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25999205 1 In silico evaluation of human small heat shock protein HSP27: homology modeling, mutation analyses and docking studies.EBI Bioorg Med Chem 23: 3215-20 (2015) Universit£ degli Studi di Genova 2D 3D TSV
25998503 12 Activity and anion inhibition studies of thea-carbonic anhydrase from Thiomicrospira crunogena XCL-2 Gammaproteobacterium.EBI 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.EBI 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 receptor▀-selective agonists.EBI 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.BDB 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 atÁ (MOR),d (DOR), and┐ (KOR) Opioid Receptors.EBI 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.EBI J Nat Prod 78: 1262-70 (2015) Albert Ludwigs University Freiburg 2D 3D TSV
25993395 19 Functional Profiling of 2-Aminopyrimidine Histamine H4 Receptor Modulators.EBI J Med Chem 58: 7119-27 (2015) Janssen Research& Development, LLC 2D 3D TSV
25993269 140 Novel Bioactive Hybrid Compound Dual Targeting Estrogen Receptor and Histone Deacetylase for the Treatment of Breast Cancer.EBI 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-28,13▀-lactams as Potential Antiprostate Cancer Agents.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 2809-12 (2015) Bristol-Myers Squibb Co. 2D 3D TSV
25985283 96 Discovery of Selective Small-Molecule Inhibitors for the▀-Catenin/T-Cell Factor Protein-Protein Interaction through the Optimization of the Acyl Hydrazone Moiety.EBI 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.EBI 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.EBI 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 Mutant▀-N-acetylhexosaminidase Activity.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 4812-21 (2015) University of California 2D 3D TSV
25974391 78 Discovery of a Chemical Tool Inhibitor Targeting the Bromodomains of TRIM24 and BRPF.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 2514-8 (2015) MethylGene Inc. 2D 3D TSV
25970224 55 Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI J Med Chem 58: 4165-79 (2015) Eli Lilly and Company 2D 3D TSV
25965778 10 Novel myricetin derivatives: Design, synthesis and anticancer activity.EBI 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.EBI Eur J Med Chem 97: 142-54 (2015) Jagiellonian University Medical College 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.EBI J Med Chem 58: 4727-37 (2015) Lilly Biotechnology Center San Diego 2D 3D TSV
25958247 22 Synthesis and studies on the mGluR agonist activity of FAP4 stereoisomers.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB Chem Biol Drug Des 86: 1168-77 (2015) Sichuan University 2D 3D TSV
25938987 49 Is RK-682 a promiscuous enzyme inhibitor? Synthesis and inávitro evaluation of protein tyrosine phosphatase inhibition of racemic RK-682 and analogues.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 2321-5 (2015) Merck Research Laboratories 2D 3D TSV
25936260 8 Synthesis, biological activities and pharmacokinetic properties of new fluorinated derivatives of selective PDE4D inhibitors.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 2331-4 (2015) University of Iowa 2D 3D TSV
25935642 17 Discovery of novel N-aryl piperazine CXCR4 antagonists.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB Biochemistry 54: 3197-206 (2015) University of Kentucky 2D 3D TSV
25927480 36 Voltage-Gated Sodium Channels: Structure, Function, Pharmacology, and Clinical Indications.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 3696-704 (2015) Hiroshima International University 2D 3D TSV
25921264 21 Perspective: Tyrosine phosphatases as novel targets for antiplatelet therapy.EBI 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.BDB 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.BDB 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.EBI 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-▀-lactamases.BDB 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.EBI J Med Chem 58: 6717-32 (2015) Sapienza Universit£ di Roma 2D 3D TSV
25915084 4 Chemical Biology of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors.EBI 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.EBI Medchemcomm 6: 444-454 (2015) Chinese Academy of Medical Sciences and Peking Union Medical College 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI J Med Chem 58: 3997-4015 (2015) Purdue University 2D 3D TSV
25908516 10 Design, synthesis and biological evaluation of deuterated Tivozanib for improving pharmacokinetic properties.EBI Bioorg Med Chem Lett 25: 2425-8 (2015) Sichuan University 2D 3D TSV
25907369 17 Selaginellin and biflavonoids as protein tyrosine phosphatase 1B inhibitors from Selaginella tamariscina and their glucose uptake stimulatory effects.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 4180-93 (2015) Universit£t Leipzig 2D 3D TSV
25905468 3 9-Hydroxycanthin-6-one, a▀-Carboline Alkaloid from Eurycoma longifolia, Is the First Wnt Signal Inhibitor through Activation of Glycogen Synthase Kinase 3▀ without Depending on Casein Kinase 1a.EBI 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.EBI J Med Chem 58: 4220-9 (2015) Bristol-Myers Squibb Company 2D 3D TSV
25901531 211 Structure-activity relationship in a purine-scaffold compound series with selectivity for the endoplasmic reticulum Hsp90 paralog Grp94.EBI J Med Chem 58: 3922-43 (2015) Sloan-Kettering 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 2340-4 (2015) Peking University 2D 3D TSV
25898270 88 Discovery of a▀-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.EBI J Med Chem 58: 4638-47 (2015) University of Minnesota 2D 3D TSV
25898137 61 C7▀-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.EBI 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.EBI 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.EBI J Med Chem 58: 3892-909 (2015) Takeda Pharmaceutical Co., Ltd. 2D 3D TSV
25897704 11 Highly Selective Phosphatidylinositol 4-Kinase III▀ Inhibitors and Structural Insight into Their Mode of Action.EBI 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.EBI 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.EBI 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.BDB 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-▀-lactamase Inhibitors.EBI ACS Med Chem Lett 6: 455-60 (2015) Northwest University 2D 3D TSV
25893048 25 Novel benzamide-based histamine h3 receptor antagonists: the identification of two candidates for clinical development.EBI ACS Med Chem Lett 6: 450-4 (2015) Janssen Pharmaceutical Company 2D 3D TSV
25893046 77 Discovery of a Potent and Orally Bioavailable Dual Antagonist of CC Chemokine Receptors 2 and 5.EBI ACS Med Chem Lett 6: 439-44 (2015) Bristol-Myers Squibb Company 2D 3D TSV
25893045 44 Discovery of a Novel Series of Thienopyrimidine as Highly Potent and Selective PI3K Inhibitors.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 413-8 (2015) Translational Research Institute 2D 3D TSV
25893041 12 Discovery of a Dual PRMT5-PRMT7 Inhibitor.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 2133-40 (2015) Georgia State University 2D 3D TSV
25891102 14 PTP1B inhibitors from stems of Angelica keiskei (Ashitaba).EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 2953-74 (2015) Punjabi University 2D 3D TSV
25884115 2 A FRET-based assay for screening SIRT6 modulators.EBI 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.EBI Bioorg Med Chem 23: 2360-7 (2015) Daiichi Sankyo Co., Ltd. 2D 3D TSV
25882530 6 Synthesis and evaluation of novel amide amino-▀-lactam derivatives as cholesterol absorption inhibitors.EBI 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.EBI Bioorg Med Chem 23: 2489-97 (2015) NAS of Ukraine 2D 3D TSV
25882526 496 Structure activity relationship of selective GABA uptake inhibitors.EBI 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.EBI Bioorg Med Chem 23: 2387-407 (2015) Nerviano Medical Sciences S.r.l. 2D 3D TSV
25882523 120 The▀-carbonic anhydrase from the malaria mosquito Anopheles gambiae is highly inhibited by sulfonamides.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 2328-43 (2015) Washington University School of Medicine 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 2146-51 (2015) National Cancer Institute 2D 3D TSV
25881822 4 Synthesis and biological evaluation of novel pyrazoline derivatives as potent anti-inflammatory agents.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 11▀-Hydroxylase.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 2518-28 (2015) Hacettepe University 2D 3D TSV
25868744 51 Synthesis of new N-benzylpiperidine derivatives as cholinesterase inhibitors with▀-amyloid anti-aggregation properties and beneficial effects on memory in vivo.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB Chembiochem 16: 1350-6 (2015) University of Toronto 2D 3D TSV
25863492 44 N-Acylsulfonamides strongly inhibit human carbonic anhydrase isoenzymes I and II.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 2568-78 (2015) Takeda Pharmaceutical Company Ltd 2D 3D TSV
25862200 4 Structure-activity relationship studies of the lipophilic tail region of sphingosine kinase 2 inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 6336-47 (2015) Purdue University 2D 3D TSV
25856009 33 Discovery of I-BRD9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition.EBI 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).EBI 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.BDB 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).EBI 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).EBI 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.EBI J Med Chem 58: 3611-25 (2015) AstraZeneca 2D 3D TSV
25847771 121 Towards small molecule inhibitors of mono-ADP-ribosyltransferases.EBI 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.EBI Eur J Med Chem 95: 526-45 (2015) Sienabiotech S.p.A. 2D 3D TSV
25846066 88 Synthesis of a new series of dithiocarbamates with effective human carbonic anhydrase inhibitory activity and antiglaucoma action.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 1892-5 (2015) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
25840796 23 Identification of novel class of falcipain-2 inhibitors as potential antimalarial agents.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Nat Prod 78: 803-10 (2015) Chungnam National 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.EBI J Med Chem 58: 3957-74 (2015) Sichuan University 2D 3D TSV
25832441 1 Allotides: Proline-Rich Cystine Knota-Amylase Inhibitors from Allamanda cathartica.EBI 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.EBI 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.EBI Eur J Med Chem 94: 447-57 (2015) Nanjing University 2D 3D TSV
25827526 33 Histone H3 peptide based LSD1-selective inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 349-54 (2015) University of Illinois at Urbana-Champaign 2D 3D TSV
25815156 5 Positron emission tomography to elucidate pharmacokinetic differences of regioisomeric retinoid x receptor agonists.EBI 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.EBI 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.EBI 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).EBI 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.EBI ACS Med Chem Lett 6: 308-12 (2015) University of California at Davis 2D 3D TSV
25815150 4 Discovery of potent hexapeptide agonists to human neuromedin u receptor 1 and identification of their serum metabolites.EBI 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.EBI ACS Med Chem Lett 6: 296-301 (2015) Yuhan Research Institute 2D 3D TSV
25815148 10 a-Carbonic Anhydrases Possess Thioesterase Activity.EBI 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.EBI ACS Med Chem Lett 6: 282-6 (2015) Janssen Pharmaceutica N.V. 2D 3D TSV
25815144 17 Discovery of DS-1558: A Potent and Orally Bioavailable GPR40 Agonist.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 1665-70 (2015) University of Monastir 2D 3D TSV
25813158 29 Small cyclic agonists of iron regulatory hormone hepcidin.EBI Bioorg Med Chem Lett 25: 4961-9 (2015) University of California at Los Angeles 2D 3D TSV
25812967 6 Synthesis and biological evaluation of 2,4-diaminopyrimidines as selective Aurora A kinase inhibitors.EBI Eur J Med Chem 95: 174-84 (2015) Lanzhou University 2D 3D TSV
25812966 11 Design and synthesis of celastrol derivatives as anticancer agents.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI J Nat Prod 78: 896-900 (2015) National Cancer Institute 2D 3D TSV
25805446 30 Design, synthesis and biological evaluation of colchicine derivatives as novel tubulin and histone deacetylase dual inhibitors.EBI 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.EBI J Med Chem 58: 3582-92 (2015) CAMB UMR7199 CNRS/Universit£ de Strasbourg 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 2062-78 (2015) Birla Institute of Technology& Science-Pilani 2D 3D TSV
25801150 1 Cell-based biological evaluations of 5-(3-bromo-4-phenethoxybenzylidene)thiazolidine-2,4-dione as promising wound healing agent.EBI 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.EBI 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.EBI 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.EBI 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.BDB Bioorg Chem 59: 140-4 (2015) Universite de Strasbourg 2D 3D TSV
25800116 62 Synthesis and optimization of picolinamide derivatives as a novel class of 11▀-hydroxysteroid dehydrogenase type 1 (11▀-HSD1) inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 3534-47 (2015) Shanghai Jiao Tong University 2D 3D TSV
25799158 6 Volume of Distribution in Drug Design.EBI 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.EBI 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.BDB 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.EBI 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.EBI Bioorg Med Chem 23: 1747-57 (2015) Bioprojet-Biotech 2D 3D TSV
25794791 13 Recent advances in the chemistry and biology of pyridopyrimidines.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI J Med Chem 58: 3209-22 (2015) Universit£ di Ferrara 2D 3D TSV
25783191 87 Design, syntheses, and pharmacological characterization of 17-cyclopropylmethyl-3,14▀-dihydroxy-4,5a-epoxy-6a-(isoquinoline-3'-carboxamido)morphinan analogues as opioid receptor ligands.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 1782-6 (2015) Novartis Pharma AG 2D 3D TSV
25782055 9 Discovery of a Cyclic Boronic Acid▀-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases.EBI J Med Chem 58: 3682-92 (2015) Rempex Pharmaceuticals, Inc. 2D 3D TSV
25781377 10 Synthesis and bioactivity of▀-substituted fosmidomycin analogues targeting 1-deoxy-D-xylulose-5-phosphate reductoisomerase.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI Bioorg Med Chem 23: 1728-34 (2015) Universit£ degliStudi di Firenze 2D 3D TSV
25771484 5 Identification of novel inhibitors of Aurora A with a 3-(pyrrolopyridin-2-yl)indazole scaffold.EBI 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.EBI Bioorg Med Chem 23: 1841-8 (2015) University of Arizona 2D 3D TSV
25769015 2 Cystargolides, 20S Proteasome Inhibitors Isolated from Kitasatospora cystarginea.EBI 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.EBI 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.EBI 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 PPAR▀/d antagonist CC618.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 94: 163-74 (2015) Sapienza University of Roma 2D 3D TSV
25768699 1 Water-soluble isoindolo[2,1-a]quinoxalin-6-imines: in vitro antiproliferative activity and molecular mechanism(s) of action.EBI 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.EBI 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).EBI 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.EBI 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.EBI Bioorg Med Chem 23: 1402-12 (2015) Birla Institute of Technology& Science-Pilani 2D 3D TSV
25765912 14 Synthesis of a chondroitin sulfate disaccharide library and a GAG-binding protein interaction analysis.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 94: 123-31 (2015) The University of Arizona 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.EBI 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.EBI J Med Chem 58: 3302-14 (2015) Istituto di Ricerche di Biologia Molecolare 2D 3D TSV
25760146 49 3'-functionalized adamantyl cannabinoid receptor probes.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 1421-9 (2015) Siedlce University of Natural Sciences and Humanities 2D 3D TSV
25754495 103 The discovery of potent agonists for GPR88, an orphan GPCR, for the potential treatment of CNS disorders.EBI 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.EBI 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.EBI 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.EBI 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 receptor▀ agonists.EBI Bioorg Med Chem Lett 25: 1377-80 (2015) Lilly Research Laboratories 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.EBI Bioorg Med Chem Lett 25: 1552-5 (2015) Kagoshima University 2D 3D TSV
25752982 26 Loratadine analogues as MAGL inhibitors.EBI 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.EBI 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.EBI J Med Chem 58: 2623-48 (2015) Purdue University 2D 3D TSV
25746816 3 Synthesis of 3-azabicyclo[3.2.2]nonanes and their antiprotozoal activities.EBI 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.EBI Bioorg Med Chem Lett 25: 1479-82 (2015) Ono Pharmaceutical Co. 2D 3D TSV
25746813 37 SAH derived potent and selective EZH2 inhibitors.EBI 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.BDB 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.BDB 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI J Med Chem 58: 2834-44 (2015) AstraZeneca 2D 3D TSV
25736998 37 Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.EBI Bioorg Med Chem Lett 25: 1597-602 (2015) Merck Serono Research& Development 2D 3D TSV
25736996 1 Novel▀-amyloid aggregation inhibitors possessing a turn mimic.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 1613-28 (2015) The Beckman Research Institute 2D 3D TSV
25734520 104 Design and synthesis of orally bioavailable aminopyrrolidinone histone deacetylase 6 inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 1635-42 (2015) Bristol-Myers Squibb Company 2D 3D TSV
25728028 2 Identification of fused 16▀,17▀-oxazinone-estradiol derivatives as a new family of non-estrogenic 17▀-hydroxysteroid dehydrogenase type 1 inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI J Med Chem 58: 147-69 (2015) TBA 2D 3D TSV
25719566 27 Structure enabled design of BAZ2-ICR, a chemical probe targeting the bromodomains of BAZ2A and BAZ2B.EBI J Med Chem 58: 2553-9 (2015) The Institute of Cancer Research 2D 3D TSV
25716905 38 Discovery of hydroxyaniline amides as selective Extracellular Regulated Kinase (Erk) inhibitors.EBI Bioorg Med Chem Lett 25: 1627-9 (2015) Merck Research Laboratories 2D 3D TSV
25711603 12 A photorhabdus natural product inhibits insect juvenile hormone epoxide hydrolase.BDB Chembiochem 16: 766-71 (2015) Goethe Universitńt 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.EBI 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-3▀ Inhibitors and Anti-Ischemic Agents.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 93: 308-20 (2015) Alexandria University 2D 3D TSV
25706320 86 Synthesis, antioxidant and anticholinesterase activities of novel coumarylthiazole derivatives.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 1377-85 (2015) University of Massachusetts Medical School 2D 3D TSV
25701254 48 Novel tail and head group prostamide probes.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 1333-7 (2015) Genentech 2D 3D TSV
25701250 32 Inhibition of monoamine oxidase by indole-5,6-dicarbonitrile derivatives.EBI 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.EBI 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.EBI 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.BDB Chem Biol 22: 273-84 (2015) University of Florida College of Medicine; Northwest Agriculture and Forestry University 2D 3D TSV
25699576 42 Development of novel ACK1/TNK2 inhibitors using a fragment-based approach.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 187-91 (2015) University of Salerno 2D 3D TSV
25699156 24 Treating pain with somatostatin receptor subtype 4 agonists.EBI 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.EBI 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.EBI 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.EBI 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 A▀ Reduction without Cardiovascular Liabilities.EBI 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.EBI ACS Med Chem Lett 6: 198-203 (2015) Universit£ de Lille Nord de France 2D 3D TSV
25699148 41 Azepinone-Containing Tetrapeptide Analogues of Melanotropin Lead to Selective hMC4R Agonists and hMC5R Antagonist.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 173-7 (2015) Sapienza University of Roma 2D 3D TSV
25699144 5 Potent Irreversible Inhibitors of LasR Quorum Sensing in Pseudomonas aeruginosa.EBI 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.EBI ACS Med Chem Lett 6: 156-61 (2015) Pfizer Inc. 2D 3D TSV
25699140 53 Diphenylpyrazoles as replication protein a inhibitors.EBI 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.EBI ACS Med Chem Lett 6: 123-7 (2015) University of Minnesota 2D 3D TSV
25699136 16 Novel Pyridyloxadiazole Agonists of Sphingosin-1-phosphate.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 1318-23 (2015) GlaxoSmithKline Vaccines 2D 3D TSV
25695864 35 Identification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.EBI 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.EBI 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.EBI 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.EBI 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-▀-agarofuran Sesquiterpenes from Celastrus vulcanicola.EBI J Nat Prod 78: 736-45 (2015) Instituto Universitario de Bio-Org£nica Antonio Gonz£lez 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.EBI 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.EBI Bioorg Med Chem Lett 25: 1448-52 (2015) Bristol-Myers Squibb 2D 3D TSV
25690784 3 Discovery of 7-azaindole derivatives as potent Orai inhibitors showing efficacy in a preclinical model of asthma.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 93: 255-62 (2015) Sun Yat-Sen University 2D 3D TSV
25686392 3 Myxochelins target human 5-lipoxygenase.EBI 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.EBI 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.BDB 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.EBI 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).EBI 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.EBI 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).EBI Bioorg Med Chem Lett 25: 1310-7 (2015) Janssen Research and Development 2D 3D TSV
25682203 13 Pyrido-imidazodiazepinones as a new class of reversible inhibitors of human kallikrein 7.EBI Eur J Med Chem 93: 202-13 (2015) Universit£ de Montpellier 2D 3D TSV
25681712 16 Benzofuran-derived benzylpyridinium bromides as potent acetylcholinesterase inhibitors.EBI Eur J Med Chem 93: 196-201 (2015) Islamic Azad University 2D 3D TSV
25680029 12 Discovery of potent, orally bioavailable, small-molecule inhibitors of WNT signaling from a cell-based pathway screen.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 receptor▀-selective agonists.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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).EBI J Med Chem 58: 1669-90 (2015) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
25668341 50 Structure-based lead optimization and biological evaluation of BAX direct activators as novel potential anticancer agents.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 1104-9 (2015) Amgen Inc. 2D 3D TSV
25666822 19 Discovery of non-electrophilic capsaicinoid-type TRPA1 ligands.EBI 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.EBI 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.EBI 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.BDB 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-3▀ inhibitors and neuroprotective agents.EBI Bioorg Med Chem 23: 1179-88 (2015) Zhejiang University 2D 3D TSV
25661448 31 Rational design, synthesis and structure-activity relationships of 4-alkoxy- and 4-acyloxy-phenylethylenethiosemicarbazone analogues as novel tyrosinase inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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-3▀ inhibitors for Alzheimer's disease.EBI 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.EBI J Med Chem 58: 2275-89 (2015) F. Hoffmann-La Roche Ltd. 2D 3D TSV
25650314 95 Using click chemistry toward novel 1,2,3-triazole-linked dopamine D3 receptor ligands.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 1123-34 (2015) Chang Gung University 2D 3D TSV
25650310 4 Computer-aided discovery of aminopyridines as novel JAK2 inhibitors.EBI 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.EBI Bioorg Med Chem Lett 25: 993-7 (2015) Lilly China Research and Development Center (LCRDC) 2D 3D TSV
25648685 37 Cell-based and virtual fragment screening for adrenergica2C receptor agonists.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 2547-52 (2015) UMR7200 CNRS/Universit£ de Strasbourg 2D 3D TSV
25639862 5 Synthesis, characterization, and optimization for in vivo delivery of a nonselective isopeptidase inhibitor as new antineoplastic agent.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 1157-68 (2015) Zhejiang University 2D 3D TSV
25638496 2 GPCR crystal structures: Medicinal chemistry in the pocket.EBI 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.EBI Eur J Med Chem 92: 807-17 (2015) Universit£ de Lille 2D 3D TSV
25637123 29 Discovery of biphenyl-based VEGFR-2 inhibitors. Part 3: design, synthesis and 3D-QSAR studies.EBI 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.EBI 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).EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI J Med Chem 58: 2091-113 (2015) Mayo Clinic College of Medicine 2D 3D TSV
25633969 96 Optimization of 2-phenylcyclopropylmethylamines as selective serotonin 2C receptor agonists and their evaluation as potential antipsychotic agents.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 1117-23 (2015) McGill University 2D 3D TSV
25630223 5 Target engagement in lead generation.EBI 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..EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 1400-19 (2015) A* STAR (Agency of Science, Technology and Research) 2D 3D TSV
25626527 6 Novel Diketopiperazine Dihydroorotate Dehydrogenase Inhibitors Purified from Traditional Tibetan Animal Medicine Osteon Myospalacem Baileyi.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 and▀-amyloid aggregation inhibitors with neuroprotective properties.EBI 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.EBI 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.BDB Chem Biol Drug Des 86: 918-25 (2015) Birla Institute of Technology & Science-Pilani, Hyderabad Campus 2D 3D TSV
25619636 4 Computer-aided identification of novel anticancer compounds with a possible dual HER1/HER2 inhibition mechanism.EBI 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.BDB Chembiochem 16: 432-9 (2015) UniversitÚ Pierre et Marie Curie 2D 3D TSV
25618597 12 Design and synthesis of N-methylpyrimidone derivatives as HIV-1 integrase inhibitors.EBI Bioorg Med Chem 23: 735-41 (2015) Beijing University of Technology 2D 3D TSV
25618019 16 Interaction of human organic anion transporter polypeptides 1B1 andá1B3 with antineoplastic compounds.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 efficacious▀-secretase inhibitors for the potential treatment of Alzheimer's disease.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 92: 575-82 (2015) Univ Lille Nord de France 2D 3D TSV
25602734 4 Cell-permeable inhibitors of neuronal nitric oxide synthase open new prospects for the treatment of neurological disorders.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 887-92 (2015) Dr. Reddy's Laboratories Ltd 2D 3D TSV
25599838 9 Thiol-derivatized minihepcidins retain biological activity.EBI Bioorg Med Chem Lett 25: 763-6 (2015) University of California at 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 834-40 (2015) Amgen Inc. 2D 3D TSV
25597004 18 Iminosugars as a new class of cholinesterase inhibitors.EBI Bioorg Med Chem Lett 25: 830-3 (2015) Universit£ de Strasbourg/CNRS (UMR 7509) 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.EBI Bioorg Med Chem 23: 810-20 (2015) Universit£ degli Studi di Roma 'La Sapienza' 2D 3D TSV
25596757 64 Discovery of novel Bruton's tyrosine kinase (BTK) inhibitors bearing a pyrrolo[2,3-d]pyrimidine scaffold.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 956-9 (2015) Janssen Pharmaceutical Research& 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 the▀2 adrenoceptor.EBI Bioorg Med Chem Lett 25: 820-5 (2015) Instituto Polit£cnico Nacional 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.EBI 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.EBI Eur J Med Chem 92: 427-38 (2015) Central China Normal University 2D 3D TSV
25590533 245 Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1.BDB 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.EBI J Med Chem 58: 1159-83 (2015) Evotec (U.K.) Ltd 2D 3D TSV
25590374 23 Hupehenols A-E, selective 11▀-hydroxysteroid dehydrogenase type 1 (11▀-HSD1) inhibitors from Viburnum hupehense.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 84-8 (2015) Lexicon Pharmaceuticals 2D 3D TSV
25589935 1 Structural Analysis of the Binding of Type I, I1/2, and II Inhibitors to Eph Tyrosine Kinases.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 58-62 (2015) AbbVie 2D 3D TSV
25589930 62 Discovery of a Type III Inhibitor of LIM Kinase 2 That Binds in a DFG-Out Conformation.EBI ACS Med Chem Lett 6: 53-7 (2015) Lexicon Pharmaceuticals 2D 3D TSV
25589928 37 Structure-Based Drug Design of Novel, Potent, and Selective Azabenzimidazoles (ABI) as ATR Inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 23-4 (2015) Dart Neuroscience LLC 2D 3D TSV
25589923 20 Pyrrolopyridines-quinazolines Inhibitors of PKR-Like ER Kinase.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 11-2 (2015) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
25589917 6 Pyrrolopyrimidine Analogues as MKNK Inhibitors.EBI 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.EBI 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.EBI ACS Med Chem Lett 6: 3-6 (2015) Monash University (Parkville Campus) 2D 3D TSV
25587934 3 Sesquiterpenoid tropolone glycosides from Liriosma ovata.EBI 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).EBI 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.EBI J Med Chem 58: 1089-99 (2015) Sorbonne Universit£s 2D 3D TSV
25585009 26 Synthesis of novel inhibitors ofa-glucosidase based on the benzothiazole skeleton containing benzohydrazide moiety and their molecular docking studies.EBI Eur J Med Chem 92: 387-400 (2015) Universiti Teknologi MARA (UiTM) 2D 3D TSV
25584393 14 Discovery of potent heterodimeric antagonists of inhibitor of apoptosis proteins (IAPs) with sustained antitumor activity.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 908-13 (2015) Pfizer Inc. 2D 3D TSV
25582598 36 Development of novel Asf1-H3/H4 inhibitors.EBI 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.BDB 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.EBI J Med Chem 58: 1494-501 (2015) Griffith University 2D 3D TSV
25581017 8 Discovery of small molecule inhibitors to KrŘppel-like factor 10 (KLF10): implications for modulation of T regulatory cell differentiation.EBI 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.EBI J Med Chem 58: 1123-39 (2015) East China University of Science and Techology 2D 3D TSV
25577041 7 Benzimidazole-containing HCV NS5A inhibitors: effect of 4-substituted pyrrolidines in balancing genotype 1a and 1b potency.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 587-92 (2015) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
25575657 48 Structure-based design of low-nanomolar PIM kinase inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 1337-44 (2015) University of Massachusetts Medical School 2D 3D TSV
25559213 14 Highly selective salicylketoxime-based estrogen receptor▀ agonists display antiproliferative activities in a glioma model.EBI 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-▀-phenylalanine (AHPBA) displaying mixedÁ/d opioid receptor agonist andd opioid receptor antagonist activities.EBI 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.EBI 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.EBI 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?EBI 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).EBI J Med Chem 58: 860-77 (2015) Institut Pasteur 2D 3D TSV
25557493 109 Novel 5-HT6 receptor antagonists/D2 receptor partial agonists targeting behavioral and psychological symptoms of dementia.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 575-80 (2015) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
25556097 70 Synthesis, pharmacological evaluation and molecular modeling studies of triazole containing dopamine D3 receptor ligands.EBI Bioorg Med Chem Lett 25: 519-23 (2015) Washington University School of Medicine 2D 3D TSV
25556095 32 A selective small molecule NOP (ORL-1 receptor) partial agonist for the treatment of anxiety.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 90: 889-96 (2015) Anhui Medical University 2D 3D TSV
25553540 6 1,3,4-Thiadiazoles: a potent multi targeted pharmacological scaffold.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 92: 124-34 (2015) UMR 6014& FR 3038; Univ Rouen; INSA Rouen; CNRS 2D 3D TSV
25549551 66 Structure-based design of phthalimide derivatives as potential cyclooxygenase-2 (COX-2) inhibitors: anti-inflammatory and analgesic activities.EBI 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.EBI 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.EBI 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-▀-amyloid (A▀) aggregation and metal chelation properties against Alzheimer's disease.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 515-25 (2015) Anhui Medical University 2D 3D TSV
25540906 83 Identification and further development of potent TBK1 inhibitors.BDB 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.EBI 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.EBI Bioorg Med Chem 23: 564-78 (2015) China Pharmaceutical University 2D 3D TSV
25537272 17 Structure-based design, synthesis and biological evaluation of novel▀-secretase inhibitors containing a pyrazole or thiazole moiety as the P3 ligand.EBI Bioorg Med Chem Lett 25: 668-72 (2015) Purdue University 2D 3D TSV
25537270 6 Sulfonamides as multifunctional agents for Alzheimer's disease.EBI 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 ▀-lactamase and 6▀-(hydroxymethyl)penicillanic acid sulfone.BDB 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 659-63 (2015) Arena Pharmaceuticals Inc. 2D 3D TSV
25529740 12 Discovery of potent 1H-imidazo[4,5-b]pyridine-based c-Met kinase inhibitors via mechanism-directed structural optimization.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 11▀-hydroxysteroid dehydrogenase type 1 (11▀-HSD1).EBI Bioorg Med Chem Lett 25: 695-700 (2015) Republic of Korea; Research Institute of Pharmaceutical Science and College of Pharmacy 2D 3D TSV
25528720 12 Triazinoindole analogs as potent inhibitors of a-glucosidase: synthesis, biological evaluation and molecular docking studies.BDB 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 651-64 (2015) University of Minnesota 2D 3D TSV
25522110 21 Structure-based design of bacterial nitric oxide synthase inhibitors.EBI 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.EBI J Med Chem 58: 878-87 (2015) Universit£ de Strasbourg 2D 3D TSV
25517413 1 Total synthesis of clavatadine A.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 5: 1318-23 (2014) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
25516790 37 Discovery of APD334: Design of a Clinical Stage Functional Antagonist of the Sphingosine-1-phosphate-1 Receptor.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 PI3K▀ and PI3Kd for the treatment of PTEN-deficient cancers.EBI 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.EBI 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.EBI 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.BDB 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.BDB Bioorg Chem 58: 72-80 (2015) Birla Institute of Technology 2D 3D TSV
25499929 3 Synthesis and structure-activity relationships of pyridinyl-1H-1,2,3-triazolyldihydroisoxazoles as potent inhibitors of tubulin polymerization.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 89-104 (2014) Daiichi Sankyo Co., Ltd 2D 3D TSV
25497963 19 Bioactive constituents from the green alga Caulerpa racemosa.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 978-93 (2015) Janssen Research& Development 2D 3D TSV
25494650 8 CNS drug design: balancing physicochemical properties for optimal brain exposure.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 241-63 (2014) University of Oxford 2D 3D TSV
25486424 30 Synthesis, biological activity and molecular modeling of new biphenylic carboxamides as potent and selective CB2 receptor ligands.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 57: 10443-54 (2014) Nerviano Medical Sciences S.r.l. 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.EBI J Med Chem 57: 10544-50 (2014) University of Houston 2D 3D TSV
25474320 10 Nintedanib: from discovery to the clinic.EBI 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.EBI J Med Chem 58: 577-87 (2015) University of Queensland 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 23: 149-59 (2014) Peking University 2D 3D TSV
25468034 33 Synthesis of aminoalkyl-substituted aurone derivatives as acetylcholinesterase inhibitors.EBI 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.EBI 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.EBI 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 3▀ (GSK-3▀) with cellular activity of promoting glucose uptake.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 75-82 (2015) Genentech 2D 3D TSV
25466194 34 a-Ketoamino acid ester derivatives as promising MAO inhibitors.EBI Bioorg Med Chem Lett 25: 70-4 (2015) King Saud University 2D 3D TSV
25466191 17 Dibenzazepines and dibenzoxazepines as sodium channel blockers.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 5572-5 (2014) Lilly Research Laboratories 2D 3D TSV
25466176 7 ▀-Keto and▀-hydroxyphosphonate analogs of biotin-5'-AMP are inhibitors of holocarboxylase synthetase.EBI 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.EBI Bioorg Med Chem Lett 24: 5553-7 (2014) Vanderbilt University 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.BDB Bioorg Chem 58: 65-71 (2015) COMSATS Institute of Information Technology 2D 3D TSV
25462625 58 Salicylanilide diethyl phosphates as cholinesterases inhibitors.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 89: 421-41 (2014) Central China Normal University 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 89: 198-206 (2014) Univ Lille Nord de France 2D 3D TSV
25462239 12 Malonate-based inhibitors of mammalian serine racemase: kinetic characterization and structure-based computational study.EBI 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.EBI 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-11▀-hydroxylase.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI J Med Chem 57: 9958-70 (2014) AstraZeneca 2D 3D TSV
25458499 78 Rational design of novel CYP2A6 inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI Bioorg Med Chem Lett 24: 5507-11 (2015) Sapienza Universit£ di Roma 2D 3D TSV
25455492 22 Aurones as histone deacetylase inhibitors: identification of key features.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 5489-92 (2015) Janssen Pharmaceutical Research& Development, LLC 2D 3D TSV
25455488 46 Novel tricyclic pyrazolopyrimidines as potent and selective GPR119 agonists.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 5460-5 (2015) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
25455483 61 Discovery of potent iminoheterocycle BACE1 inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 58: 767-77 (2015) Southmead Hospital 2D 3D TSV
25454273 52 Anilinotriazoles as potent gamma secretase modulators.EBI Bioorg Med Chem Lett 24: 5805-13 (2014) Janssen Research& Development 2D 3D TSV
25454272 15 Dilazep analogues for the study of equilibrative nucleoside transporters 1 and 2 (ENT1 and ENT2).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 5721-6 (2014) Bristol-Myers Squibb Company 2D 3D TSV
25453807 13 A simple, general approach of allosteric coagulation enzyme inhibition through monosulfated hydrophobic scaffolds.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 5418-22 (2015) TBA 2D 3D TSV
25453799 1 Design, synthesis and anticancer evaluation of tetrahydro-▀-carboline-hydantoin hybrids.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI Bioorg Med Chem Lett 24: 5836-9 (2014) Takeda Pharmaceutical Company Limited 2D 3D TSV
25452001 19 Synthesis and SAR of thieno[3,2-b]pyridinyl urea derivatives as urotensin-II receptor antagonists.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 5175-80 (2014) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
25442305 4 Bioactive compounds from the insect Aspongopus chinensis.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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, [╣8F]FB-ML5, as a molecular probe for non-invasive MMP/ADAM-targeted imaging.EBI 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.EBI 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.EBI Bioorg Med Chem 22: 6430-7 (2014) Hamburg University 2D 3D TSV
25438766 38 Inhibition of myeloperoxidase: evaluation of 2H-indazoles and 1H-indazolones.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 5111-7 (2014) Rhône-Poulenc Rorer 2D 3D TSV
25435471 1 Norbornane-based nucleoside and nucleotide analogues locked in North conformation.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 25: 20-4 (2014) CNRS-Universit£ Montpellier I et Universit£ Montpellier II 2D 3D TSV
25435151 34 Liver X receptor (LXR) partial agonists: biaryl pyrazoles and imidazoles displaying a preference for LXR▀.EBI Bioorg Med Chem Lett 25: 372-7 (2014) Bristol-Myers Squibb 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.EBI 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.EBI Bioorg Med Chem Lett 25: 48-52 (2014) Purdue Pharma L.P. 2D 3D TSV
25435145 8 2-Substituted N┐-glutamylanilides as novel probes of ASCT2 with improved potency.EBI 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.EBI J Nat Prod 78: 562-75 (2015) University of California San Diego 2D 3D TSV
25432025 34 Discovery of a phosphodiesterase 9A inhibitor as a potential hypoglycemic agent.EBI J Med Chem 57: 10304-13 (2014) Sun Yat-Sen University 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.EBI J Med Chem 57: 10424-42 (2014) GlaxoSmithKline 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI J Med Chem 57: 10455-63 (2014) Laboratorio de Qu�mica M�dica, (IQOG, CSIC) 2D 3D TSV
25418070 2 Electrophilic warhead-based design of compounds preventing NLRP3 inflammasome-dependent pyroptosis.EBI 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.EBI J Med Chem 57: 9945-57 (2014) Sapienza Universit£ di Roma 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 5: 1219-24 (2014) Washington University School of Medicine 2D 3D TSV
25408831 1 Enantiopure Cyclopropane-Bearing Pyridyldiazabicyclo[3.3.0]octanes as Selectivea4▀2-nAChR Ligands.EBI 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.EBI ACS Med Chem Lett 5: 1190-5 (2014) GlaxoSmithKline 2D 3D TSV
25408829 10 Pyrazolsulfonamide agonists of oxytocin receptor.EBI 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.EBI 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.EBI 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.EBI 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.BDB Biochemistry 53: 7445-58 (2014) North Dakota State University 2D 3D TSV
25406944 20 Targeting DNA methylation with small molecules: what's next?EBI J Med Chem 58: 2569-83 (2015) CNRS-Pierre Fabre 2D 3D TSV
25406853 72 Selective inhibitors of protein methyltransferases.EBI 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.EBI J Med Chem 57: 9915-32 (2014) Bristol-Myers Squibb 2D 3D TSV
25396320 8 Small-molecule inhibitors of the MDM2-p53 protein-protein interaction (MDM2 Inhibitors) in clinical trials for cancer treatment.EBI 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.EBI 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.EBI 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.EBI 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 xanthene▀-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors.EBI 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.EBI 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.EBI 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.BDB ACS Chem Biol 10: 421-32 (2015) Vanderbilt University 2D 3D TSV
25384240 4 Discovery heralds new approach to the treatment of cystic fibrosis.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.BDB 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI J Med Chem 57: 9539-53 (2014) University of Liege 2D 3D TSV
25375026 14 Structures and bioactivities of dihydrochalcones from Metrodorea stipularis.EBI 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.EBI 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).EBI J Med Chem 57: 10080-100 (2014) KU Leuven 2D 3D TSV
25369539 116 SAR156497, an exquisitely selective inhibitor of aurora kinases.EBI 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.EBI J Med Chem 57: 9512-21 (2014) Chinese Academy of Sciences 2D 3D TSV
25369367 25 ▀-Lactam estrogen receptor antagonists and a dual-targeting estrogen receptor/tubulin ligand.EBI J Med Chem 57: 9370-82 (2014) Trinity College 2D 3D TSV
25369270 93 Triazolopyridines as selective JAK1 inhibitors: from hit identification to GLPG0634.EBI 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.EBI J Med Chem 57: 9124-9 (2014) Novartis Institutes for Biomedical Research 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.EBI J Med Chem 57: 9447-62 (2014) Domainex Ltd. 2D 3D TSV
25365140 5 Reversible ketomethylene-based inhibitors of human neutrophil proteinase 3.EBI J Med Chem 57: 9396-408 (2014) University of Bergen 2D 3D TSV
25364867 15 Inhibiting the deubiquitinating enzymes (DUBs).EBI J Med Chem 58: 1581-95 (2015) Genentech 2D 3D TSV
25363711 62 Inhibitors of▀-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).EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.BDB 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.BDB Chem Biol Drug Des 85: 685-95 (2015) Pontificia Universidad Catˇlica 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.BDB 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.BDB 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.EBI 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.EBI J Med Chem 57: 9473-9 (2014) Max Planck Institute of Psychiatry 2D 3D TSV
25316315 18 Discovery of a novel pyrazole series of group X secreted phospholipase A2 inhibitor (sPLA2X) via fragment based virtual screening.EBI Bioorg Med Chem Lett 24: 5251-5 (2014) AstraZeneca 2D 3D TSV
25314628 12 Fragment-based screening of the bromodomain of ATAD2.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 5: 1138-42 (2014) Lilly Research Laboratories 2D 3D TSV
25313325 8 Saralasin and Sarile Are AT2 Receptor Agonists.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 5: 1088-93 (2014) AbbVie, Inc. 2D 3D TSV
25313316 20 3-Cyano-3-aza-▀-amino Acid Derivatives as Inhibitors of Human Cysteine Cathepsins.EBI ACS Med Chem Lett 5: 1076-81 (2014) University of Bonn 2D 3D TSV
25311564 30 Thieno[2,3-b]pyridines--a new class of multidrug resistance (MDR) modulators.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 ROR▀ and ROR┐t.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 22: 5776-82 (2014) University of Pune 2D 3D TSV
25298094 28 Plant-derived flavones as inhibitors of aurora B kinase and their quantitative structure-activity relationships.BDB Chem Biol Drug Des 85: 574-85 (2015) Konkuk University 2D 3D TSV
25290020 4 n-Alkylboronic acid inhibitors reveal determinants of ligand specificity in the quorum-quenching and siderophore biosynthetic enzyme PvdQ.BDB Biochemistry 53: 6679-86 (2014) The University of Texas 2D 3D TSV
25288494 13 Structure-activity relationships of the thujaplicins for inhibition of human tyrosinase.EBI 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.EBI Bioorg Med Chem 22: 5910-6 (2014) 25288493 2D 3D TSV
25288188 64 2-Guanidinoquinazolines as new inhibitors of the STAT3 pathway.EBI Bioorg Med Chem Lett 24: 5081-5 (2014) University of Pittsburgh Chemical Diversity Center 2D 3D TSV
25288187 45 Bioavailable pyrrolo-benzo-1,4-diazines as Na(v)1.7 sodium channel blockers for the treatment of pain.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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).EBI Bioorg Med Chem 22: 6694-705 (2014) University of Eastern Finland 2D 3D TSV
25282654 56 Design, synthesis and evaluation of novel tacrine-(▀-carboline) hybrids as multifunctional agents for the treatment of Alzheimer's disease.EBI 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.EBI Bioorg Med Chem 22: 6134-45 (2014) Birla Institute of Technology& Science-Pilani 2D 3D TSV
25282649 19 Discovery and structure-activity relationship studies of irreversible benzisothiazolinone-based inhibitors against Staphylococcus aureus sortase A transpeptidase.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 5093-7 (2014) Sungkyunkwan University 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.EBI J Med Chem 57: 10241-56 (2014) Central University of Punjab 2D 3D TSV
25278234 25 Discovery of tetrahydroisoquinoline-based bivalent heterodimeric IAP antagonists.EBI 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.EBI 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.EBI 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.EBI 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).EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 57: 8903-27 (2014) The University of Mississippi 2D 3D TSV
25268757 16 How a▀-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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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 (11▀-HSD1) inhibitors for the treatment of metabolic disorders.EBI Bioorg Med Chem Lett 24: 5045-9 (2014) Bristol-Myers Squibb 2D 3D TSV
25266780 54 Ejection of structural zinc leads to inhibition of┐-butyrobetaine hydroxylase.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 57: 8886-902 (2014) Takeda Pharmaceutical Company Limited 2D 3D TSV
25264584 20 Synthesis of oleanolic acid derivatives: In vitro, in vivo and in silico studies for PTP-1B inhibition.EBI 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.EBI 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.EBI ACS Med Chem Lett 5: 954-5 (2014) Therachem Research Medilab (India) Pvt. Ltd. 2D 3D TSV
25262942 189 Rational design of inhibitors of the bacterial cell wall synthetic enzyme GlmU using virtual screening and lead-hopping.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 4838-44 (2014) Glenmark Pharmaceuticals Limited 2D 3D TSV
25259874 62 Potent heterocyclic ligands for human complement c3a receptor.EBI 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-▀ aggregation and to exert anticholinesterase and antioxidant effects.EBI 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.EBI 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 17▀-hydroxysteroid dehydrogenase type 2 inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 57: 8056-71 (2014) University of Natural Resources and Life Sciences 2D 3D TSV
25250725 295 Identification and development of biphenyl substituted iminosugars as improved dual glucosylceramide synthase/neutral glucosylceramidase inhibitors.EBI 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.EBI J Med Chem 57: 8111-31 (2014) GlaxoSmithKline R&D 2D 3D TSV
25248682 18 Synthesis of new pyridazino[4,5-b]indol-4-ones and pyridazin-3(2H)-one analogs as DYRK1A inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 57: 8646-51 (2014) Kyoto University 2D 3D TSV
25245672 5 Substituted thieno[2,3-b]thiophenes and related congeners: Synthesis,▀-glucuronidase inhibition activity, crystal structure, and POM analyses.EBI 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.EBI J Med Chem 57: 7990-8 (2014) Yonsei University 2D 3D TSV
25241927 64 Piperazinyl-oxadiazoles as selective sphingosine-1-phosphate receptor agonists.EBI Bioorg Med Chem Lett 24: 4807-11 (2014) Boehringer Ingelheim Pharmaceuticals 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI J Med Chem 57: 8664-70 (2014) Imperial College London 2D 3D TSV
25238555 3 Repurposing the antihistamine terfenadine for antimicrobial activity against Staphylococcus aureus.EBI 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.EBI J Med Chem 57: 8398-420 (2014) University of Hawai'i at Hilo 2D 3D TSV
25238284 52 Identification of a novel aminotetralin class of HDAC6 and HDAC8 selective inhibitors.EBI 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 and▀ and the proton-coupled folate transporter.EBI 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.EBI J Med Chem 57: 8358-77 (2014) R&D Sigma-Tau Industrie Farmaceutiche Riunite SpA 2D 3D TSV
25232969 23 Chalcones as positive allosteric modulators ofa7 nicotinic acetylcholine receptors: a new target for a privileged structure.EBI 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.EBI 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.EBI Eur J Med Chem 86: 700-9 (2014) Universidad de Valencia 2D 3D TSV
25227162 14 1,2-Diaryl-2-hydroxyiminoethanones as dual COX-1 and ▀-amyloid aggregation inhibitors: biological evaluation and in silico study.BDB 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.EBI 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.EBI J Med Chem 57: 8517-29 (2014) University of Bath 2D 3D TSV
25224652 6 Reversible Covalent Inhibition of eEF-2K by Carbonitriles.BDB 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.BDB 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.EBI 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.EBI ACS Med Chem Lett 5: 1060-4 (2014) Vanderbilt University 2D 3D TSV
25221666 20 Acyclic tethers mimicking subunits of polysaccharide ligands: selectin antagonists.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 5: 1037-42 (2014) Heidelberg University 2D 3D TSV
25221662 24 Novel cyclic biphalin analogue with improved antinociceptive properties.EBI 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.EBI 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.EBI 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.EBI 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.EBI ACS Med Chem Lett 5: 999-1004 (2014) Korea University 2D 3D TSV
25221654 39 Design and Synthesis of Orally Bioavailable Benzimidazole Reverse Amides as Pan RAF Kinase Inhibitors.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 86: 613-27 (2014) Birla Institute of Technology& Science - Pilani 2D 3D TSV
25218909 13 Anti-tyrosinase, antioxidant, and antibacterial activities of novel 5-hydroxy-4-acetyl-2,3-dihydronaphtho[1,2-b]furans.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI J Med Chem 57: 7731-57 (2014) Albany Molecular Research 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Eur J Med Chem 86: 481-90 (2014) Shandong University 2D 3D TSV
25203462 49 Discovery of 2-pyridylureas as glucokinase activators.EBI 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.EBI Eur J Med Chem 86: 438-48 (2014) Shanghai Institute of Materia Medica (SIMM) 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.EBI 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 kineticsBDB 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 4714-23 (2014) Genentech Inc. 2D 3D TSV
25193229 102 Alpha-ethyltryptamines as dual dopamine-serotonin releasers.EBI 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.EBI Bioorg Med Chem 22: 5487-505 (2014) Takeda Pharmaceutical Company 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem 22: 5428-45 (2014) Takeda Pharmaceutical Company Limited 2D 3D TSV
25184810 4 Structural evidence of N6-isopentenyladenosine as a new ligand of farnesyl pyrophosphate synthase.EBI 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.EBI 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.EBI 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.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI J Med Chem 58: 237-51 (2015) Universit£ Paris Descartes 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.EBI 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.EBI 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.EBI 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.EBI 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.EBI Bioorg Med Chem Lett 24: 4603-6 (2014) Toray Industries, Inc. 2D 3D TSV
25176189 7 Design, synthesis and biological evaluation of▀-boswellic acid based HDAC inhibitors as inducers of cancer cell death.EBI Bioorg Med Chem Lett 24: 4729-34 (2014) CSIR-Indian Institute of Integrative Medicine 2D 3D TSV
25176013 70 Potent 11▀-hydroxylase inhibitors with inverse metabolic stability in human plasma and hepatic S9 fractions to promote wound healing.EBI 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.EBI 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.BDB 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.EBI 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.EBI 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.EBI 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.EBI 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 the▀-class carbonic anhydrase (PgiCAb) from the oral pathogen Porphyromonas gingivalis.EBI Bioorg Med Chem Lett 24: 4402-6 (2014) Universit£ degli Studi di Firenze 2D 3D TSV
25168746 28