-hydroxy-N-[(1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl]-3-isoquinolinecarboxamide (JDTic) analogues: in vitro pharmacology and ADME profile. |
J Med Chem 57: 7367-81 (2014) | Research Triangle Institute | 2D 3D TSV |
| 25131956 | 4 | Synthesis and biological evaluation of podophyllotoxin congeners as tubulin polymerization inhibitors. |
Bioorg Med Chem 22: 5466-75 (2014) | National Institute of Pharmaceutical Education and Research (NIPER) | 2D 3D TSV |
| 25129616 | 24 | Substrate derived peptidica-ketoamides as inhibitors of the malarial protease PfSUB1. |
Bioorg Med Chem Lett 24: 4486-9 (2014) | Latvian Institute of Organic Synthesis | 2D 3D TSV |
| 25129171 | 29 | Design, synthesis, biological evaluation of substituted benzofurans as DNA gyraseB inhibitors of Mycobacterium tuberculosis. |
Bioorg Med Chem 22: 4924-34 (2014) | Institute of Technology & Science-Pilani | 2D 3D TSV |
| 25129170 | 20 | 'Carba'-carfentanil (trans isomer): aµ opioid receptor (MOR) partial agonist with a distinct binding mode. |
Bioorg Med Chem 22: 4581-6 (2014) | Clinical Research Institute of Montreal | 2D 3D TSV |
| 25129169 | 80 | Sulfonamide inhibition study of the carbonic anhydrases from the bacterial pathogen Porphyromonas gingivalis: theß-class (PgiCAb) versus the¿-class (PgiCA) enzymes. |
Bioorg Med Chem 22: 4537-43 (2014) | Istituto di Biochimica delle Proteine-CNR | 2D 3D TSV |
| 25128671 | 65 | Structure-activity relationships and molecular modeling studies of novel arylpiperazinylalkyl 2-benzoxazolones and 2-benzothiazolones as 5-HT(7) and 5-HT(1A) receptor ligands. |
Eur J Med Chem 85: 716-26 (2014) | Universit£ di Catania | 2D 3D TSV |
| 25128670 | 1 | Present status of quinoxaline motifs: excellent pathfinders in therapeutic medicine. |
Eur J Med Chem 85: 688-715 (2014) | Covenant University | 2D 3D TSV |
| 25127466 | 6 | Exploiting the anti-HIV 6-desfluoroquinolones to design multiple ligands. |
Bioorg Med Chem 22: 4658-66 (2014) | University of Perugia | 2D 3D TSV |
| 25127465 | 2 | Identification of novel inhibitors of phospho-MurNAc-pentapeptide translocase MraY from library screening: Isoquinoline alkaloid michellamine B and xanthene dye phloxine B. |
Bioorg Med Chem 22: 4566-71 (2014) | University of Warwick | 2D 3D TSV |
| 25127464 | 2 | Design, synthesis, and in vitro evaluation of an activity-based protein profiling (ABPP) probe targeting agmatine deiminases. |
Bioorg Med Chem 22: 4602-8 (2014) | University of North Florida | 2D 3D TSV |
| 25127461 | 36 | Novel N-biphenyl-2-ylmethyl 2-methoxyphenylpiperazinylalkanamides as 5-HT7R antagonists for the treatment of depression. |
Bioorg Med Chem 22: 4587-96 (2014) | Yonsei University | 2D 3D TSV |
| 25127163 | 11 | Repurposing human PDE4 inhibitors for neglected tropical diseases: design, synthesis and evaluation of cilomilast analogues as Trypanosoma brucei PDEB1 inhibitors. |
Bioorg Med Chem Lett 24: 4084-9 (2014) | Northeastern University | 2D 3D TSV |
| 25127154 | 24 | Novel thienopyrimidinones as mGluR1 antagonists. |
Eur J Med Chem 85: 629-37 (2014) | Yonsei University | 2D 3D TSV |
| 25127152 | 20 | Novel multi-targeting anthra[2,3-b]thiophene-5,10-diones with guanidine-containing side chains: interaction with telomeric G-quadruplex, inhibition of telomerase and topoisomerase I and cytotoxic properties. |
Eur J Med Chem 85: 605-14 (2014) | Russian Academy of Sciences | 2D 3D TSV |
| 25127148 | 1 | Some molecular targets for antihyperlipidemic drug research. |
Eur J Med Chem 85: 535-68 (2014) | Banasthali University | 2D 3D TSV |
| 25127105 | 4 | Evaluation of the cyclopentane-1,2-dione as a potential bio-isostere of the carboxylic acid functional group. |
Bioorg Med Chem Lett 24: 4171-5 (2014) | University of Pennsylvania | 2D 3D TSV |
| 25127103 | 4 | Structural studies provide clues for analog design of specific inhibitors of Cryptosporidium hominis thymidylate synthase-dihydrofolate reductase. |
Bioorg Med Chem Lett 24: 4158-61 (2014) | Yale University | 2D 3D TSV |
| 25127101 | 26 | Discovery of furan-2-carbohydrazides as orally active glucagon receptor antagonists. |
Bioorg Med Chem Lett 24: 4266-70 (2014) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
| 25126889 | 10 | Synthesis, biological evaluation, and molecular modeling of new 3-(cyclopentyloxy)-4-methoxybenzaldehyde O-(2-(2,6-dimethylmorpholino)-2-oxoethyl) Oxime (GEBR-7b) related phosphodiesterase 4D (PDE4D) inhibitors. |
J Med Chem 57: 7061-72 (2014) | University of Genoa | 2D 3D TSV |
| 25126833 | 144 | Design, synthesis, and structure-activity relationship studies of a series of [4-(4-carboxamidobutyl)]-1-arylpiperazines: insights into structural features contributing to dopamine D3 versus D2 receptor subtype selectivity. |
J Med Chem 57: 7042-60 (2014) | Southern Research Institute | 2D 3D TSV |
| 25126694 | 21 | Ebselen Inhibits Hepatitis C Virus NS3 Helicase Binding to Nucleic Acid and Prevents Viral Replication |
ACS Chem Biol 9: 2393-2403 (2014) | University of Wisconsin-Milwaukee | 2D 3D TSV |
| 25124116 | 19 | 4-Substituted quinazoline derivatives as novel EphA2 receptor tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 24: 4080-3 (2014) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 25124115 | 77 | Design, synthesis and evaluation of benzoisothiazolones as selective inhibitors of PHOSPHO1. |
Bioorg Med Chem Lett 24: 4308-11 (2014) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
| 25124112 | 54 | Synthesis and biological evaluation of novel thiadiazole amides as potent Cdc25B and PTP1B inhibitors. |
Bioorg Med Chem Lett 24: 4125-8 (2014) | Liaoning Normal University | 2D 3D TSV |
| 25122198 | 5 | The androgen-regulated protease TMPRSS2 activates a proteolytic cascade involving components of the tumor microenvironment and promotes prostate cancer metastasis. |
Cancer Discov 4: 1310-25 (2014) | Fred Hutchinson Cancer Research Center | 2D 3D TSV |
| 25122135 | 3 | Small molecule adenosine 5'-monophosphate activated protein kinase (AMPK) modulators and human diseases. |
J Med Chem 58: 2-29 (2015) | University of Nebraska Medical Center | 2D 3D TSV |
| 25121964 | 18 | 3-alkoxy-pyrrolo[1,2-b]pyrazolines as selective androgen receptor modulators with ideal physicochemical properties for transdermal administration. |
J Med Chem 57: 7396-411 (2014) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25119815 | 33 | 14,15-Epoxyeicosa-5,8,11-trienoic Acid (14,15-EET) surrogates: carboxylate modifications. |
J Med Chem 57: 6965-72 (2014) | University of Texas Southwestern Medical Center | 2D 3D TSV |
| 25116076 | 14 | Exploring the influence of the protein environment on metal-binding pharmacophores. |
J Med Chem 57: 7126-35 (2014) | University of California | 2D 3D TSV |
| 25113934 | 65 | Discovery of pyrrolo-benzo-1,4-diazines as potent Na(v)1.7 sodium channel blockers. |
Bioorg Med Chem Lett 24: 4110-3 (2014) | Merck Research Laboratory | 2D 3D TSV |
| 25113932 | 51 | Optimization of 2-phenyl-pyrimidine-4-carboxamides towards potent, orally bioavailable and selective P2Y(12) antagonists for inhibition of platelet aggregation. |
Bioorg Med Chem Lett 24: 4323-31 (2014) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
| 25113930 | 63 | Kinase domain inhibition of leucine rich repeat kinase 2 (LRRK2) using a [1,2,4]triazolo[4,3-b]pyridazine scaffold. |
Bioorg Med Chem Lett 24: 4132-40 (2014) | Pfizer Inc | 2D 3D TSV |
| 25113879 | 22 | Synthesis and bioevaluation of 2-phenyl-4-methyl-1,3-selenazole-5-carboxylic acids as potent xanthine oxidase inhibitors. |
Eur J Med Chem 85: 508-16 (2014) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 25113875 | 14 | Indole-3-ethylsulfamoylphenylacrylamides: potent histone deacetylase inhibitors with anti-inflammatory activity. |
Eur J Med Chem 85: 468-79 (2014) | Taipei Medical University | 2D 3D TSV |
| 25108359 | 50 | 6-(Hetero)Arylpurine nucleotides as inhibitors of the oncogenic target DNPH1: synthesis, structural studies and cytotoxic activities. |
Eur J Med Chem 85: 418-37 (2014) | University of Paris | 2D 3D TSV |
| 25108079 | 27 | Synthesis and biological evaluation of novel thieno[2,3-d]pyrimidine-based FLT3 inhibitors as anti-leukemic agents. |
Eur J Med Chem 85: 399-407 (2014) | Yonsei University | 2D 3D TSV |
| 25108078 | 13 | Synthesis and biological evaluations of new analogs of 2-methoxyestradiol: inhibitors of tubulin and angiogenesis. |
Eur J Med Chem 85: 391-8 (2014) | University of Oslo | 2D 3D TSV |
| 25105924 | 5 | Design, synthesis and biological evaluation of 17-arylmethylamine-17-demethoxygeldanamycin derivatives as potent Hsp90 inhibitors. |
Eur J Med Chem 85: 359-70 (2014) | Shandong University | 2D 3D TSV |
| 25105922 | 19 | Discovery and molecular modeling of novel 1-indolyl acetate--5-nitroimidazole targeting tubulin polymerization as antiproliferative agents. |
Eur J Med Chem 85: 341-51 (2014) | Nanjing University | 2D 3D TSV |
| 25102418 | 36 | Design, synthesis, and biological evaluation of 3-(1-Aryl-1H-indol-5-yl)propanoic acids as new indole-based cytosolic phospholipase A2a inhibitors. |
J Med Chem 57: 7244-62 (2014) | Asubio Pharma Co., Ltd | 2D 3D TSV |
| 25102141 | 25 | Human Toll-like receptor 8-selective agonistic activities in 1-alkyl-1H-benzimidazol-2-amines. |
J Med Chem 57: 7325-41 (2014) | University of Kansas | 2D 3D TSV |
| 25101911 | 95 | Structure-activity relationship of 3,5-diaryl-2-aminopyridine ALK2 inhibitors reveals unaltered binding affinity for fibrodysplasia ossificans progressiva causing mutants. |
J Med Chem 57: 7900-15 (2014) | Massachusetts Institute of Technology | 2D 3D TSV |
| 25101488 | 50 | Discovery of the CCR1 antagonist, BMS-817399, for the treatment of rheumatoid arthritis. |
J Med Chem 57: 7550-64 (2014) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25100568 | 68 | Discovery of (R)-1-(7-chloro-2,2-bis(fluoromethyl)chroman-4-yl)-3-(3-methylisoquinolin-5-yl)urea (A-1165442): a temperature-neutral transient receptor potential vanilloid-1 (TRPV1) antagonist with analgesic efficacy. |
J Med Chem 57: 7412-24 (2014) | AbbVie Inc | 2D 3D TSV |
| 25100502 | 15 | Design and synthesis of sulfamoyl benzoic acid analogues with subnanomolar agonist activity specific to the LPA2 receptor. |
J Med Chem 57: 7136-40 (2014) | The University of Tennessee Health Science Center | 2D 3D TSV |
| 25098388 | 7 | Lithocarpic Acids A-N, 3,4-seco-Cycloartane Derivatives from the Cupules of Lithocarpus polystachyus. |
J. Nat. Prod. 77: 1910-20 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25096297 | 63 | Design, synthesis and in vitro evaluation of novel uni- and bivalent ligands for the cannabinoid receptor type 1 with variation of spacer length and structure. |
Bioorg Med Chem Lett 24: 4209-14 (2014) | Julius-Maximilians-Universit£t W£rzburg | 2D 3D TSV |
| 25096296 | 14 | Inhibitory potency of flavonoid derivatives on influenza virus neuraminidase. |
Bioorg Med Chem Lett 24: 4312-7 (2014) | Freie Universitaet Berlin | 2D 3D TSV |
| 25093931 | 44 | Trimethoxybenzanilide-based P-glycoprotein modulators: an interesting case of lipophilicity tuning by intramolecular hydrogen bonding. |
J Med Chem 57: 6403-18 (2014) | Universit£ di Bari"Aldo Moro" | 2D 3D TSV |
| 25092521 | 50 | Structure based inhibitor design targeting glycogen phosphorylase B. Virtual screening, synthesis, biochemical and biological assessment of novel N-acyl-ß-d-glucopyranosylamines. |
Bioorg Med Chem 22: 4810-25 (2014) | University of Thessaly | 2D 3D TSV |
| 25091930 | 18 | Structure-based design of novel human Pin1 inhibitors (III): optimizing affinity beyond the phosphate recognition pocket. |
Bioorg Med Chem Lett 24: 4187-91 (2014) | Pfizer Inc | 2D 3D TSV |
| 25089924 | 19 | The mobility of a conserved tyrosine residue controls isoform-dependent enzyme-inhibitor interactions in nitric oxide synthases. |
Biochemistry 53: 5272-9 (2014) | University of California Irvine | 2D 3D TSV |
| 25089812 | 1 | Fused heterocycles bearing bridgehead nitrogen as potent HIV-1 NNRTIs. Part 2: discovery of novel [1,2,4]Triazolo[1,5-a]pyrimidines using a structure-guided core-refining approach. |
Eur J Med Chem 85: 293-303 (2014) | Shandong University | 2D 3D TSV |
| 25089810 | 79 | Novel acylureidoindolin-2-one derivatives as dual Aurora B/FLT3 inhibitors for the treatment of acute myeloid leukemia. |
Eur J Med Chem 85: 268-88 (2014) | National Taiwan University | 2D 3D TSV |
| 25089370 | 40 | Synthesis and biological evaluation of novel tacrine derivatives and tacrine-coumarin hybrids as cholinesterase inhibitors. |
J Med Chem 57: 7073-84 (2014) | P. J. Safarik University | 2D 3D TSV |
| 25089179 | 3 | The biology and synthesis of ?-hydroxytropolones. |
Medchemcomm 5: 842-852 (2014) | City University of New York | 2D 3D TSV |
| 25088549 | 47 | Syntheses of coumarin-tacrine hybrids as dual-site acetylcholinesterase inhibitors and their activity against butylcholinesterase, Aß aggregation, andß-secretase. |
Bioorg Med Chem 22: 4784-91 (2014) | Central China Normal University | 2D 3D TSV |
| 25088191 | 77 | Discovery and optimization of 5-fluoro-4,6-dialkoxypyrimidine GPR119 agonists. |
Bioorg Med Chem Lett 24: 4332-5 (2014) | Arena Pharmaceuticals Inc | 2D 3D TSV |
| 25087753 | 240 | Prediction of Thorough QT study results using action potential simulations based on ion channel screens. |
J Pharmacol Toxicol Methods 70: 246-54 (2014) | University of Oxford | 2D 3D TSV |
| 25087049 | 56 | Discovery, structure-activity relationship studies, and anti-nociceptive effects of 1-phenyl-3,6,6-trimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one as novel opioid receptor agonists. |
Bioorg Med Chem 22: 4694-703 (2014) | National Health Research Institutes | 2D 3D TSV |
| 25087047 | 7 | Synthesis of pyrazolo[4,3-a]phenanthridines, a new scaffold for Pim kinase inhibition. |
Bioorg Med Chem 22: 4704-10 (2014) | Clermont Universit£ | 2D 3D TSV |
| 25086914 | 23 | Development of dual targeting inhibitors against aggregations of amyloid-ß and tau protein. |
Eur J Med Chem 85: 228-34 (2014) | Tokyo Institute of Technology | 2D 3D TSV |
| 25086681 | 57 | Structure-based optimization of non-peptidic Cathepsin D inhibitors. |
Bioorg Med Chem Lett 24: 4141-50 (2014) | Merck KGaA | 2D 3D TSV |
| 25086680 | 11 | Synthesis and biological evaluation of substituted 4-(thiophen-2-ylmethyl)-2H-phthalazin-1-ones as potent PARP-1 inhibitors. |
Bioorg Med Chem Lett 24: 3739-43 (2014) | Beijing Institute of Pharmacology and Toxicology | 2D 3D TSV |
| 25086508 | 2 | A human fatty acid synthase inhibitor binds ß-ketoacyl reductase in the keto-substrate site. |
Nat Chem Biol 10: 774-9 (2014) | GlaxoSmithKline | 2D 3D TSV |
| 25086238 | 13 | Design, synthesis and biological evaluation of novel thieno[3,2-d]pyrimidine derivatives containing diaryl urea moiety as potent antitumor agents. |
Eur J Med Chem 85: 215-27 (2014) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 25084145 | 9 | Development of quinone analogues as dynamin GTPase inhibitors. |
Eur J Med Chem 85: 191-206 (2014) | The University of Newcastle | 2D 3D TSV |
| 25083189 | 8 | Selective Inhibition of Bacterial Topoisomerase I by alkynyl-bisbenzimidazoles. |
Medchemcomm 5: 816-825 (2014) | Clemson University | 2D 3D TSV |
| 25082515 | 44 | Discovery of quinazolin-4-amines bearing benzimidazole fragments as dual inhibitors of c-Met and VEGFR-2. |
Bioorg Med Chem 22: 4735-44 (2014) | China Pharmaceutical University | 2D 3D TSV |
| 25082513 | 30 | Design, synthesis, and biological evaluation of scaffold-based tripeptidomimetic antagonists for CXC chemokine receptor 4 (CXCR4). |
Bioorg Med Chem 22: 4759-69 (2014) | UiT The Arctic University of Norway | 2D 3D TSV |
| 25082512 | 38 | Design, synthesis and evaluation of rivastigmine and curcumin hybrids as site-activated multitarget-directed ligands for Alzheimer's disease therapy. |
Bioorg Med Chem 22: 4717-25 (2014) | Zhejiang University | 2D 3D TSV |
| 25082126 | 34 | Discovery of novel pyrimidine and malonamide derivatives as TGR5 agonists. |
Bioorg Med Chem Lett 24: 4271-5 (2014) | Chung-Ang University | 2D 3D TSV |
| 25082125 | 12 | Synthesis and biological evaluation of thienopyrimidine derivatives as GPR119 agonists. |
Bioorg Med Chem Lett 24: 4281-5 (2014) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 25079952 | 38 | Optimized inhibitors of soluble epoxide hydrolase improve in vitro target residence time and in vivo efficacy. |
J Med Chem 57: 7016-30 (2014) | University of California Davis | 2D 3D TSV |
| 25078316 | 14 | Towards the development of chromone-based MEK1/2 modulators. |
Eur J Med Chem 85: 127-38 (2014) | University of Gothenburg | 2D 3D TSV |
| 25078315 | 7 | Discovery of highly potent TNFa inhibitors using virtual screen. |
Eur J Med Chem 85: 119-26 (2014) | Peking University | 2D 3D TSV |
| 25076379 | 87 | Structural manipulation on the catecholic fragment of dopamine D(1) receptor agonist 1-phenyl-N-methyl-benzazepines. |
Eur J Med Chem 85: 16-26 (2014) | Shanghai Institute of Materia Medica (SIMM) | 2D 3D TSV |
| 25076195 | 18 | Pyrrolo[3,2-b]quinoxaline derivatives as types I1/2 and II Eph tyrosine kinase inhibitors: structure-based design, synthesis, and in vivo validation. |
J Med Chem 57: 6834-44 (2014) | University of Z£rich | 2D 3D TSV |
| 25075977 | 12 | Prostaglandin Derivatives: Nonaromatic Phosphodiesterase-4 Inhibitors from the Soft Coral Sarcophyton ehrenbergi. |
J. Nat. Prod. 77: 1928-36 (2014) | Sun Yat-sen University | 2D 3D TSV |
| 25075762 | 4 | Studies toward the Development of Antiproliferative Neoclerodanes from Salvinorin A. |
J. Nat. Prod. 77: 1817-24 (2014) | The University of Kansas | 2D 3D TSV |
| 25075638 | 210 | N-[6-(4-butanoyl-5-methyl-1H-pyrazol-1-yl)pyridazin-3-yl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1H-indole-3-carboxamide (SAR216471), a novel intravenous and oral, reversible, and directly acting P2Y12 antagonist. |
J Med Chem 57: 7293-316 (2014) | Sanofi R & D | 2D 3D TSV |
| 25073094 | 24 | The extracellular entrance provides selectivity to serotonin 5-HT7 receptor antagonists with antidepressant-like behavior in vivo. |
J Med Chem 57: 6879-84 (2014) | Universidad Complutense de Madrid | 2D 3D TSV |
| 25072877 | 40 | One-pot heterogeneous synthesis of¿(3)-tetrahydrocannabinol analogues and xanthenes showing differential binding to CB(1) and CB(2) receptors. |
Eur J Med Chem 85: 77-86 (2014) | University of Perugia | 2D 3D TSV |
| 25072876 | 2 | Trends in research of antitrypanosomal agents among synthetic heterocycles. |
Eur J Med Chem 85: 51-64 (2014) | Danylo Halytsky Lviv National Medical University | 2D 3D TSV |
| 25072873 | 72 | Discovery of oxazole and triazole derivatives as potent and selective S1P(1) agonists through pharmacophore-guided design. |
Eur J Med Chem 85: 1-15 (2014) | Peking Union Medical College and Chinese Academy of Medical Sciences | 2D 3D TSV |
| 25070422 | 126 | Further evaluation of the tropane analogs of haloperidol. |
Bioorg Med Chem Lett 24: 4294-7 (2014) | Florida A&M University | 2D 3D TSV |
| 25070421 | 33 | Evaluation of class I HDAC isoform selectivity of largazole analogues. |
Bioorg Med Chem Lett 24: 3728-31 (2014) | Duke University | 2D 3D TSV |
| 25069058 | 5 | Nostosins, Trypsin Inhibitors Isolated from the Terrestrial Cyanobacterium Nostoc sp. Strain FSN. |
J. Nat. Prod. 77: 1784-90 (2014) | University of Helsinki | 2D 3D TSV |
| 25068993 | 3 | A potent cyclic peptide targeting SPSB2 protein as a potential anti-infective agent. |
J Med Chem 57: 7006-15 (2014) | Monash University | 2D 3D TSV |
| 25068893 | 8 | Synthesis and structure-activity relationships of pteridine dione and trione monocarboxylate transporter 1 inhibitors. |
J Med Chem 57: 7317-24 (2014) | The Scripps Research Institute | 2D 3D TSV |
| 25068800 | 34 | UNC2025, a potent and orally bioavailable MER/FLT3 dual inhibitor. |
J Med Chem 57: 7031-41 (2014) | University of North Carolina at Chapel Hill | 2D 3D TSV |
| 25068708 | 4 | Ligand-induced conformational change of Plasmodium falciparum AMA1 detected using 19F NMR. |
J Med Chem 57: 6419-27 (2014) | La Trobe University | 2D 3D TSV |
| 25068033 | 38 | Design, Synthesis, and Evaluation of 4- and 5-Substituted |
Medchemcomm 5: 826-830 (2014) | The Johns Hopkins University | 2D 3D TSV |
| 25066953 | 7 | In silico and pharmacological screenings identify novel serine racemase inhibitors. |
Bioorg Med Chem Lett 24: 3732-5 (2014) | University of Toyama | 2D 3D TSV |
| 25065940 | 77 | Structure-affinity relationships and pharmacological characterization of new alkyl-resorcinol cannabinoid receptor ligands: Identification of a dual cannabinoid receptor/TRPA1 channel agonist. |
Bioorg Med Chem 22: 4770-83 (2014) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 25065493 | 92 | The identification of 7-[(R)-2-((1S,2S)-2-benzyloxycyclopentylamino)-1-hydroxyethyl]-4-hydroxybenzothiazolone as an inhaled long-actingß2-adrenoceptor agonist. |
Bioorg Med Chem Lett 24: 4341-7 (2014) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25064350 | 5 | Discovery of diethyl 2,5-diaminothiophene-3,4-dicarboxylate derivatives as potent anticancer and antimicrobial agents and screening of anti-diabetic activity: synthesis and in vitro biological evaluation. Part 1. |
Eur J Med Chem 84: 739-45 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25064347 | 22 | Discovery of N-(2-phenyl-1H-benzo[d]imidazol-5-yl)quinolin-4-amine derivatives as novel VEGFR-2 kinase inhibitors. |
Eur J Med Chem 84: 698-707 (2014) | China Pharmaceutical University | 2D 3D TSV |
| 25063944 | 56 | 7-Amino-2-phenylpyrazolo[4,3-d]pyrimidine derivatives: structural investigations at the 5-position to target human A1 and A(2A) adenosine receptors. Molecular modeling and pharmacological studies. |
Eur J Med Chem 84: 614-27 (2014) | Universit£ di Firenze | 2D 3D TSV |
| 25062506 | 102 | Synthesis and pharmacological evaluation of 5-pyrrolidinylquinoxalines as a novel class of peripherally restricted¿-opioid receptor agonists. |
J Med Chem 57: 6845-60 (2014) | Westf£lische Wilhelms-Universit£t M£nster | 2D 3D TSV |
| 25062468 | 4 | Design and synthesis of new benzimidazole-carbazole conjugates for the stabilization of human telomeric DNA, telomerase inhibition, and their selective action on cancer cells. |
J Med Chem 57: 6973-88 (2014) | Indian Institute of Science | 2D 3D TSV |
| 25062388 | 4 | An allosteric modulator of HIV-1 protease shows equipotent inhibition of wild-type and drug-resistant proteases. |
J Med Chem 57: 6468-78 (2014) | University of Michigan | 2D 3D TSV |
| 25062331 | 81 | Discovery of small-molecule inhibitors selectively targeting the DNA-binding domain of the human androgen receptor. |
J Med Chem 57: 6458-67 (2014) | University of British Columbia | 2D 3D TSV |
| 25062128 | 16 | Discovery of clinical candidate 1-(4-(3-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyrazin-2-yl)piperidin-1-yl)ethanone (AMG 579), a potent, selective, and efficacious inhibitor of phosphodiesterase 10A (PDE10A). |
J Med Chem 57: 6632-41 (2014) | Amgen Inc. | 2D 3D TSV |
| 25062009 | 12 | Synthesis, screening and docking of small heterocycles as glycogen phosphorylase inhibitors. |
Eur J Med Chem 84: 584-94 (2014) | Griffith University | 2D 3D TSV |
| 25061695 | 23 | Constrained bithiazoles: small molecule correctors of defective ?F508-CFTR protein trafficking. |
J Med Chem 57: 6729-38 (2014) | University of California | 2D 3D TSV |
| 25060923 | 44 | Recent progress in sodium channel modulators for pain. |
Bioorg Med Chem Lett 24: 3690-9 (2014) | Pfizer Inc. | 2D 3D TSV |
| 25060641 | 8 | X-ray crystal structure of a xanthine oxidase complex with the flavonoid inhibitor quercetin. |
J Nat Prod 77: 1693-9 (2014) | University of California | 2D 3D TSV |
| 25059502 | 94 | Cyclic acyl guanidines bearing carbamate moieties allow potent and dirigible cholinesterase inhibition of either acetyl- or butyrylcholinesterase. |
Bioorg Med Chem 22: 5020-34 (2014) | Universit£t Regensburg | 2D 3D TSV |
| 25058929 | 58 | Discovery and optimization of 1,3,5-trisubstituted pyrazolines as potent and highly selective allosteric inhibitors of protein kinase C-?. |
J Med Chem 57: 6513-30 (2014) | Saarland University | 2D 3D TSV |
| 25057340 | 2 | Identification of a New RXR? Antagonist Targeting the Coregulator-Binding Site. |
ACS Med Chem Lett 5: 736-741 (2014) | Xiamen University | 2D 3D TSV |
| 25052428 | 24 | Allosteric modulation of the G protein-coupled US28 receptor of human cytomegalovirus: are the small-weight inverse agonist of US28 'camouflaged' agonists? |
Bioorg Med Chem Lett 24: 3744-7 (2014) | Friedrich Alexander University | 2D 3D TSV |
| 25052427 | 2 | The use of spirocyclic scaffolds in drug discovery. |
Bioorg Med Chem Lett 24: 3673-82 (2014) | Vitae Pharmaceuticals Inc. | 2D 3D TSV |
| 25052426 | 2 | Bahamaolide A from the marine-derived Streptomyces sp. CNQ343 inhibits isocitrate lyase in Candida albicans. |
Bioorg Med Chem Lett 24: 4291-3 (2014) | Seoul National University | 2D 3D TSV |
| 25052206 | 43 | Identification of Indole Alkaloid Structural Units Important for Stimulus-Selective TRPM8 Inhibition: SAR Study of Naturally Occurring Iboga Derivatives. |
J. Nat. Prod. 77: 1831-8 (2014) | University of Shizuoka | 2D 3D TSV |
| 25051243 | 30 | Synthesis of tripeptides containing D-Trp substituted at the indole ring, assessment of opioid receptor binding and in vivo central antinociception. |
J Med Chem 57: 6861-6 (2014) | University of Bologna | 2D 3D TSV |
| 25051097 | 77 | Dualsteric muscarinic antagonists--orthosteric binding pose controls allosteric subtype selectivity. |
J Med Chem 57: 6739-50 (2014) | University of W£rzburg | 2D 3D TSV |
| 25050880 | 19 | Novel 9'-substituted-noscapines: synthesis with Suzuki cross-coupling, structure elucidation and biological evaluation. |
Eur J Med Chem 84: 476-90 (2014) | University of Padova | 2D 3D TSV |
| 25050878 | 98 | Discovery of nanomolar phosphoinositide 3-kinase gamma (PI3K¿) inhibitors using ligand-based modeling and virtual screening followed by in vitro analysis. |
Eur J Med Chem 84: 454-65 (2014) | The University of Jordan | 2D 3D TSV |
| 25050174 | 1 | Azapropellanes with anti-influenza a virus activity. |
ACS Med Chem Lett 5: 831-6 (2014) | Universitat de Barcelona | 2D 3D TSV |
| 25050173 | 42 | Sulfonamides with Potent Inhibitory Action and Selectivity against thea-Carbonic Anhydrase from Vibrio cholerae. |
ACS Med Chem Lett 5: 826-30 (2014) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25050172 | 32 | Benzimidazoles: novel mycobacterial gyrase inhibitors from scaffold morphing. |
ACS Med Chem Lett 5: 820-5 (2014) | AstraZeneca | 2D 3D TSV |
| 25050171 | 4 | Two Potent OXE-R Antagonists: Assignment of Stereochemistry. |
ACS Med Chem Lett 5: 815-9 (2014) | Florida Institute of Technology | 2D 3D TSV |
| 25050169 | 52 | Optimization of 1,2,4-Triazolopyridines as Inhibitors of Human 11ß-Hydroxysteroid Dehydrogenase Type 1 (11ß-HSD-1). |
ACS Med Chem Lett 5: 803-8 (2014) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 25050167 | 40 | Carbonic anhydrase inhibitors: design, synthesis, and biological evaluation of novel sulfonyl semicarbazide derivatives. |
ACS Med Chem Lett 5: 793-6 (2014) | Bharati Vidyapeeth's College of Pharmacy | 2D 3D TSV |
| 25050166 | 58 | Structure-based design of substituted piperidines as a new class of highly efficacious oral direct Renin inhibitors. |
ACS Med Chem Lett 5: 787-92 (2014) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 25050162 | 78 | Synthesis and Pharmacological Evaluation of DH?E Analogues as Neuronal Nicotinic Acetylcholine Receptor Antagonists. |
ACS Med Chem Lett 5: 766-70 (2014) | University of Copenhagen | 2D 3D TSV |
| 25050161 | 112 | Design and synthesis of 4-heteroaryl 1,2,3,4-tetrahydroisoquinolines as triple reuptake inhibitors. |
ACS Med Chem Lett 5: 760-5 (2014) | AMRI | 2D 3D TSV |
| 25050159 | 71 | Investigation of Cardiovascular Effects of Tetrahydro-ß-carboline sstr3 antagonists. |
ACS Med Chem Lett 5: 748-53 (2014) | Merck Research Laboratories | 2D 3D TSV |
| 25050158 | 2 | Discovery of a Negative Allosteric Modulator of GABAB Receptors. |
ACS Med Chem Lett 5: 742-7 (2014) | Chinese Academy of Sciences | 2D 3D TSV |
| 25050155 | 4 | Pim kinase inhibitors for the treatment of cancer and possibly more. |
ACS Med Chem Lett 5: 730-1 (2014) | Therachem Research Medilab (India) Pvt. Ltd. | 2D 3D TSV |
| 25048712 | 24 | Synthesis and evaluation of antidepressant-like activity of some 4-substituted 1-(2-methoxyphenyl)piperazine derivatives. |
Chem Biol Drug Des 85: 326-35 (2015) | Jagiellonian University Medical College | 2D 3D TSV |
| 25047940 | 14 | Synthesis and biological evaluation of pyrido[2,3-d]pyrimidine-2,4-dione derivatives as eEF-2K inhibitors. |
Bioorg Med Chem 22: 4910-6 (2014) | The University of Texas at Austin | 2D 3D TSV |
| 25047937 | 9 | Antinociceptive and antidepressant-like action of endomorphin-2 analogs with proline surrogates in position 2. |
Bioorg Med Chem 22: 4803-9 (2014) | Medical University of Lodz | 2D 3D TSV |
| 25047936 | 183 | Amine substitution of quinazolinones leads to selective nanomolar AChE inhibitors with 'inverted' binding mode. |
Bioorg Med Chem 22: 4867-81 (2014) | Universit£t Regensburg | 2D 3D TSV |
| 25047935 | 2 | Design of granulatimide and isogranulatimide analogues as potential Chk1 inhibitors: Study of amino-platforms for their synthesis. |
Bioorg Med Chem 22: 4961-7 (2014) | Universit£ Paul Sabatier | 2D 3D TSV |
| 25047579 | 130 | Synthesis and binding profile of haloperidol-based bivalent ligands targeting dopamine D(2)-like receptors. |
Bioorg Med Chem Lett 24: 3753-6 (2014) | Friedrich-Alexander University | 2D 3D TSV |
| 25045125 | 4 | Methyl Yellow: A Potential Drug Scaffold for Parkinson's Disease. |
Chembiochem 15: 1591-8 (2014) | Northeast Ohio Medial University (NEOMED), College of Pharmacy, 4209 State Route 44, Rootstown, OH 44272 (USA) | 2D 3D TSV |
| 25043312 | 104 | Discovery of inhibitors of the mitotic kinase TTK based on N-(3-(3-sulfamoylphenyl)-1H-indazol-5-yl)-acetamides and carboxamides. |
Bioorg Med Chem 22: 4968-97 (2014) | University Health Network | 2D 3D TSV |
| 25042560 | 18 | Click approach to the discovery of 1,2,3-triazolylsalicylamides as potent Aurora kinase inhibitors. |
Bioorg Med Chem 22: 4855-66 (2014) | Ewha Womans University | 2D 3D TSV |
| 25042558 | 38 | Design, synthesis and biological evaluation of thienopyridinones as Chk1 inhibitors. |
Bioorg Med Chem 22: 4882-92 (2014) | Zhejiang University | 2D 3D TSV |
| 25042256 | 33 | Optimization beyond AMG 232: discovery and SAR of sulfonamides on a piperidinone scaffold as potent inhibitors of the MDM2-p53 protein-protein interaction. |
Bioorg Med Chem Lett 24: 3782-5 (2014) | Amgen Inc | 2D 3D TSV |
| 25042255 | 23 | Design and synthesis of phenolic hydrazide hydrazones as potent poly(ADP-ribose) glycohydrolase (PARG) inhibitors. |
Bioorg Med Chem Lett 24: 3802-6 (2014) | Kumamoto Health Science University | 2D 3D TSV |
| 25042254 | 7 | Novel inhibitors of human histone deacetylases: design, synthesis and bioactivity of 3-alkenoylcoumarines. |
Bioorg Med Chem Lett 24: 3797-801 (2014) | H�pital Kirchberg | 2D 3D TSV |
| 25042253 | 52 | Discovery of 9-(1-phenoxyethyl)-2-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-7-carboxamides as oral PI3Kß inhibitors, useful as antiplatelet agents. |
Bioorg Med Chem Lett 24: 3936-43 (2014) | AstraZeneca | 2D 3D TSV |
| 25042102 | 6 | Identification of constrained peptidomimetic chemotypes as HIV protease inhibitors. |
Eur J Med Chem 84: 444-53 (2014) | University of Florence | 2D 3D TSV |
| 25042005 | 3 | Deoxyribonuclease inhibitors. |
Eur J Med Chem 88: 101-11 (2014) | University of Nis | 2D 3D TSV |
| 25038482 | 66 | Synthesis and pharmacological evaluation of 6-aminonicotinic acid analogues as novel GABA(A) receptor agonists. |
Eur J Med Chem 84: 404-16 (2014) | University of Copenhagen | 2D 3D TSV |
| 25037918 | 33 | Discovery libraries targeting the major enzyme classes: the serine hydrolases. |
Bioorg Med Chem Lett 24: 3807-13 (2014) | The Scripps Research Institute | 2D 3D TSV |
| 25037917 | 56 | Novel inhibitors of the high-affinity L-proline transporter as potential therapeutic agents for the treatment of cognitive disorders. |
Bioorg Med Chem Lett 24: 3886-90 (2014) | Lexicon Pharmaceuticals, Inc. | 2D 3D TSV |
| 25037916 | 185 | Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase. |
Bioorg Med Chem Lett 24: 3764-71 (2014) | Genentech | 2D 3D TSV |
| 25037914 | 76 | Identification of pirinixic acid derivatives bearing a 2-aminothiazole moiety combines dual PPARa/¿ activation and dual 5-LO/mPGES-1 inhibition. |
Bioorg Med Chem Lett 24: 3757-63 (2014) | Goethe-University Frankfurt | 2D 3D TSV |
| 25036796 | 23 | Discovery of azetidine based ene-amides as potent bacterial enoyl ACP reductase (FabI) inhibitors. |
Eur J Med Chem 84: 382-94 (2014) | Aurigene Discovery Technologies Ltd | 2D 3D TSV |
| 25036795 | 45 | Indolinone-based acetylcholinesterase inhibitors: synthesis, biological activity and molecular modeling. |
Eur J Med Chem 84: 375-81 (2014) | Yazd University | 2D 3D TSV |
| 25036794 | 12 | Synthesis of novel chiral TBBt derivatives with hydroxyl moiety. Studies on inhibition of human protein kinase CK2a and cytotoxicity properties. |
Eur J Med Chem 84: 364-74 (2014) | Warsaw University of Technology | 2D 3D TSV |
| 25036791 | 56 | Bioisosteric replacement of an acylureido moiety attached to an indolin-2-one scaffold with a malonamido or a 2/4-pyridinoylamido moiety produces a selectively potent Aurora-B inhibitor. |
Eur J Med Chem 84: 312-34 (2014) | National Taiwan University | 2D 3D TSV |
| 25036790 | 60 | Multi-dimensional target profiling of N,4-diaryl-1,3-thiazole-2-amines as potent inhibitors of eicosanoid metabolism. |
Eur J Med Chem 84: 302-11 (2014) | Goethe-University Frankfurt | 2D 3D TSV |
| 25036789 | 45 | Detailed analysis and follow-up studies of a high-throughput screening for indoleamine 2,3-dioxygenase 1 (IDO1) inhibitors. |
Eur J Med Chem 84: 284-301 (2014) | Swiss Institute of Bioinformatics | 2D 3D TSV |
| 25036503 | 4 | Small molecule ghrelin receptor inverse agonists and antagonists. |
J Med Chem 57: 8671-91 (2014) | Pfizer Inc | 2D 3D TSV |
| 25035921 | 44 | Pyrazolopyrimidines Establish MurC as a Vulnerable Target in Pseudomonas aeruginosa and Escherichia coli. |
ACS Chem Biol 9: 2274-82 (2014) | AstraZeneca India Pvt. Ltd. | 2D 3D TSV |
| 25035262 | 41 | Development of potent antagonists for formyl peptide receptor 1 based on Boc-Phe-D-Leu-Phe-D-Leu-Phe-OH. |
Bioorg Med Chem 22: 3824-8 (2014) | Saga University | 2D 3D TSV |
| 25032784 | 33 | Discovery of 1-butyl-3-chloro-4-(4-phenyl-1-piperidinyl)-(1H)-pyridone (JNJ-40411813): a novel positive allosteric modulator of the metabotropic glutamate 2 receptor. |
J Med Chem 57: 6495-512 (2014) | Janssen-Cilag S.A. | 2D 3D TSV |
| 25032507 | 43 | Discovery of a selective, substrate-competitive inhibitor of the lysine methyltransferase SETD8. |
J Med Chem 57: 6822-33 (2014) | University of North Carolina at Chapel Hill | 2D 3D TSV |
| 25027934 | 4 | Synthesis of lantadene analogs with marked in vitro inhibition of lung adenocarcinoma and TNF-a induced nuclear factor-kappa B (NF-¿B) activation. |
Bioorg Med Chem Lett 24: 3814-8 (2014) | Jaypee University of Information Technology | 2D 3D TSV |
| 25027802 | 56 | Selective inhibition of human carbonic anhydrases by novel amide derivatives of probenecid: synthesis, biological evaluation and molecular modelling studies. |
Bioorg Med Chem 22: 3982-8 (2014) | Sapienza University of Rome | 2D 3D TSV |
| 25027801 | 8 | Development of radamide analogs as Grp94 inhibitors. |
Bioorg Med Chem 22: 4083-98 (2014) | The University of Kansas | 2D 3D TSV |
| 25026046 | 42 | Studies examining the relationship between the chemical structure of protoxin II and its activity on voltage gated sodium channels. |
J Med Chem 57: 6623-31 (2014) | Purdue Pharma LP | 2D 3D TSV |
| 25025853 | 9 | Synthesis, antimitotic and antivascular activity of 1-(3',4',5'-trimethoxybenzoyl)-3-arylamino-5-amino-1,2,4-triazoles. |
J Med Chem 57: 6795-808 (2014) | Universit£ di Ferrara | 2D 3D TSV |
| 25025737 | 37 | Discovery of 1H-indole-2-carboxamides as novel inhibitors of the androgen receptor binding function 3 (BF3). |
J Med Chem 57: 6867-72 (2014) | University of British Columbia | 2D 3D TSV |
| 25025595 | 30 | First photoswitchable neurotransmitter transporter inhibitor: light-induced control of¿-aminobutyric acid transporter 1 (GAT1) activity in mouse brain. |
J Med Chem 57: 6809-21 (2014) | Ludwig-Maximilians-Universit£t M£nchen | 2D 3D TSV |
| 25022972 | 24 | Bicyclic tetrapeptides as potent HDAC inhibitors: effect of aliphatic loop position and hydrophobicity on inhibitory activity. |
Bioorg Med Chem 22: 3862-70 (2014) | University of Rajshahi | 2D 3D TSV |
| 25022971 | 124 | Furazan and furoxan sulfonamides are stronga-carbonic anhydrase inhibitors and potential antiglaucoma agents. |
Bioorg Med Chem 22: 3913-21 (2014) | Universit£ degli Studi di Torino | 2D 3D TSV |
| 25022881 | 1 | Molecular modeling studies of atorvastatin analogues as HMGR inhibitors using 3D-QSAR, molecular docking and molecular dynamics simulations. |
Bioorg Med Chem Lett 24: 3869-76 (2014) | Shanghai Institute of Technology | 2D 3D TSV |
| 25022880 | 24 | Molecular determinants for improved activity at PPARa: structure-activity relationship of pirinixic acid derivatives, docking study and site-directed mutagenesis of PPARa. |
Bioorg Med Chem Lett 24: 4048-52 (2014) | Goethe-University Frankfurt | 2D 3D TSV |
| 25022879 | 33 | Discovery of S-adenosyl-L-homocysteine hydrolase inhibitors based on non-adenosine analogs. |
Bioorg Med Chem Lett 24: 4336-40 (2014) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 25022204 | 78 | Discovery of (7-aryl-1,5-naphthyridin-2-yl)ureas as dual inhibitors of ERK2 and Aurora B kinases with antiproliferative activity against cancer cells. |
Bioorg Med Chem Lett 24: 3748-52 (2014) | Universit£ de Nantes | 2D 3D TSV |
| 25019596 | 24 | Quinolone-based HDAC inhibitors. |
J Enzyme Inhib Med Chem 29: 555-62 (2014) | Orchid Chemicals & Pharmaceuticals Limited | 2D 3D TSV |
| 25019479 | 96 | Cyclic tertiary sulfamates: selective inhibition of the tumor-associated carbonic anhydrases IX and XII by N- and O-substituted acesulfame derivatives. |
Eur J Med Chem 84: 240-6 (2014) | Sapienza University of Rome | 2D 3D TSV |
| 25019478 | 13 | Flavones: an important scaffold for medicinal chemistry. |
Eur J Med Chem 84: 206-39 (2014) | Punjabi University | 2D 3D TSV |
| 25019477 | 11 | Investigations of amide bond variation and biaryl modification in analogues ofa7 nAChR agonist SEN12333. |
Eur J Med Chem 84: 200-5 (2014) | The University of Sydney | 2D 3D TSV |
| 25019388 | 31 | Discovery of a novel, first-in-class, orally bioavailable azaindole inhibitor (VX-787) of influenza PB2. |
J Med Chem 57: 6668-78 (2014) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 25017625 | 45 | Synthesis and cholinesterase inhibition of cativic acid derivatives. |
Bioorg Med Chem 22: 3838-49 (2014) | Universidad Nacional del Sur | 2D 3D TSV |
| 25017035 | 20 | Molecular dynamics study-guided identification of cyclic amine structures as novel hydrophobic tail components of hPPAR¿ agonists. |
Bioorg Med Chem Lett 24: 4001-5 (2014) | Okayama University | 2D 3D TSV |
| 25017034 | 1 | Confronting the challenges of discovery of novel antibacterial agents. |
Bioorg Med Chem Lett 24: 3683-9 (2014) | SBS Pharma Consulting LLC | 2D 3D TSV |
| 25017033 | 148 | Potent and selective inhibitors of the TASK-1 potassium channel through chemical optimization of a bis-amide scaffold. |
Bioorg Med Chem Lett 24: 3968-73 (2014) | University of Kansas Specialized Chemistry Center | 2D 3D TSV |
| 25017032 | 62 | Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists. |
Bioorg Med Chem Lett 24: 3891-7 (2014) | Genentech | 2D 3D TSV |
| 25017030 | 17 | Thieno[2,3-b]pyridines as negative allosteric modulators of metabotropic GluR5 receptors: hit-to-lead optimization. |
Bioorg Med Chem Lett 24: 3845-9 (2014) | Gedeon Richter Plc | 2D 3D TSV |
| 25017029 | 39 | Design, synthesis, and biological activities of 1-aryl-1,4-diazepan-2-one derivatives as novel triple reuptake inhibitors. |
Bioorg Med Chem Lett 24: 3898-902 (2014) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 25016376 | 13 | Synthesis and SAR study of novel tricyclic pyrazoles as potent phosphodiesterase 10A inhibitors. |
Eur J Med Chem 84: 181-93 (2014) | Universit£ di Sassari | 2D 3D TSV |
| 25016374 | 31 | Potent, orally available, selective COX-2 inhibitors based on 2-imidazoline core. |
Eur J Med Chem 84: 160-72 (2014) | Griffith University | 2D 3D TSV |
| 25016371 | 13 | New praziquantel derivatives containing NO-donor furoxans and related furazans as active agents against Schistosoma mansoni. |
Eur J Med Chem 84: 135-45 (2014) | Universit£ of Torino | 2D 3D TSV |
| 25016233 | 14 | Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targetingß-amyloid, tau, and cholinesterase pathologies. |
Eur J Med Chem 84: 107-17 (2014) | Universitat de Barcelona | 2D 3D TSV |
| 25016232 | 109 | CoMFA and CoMSIA analysis of ACE-inhibitory, antimicrobial and bitter-tasting peptides. |
Eur J Med Chem 84: 100-6 (2014) | Tianjin University | 2D 3D TSV |
| 25012568 | 3 | Synthesis and biological evaluation of 2-anilino-4-substituted-7H-pyrrolopyrimidines as PDK1 inhibitors. |
Bioorg Med Chem 22: 3879-86 (2014) | La Trobe University | 2D 3D TSV |
| 25011915 | 34 | 2-Aryl substituted pyridine C-region analogues of 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as highly potent TRPV1 antagonists. |
Bioorg Med Chem Lett 24: 4044-7 (2014) | Seoul National University | 2D 3D TSV |
| 25011914 | 2 | In vitro induction of apoptosis by isosclerone from marine-derived fungus Aspergillus fumigatus. |
Bioorg Med Chem Lett 24: 3923-7 (2014) | Pukyong National University | 2D 3D TSV |
| 25011913 | 42 | Synthesis of sulfonamides with effective inhibitory action against Porphyromonas gingivalis¿-carbonic anhydrase. |
Bioorg Med Chem Lett 24: 4006-10 (2014) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 25011912 | 12 | Docking based virtual screening and molecular dynamics study to identify potential monoacylglycerol lipase inhibitors. |
Bioorg Med Chem Lett 24: 3986-96 (2014) | Jamia Hamdard (Hamdard University) | 2D 3D TSV |
| 25010935 | 1 | Design and synthesis of pyrimidine molecules endowed with thiazolidin-4-one as new anticancer agents. |
Eur J Med Chem 83: 630-45 (2014) | Jamia Hamdard (Hamdard University) | 2D 3D TSV |
| 25009003 | 10 | Glucopyranosylidene-spiro-iminothiazolidinone, a new bicyclic ring system: synthesis, derivatization, and evaluation for inhibition of glycogen phosphorylase by enzyme kinetic and crystallographic methods. |
Bioorg Med Chem 22: 4028-41 (2014) | University of Debrecen | 2D 3D TSV |
| 25009002 | 47 | Pyrrole-3-carboxamides as potent and selective JAK2 inhibitors. |
Bioorg Med Chem 22: 4998-5012 (2014) | Nerviano Medical Sciences srl | 2D 3D TSV |
| 25007344 | 73 | Optimization of potent DFG-in inhibitors of platelet derived growth factor receptorß (PDGF-Rß) guided by water thermodynamics. |
J Med Chem 58: 170-82 (2015) | Christian-Albrechts-University of Kiel | 2D 3D TSV |
| 25007124 | 6 | N-aryl-2-aminobenzimidazoles: novel, efficacious, antimalarial lead compounds. |
J Med Chem 57: 6642-52 (2014) | AstraZeneca | 2D 3D TSV |
| 25007099 | 8 | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis |
Biochemistry 53: 4671-4684 (2014) | University of Pennsylvania | 2D 3D TSV |
| 25006983 | 1 | Structural basis for HTLV-1 protease inhibition by the HIV-1 protease inhibitor indinavir. |
J Med Chem 57: 6266-72 (2014) | Philipps-Universit£t Marburg | 2D 3D TSV |
| 25006746 | 85 | Structure-based design ofß1i orß5i specific inhibitors of human immunoproteasomes. |
J Med Chem 57: 6197-209 (2014) | Leiden Institute of Chemistry and Netherlands Proteomics Centre | 2D 3D TSV |
| 25004409 | 79 | Development and biological evaluation of potent and selective c-KIT(D816V) inhibitors. |
J Med Chem 57: 6428-43 (2014) | Korea Advanced Institute of Science and Technology (KAIST) | 2D 3D TSV |
| 25003231 | 59 | Therapeutic potential of targeting the oncogenic SHP2 phosphatase. |
J Med Chem 57: 6594-609 (2014) | Indiana University School of Medicine | 2D 3D TSV |
| 25002233 | 8 | 2,2'-Dihydroxybenzophenones and their carbonyl N-analogues as inhibitor scaffolds for MDR-involved human glutathione transferase isoenzyme A1-1. |
Bioorg Med Chem 22: 3957-70 (2014) | Agricultural University of Athens | 2D 3D TSV |
| 25001485 | 8 | Synthetic studies on mitotic kinesin Eg5 inhibitors: synthesis and structure-activity relationships of novel 2,4,5-substituted-1,3,4-thiadiazoline derivatives. |
Bioorg Med Chem Lett 24: 3961-3 (2014) | Kyowa Hakko Kirin Co., Ltd | 2D 3D TSV |
| 25001129 | 89 | Small molecule disruptors of the glucokinase-glucokinase regulatory protein interaction: 4. Exploration of a novel binding pocket. |
J Med Chem 57: 5949-64 (2014) | Amgen Inc | 2D 3D TSV |
| 25000588 | 72 | Discovery of selective and orally bioavailable protein kinase C¿ (PKC¿) inhibitors from a fragment hit. |
J Med Chem 58: 222-36 (2015) | AbbVie Bioresearch Center | 2D 3D TSV |
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