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23999047 9 N-Glucosides as human sodium-dependent glucose cotransporter 2 (hSGLT2) inhibitors.EBI Bioorg Med Chem Lett 23: 5641-5 (2013) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
23999043 1 Design and synthesis of MMP inhibitors with appended fluorescent tags for imaging and visualization of matrix metalloproteinase enzymes.EBI Bioorg Med Chem Lett 23: 5566-70 (2013) Mallinckrodt Pharmaceuticals 2D 3D TSV
23999040 27 Design, synthesis, and biological evaluation of novel 3-pyrrolo[b]cyclohexylene-2-dihydroindolinone derivatives as potent receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 23: 5630-3 (2013) Nanjing University of Technology 2D 3D TSV
23998921 19 Thienopyrimidine bisphosphonate (ThPBP) inhibitors of the human farnesyl pyrophosphate synthase: optimization and characterization of the mode of inhibition.EBI J Med Chem 56: 7939-50 (2013) McGill University 2D 3D TSV
23994869 6 Chemopreventive and antioxidant activity of 6-substituted imidazo[2,1-b]thiazoles.EBI Eur J Med Chem 68: 412-21 (2013) Universit£ di Bologna 2D 3D TSV
23994329 12 Design, synthesis and evaluation of 7-azaindazolyl-indolyl-maleimides as glycogen synthase kinase-3▀ (GSK-3▀) inhibitors.EBI Eur J Med Chem 68: 361-71 (2013) Zhejiang University 2D 3D TSV
23994326 9 6-Cyclohexylmethoxy-5-(cyano-NNO-azoxy)pyrimidine-4-amine: a new scaffold endowed with potent CDK2 inhibitory activity.EBI Eur J Med Chem 68: 333-8 (2013) Universit£ degli Studi di Torino 2D 3D TSV
23994324 28 Highly potent dipeptidyl peptidase IV inhibitors derived from Alogliptin through pharmacophore hybridization and lead optimization.EBI Eur J Med Chem 68: 312-20 (2013) First Affiliated Hospital of Guangzhou Medical University 2D 3D TSV
23993776 17 Discovery of ZAP70 inhibitors by high-throughput docking into a conformation of its kinase domain generated by molecular dynamics.EBI Bioorg Med Chem Lett 23: 5721-6 (2013) University of Zurich 2D 3D TSV
23993674 9 Hydroxyquinoline-derived compounds and analoguing of selective Mcl-1 inhibitors using a functional biomarker.EBI Bioorg Med Chem 21: 6642-9 (2013) Eutropics Pharmaceuticals 2D 3D TSV
23993670 2 Novel BACE1 inhibitors with a non-acidic heterocycle at the P1' position.EBI Bioorg Med Chem 21: 6665-73 (2013) Kyoto Pharmaceutical University 2D 3D TSV
23993667 9 Synthesis and evaluation of novel azetidine analogs as potent inhibitors of vesicular [3H]dopamine uptake.EBI Bioorg Med Chem 21: 6771-7 (2013) University of Kentucky 2D 3D TSV
23993336 24 Preparation of imidazoles as potent calcitonin gene-related peptide (CGRP) antagonists.EBI Bioorg Med Chem Lett 23: 5684-8 (2013) Bristol-Myers Squibb 2D 3D TSV
23993334 70 3-Ylidenephthalides as a new class of transient receptor potential channel TRPA1 and TRPM8 modulators.EBI Bioorg Med Chem Lett 23: 5614-8 (2013) Sapienza Universit£ di Roma 2D 3D TSV
23993333 27 Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.EBI Bioorg Med Chem Lett 23: 5674-9 (2013) Northwestern University 2D 3D TSV
23993328 41 Synthesis and biological evaluation of 2-amino-5-aryl-3-benzylthiopyridine scaffold based potent c-Met inhibitors.EBI Bioorg Med Chem 21: 6804-20 (2013) Chinese Academy of Sciences 2D 3D TSV
23992859 2 Emerging technologies for metabolite generation and structural diversification.EBI Bioorg Med Chem Lett 23: 5471-83 (2013) AbbVie Bioresearch Center 2D 3D TSV
23992105 4 Studies toward the development of new silicon-containing building blocks for the direct (18)F-labeling of peptides.EBI J Med Chem 56: 7552-63 (2013) Institute of Technology (ETH) Zurich 2D 3D TSV
23991897 36 Synthesis and structure-activity relationship (SAR) of 2-methyl-4-oxo-3-oxetanylcarbamic acid esters, a class of potent N-acylethanolamine acid amidase (NAAA) inhibitors.EBI J Med Chem 56: 6917-34 (2013) Istituto Italiano di Tecnologia 2D 3D TSV
23988485 5 Synthesis and enzymatic evaluation of phosphoramidon and its▀ anomer: Anomerization ofa-l-rhamnose triacetate upon phosphitylation.EBI Bioorg Med Chem 21: 6778-87 (2013) Jiangxi Science and Technology Normal University 2D 3D TSV
23988412 39 Design, synthesis, docking study and biological evaluation of some novel tetrahydrochromeno [3',4':5,6]pyrano[2,3-b]quinolin-6(7H)-one derivatives against acetyl- and butyrylcholinesterase.EBI Eur J Med Chem 68: 291-300 (2013) Tehran University of Medical Sciences 2D 3D TSV
23988409 32 Design, synthesis, biological evaluation and docking study of 5-oxo-4,5-dihydropyrano[3,2-c]chromene derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors.EBI Eur J Med Chem 68: 260-9 (2013) Tehran University of Medical Sciences 2D 3D TSV
23988122 7 Modulation of aldose reductase inhibition by halogen bond tuning.BDB ACS Chem Biol 8: 2484-92 (2013) Academy of Sciences of the Czech Republic 2D 3D TSV
23984975 29 Divergent structure-activity relationships of structurally similar acetylcholinesterase inhibitors.EBI J Med Chem 56: 7615-24 (2013) Ume£ University 2D 3D TSV
23981939 32 N-substituted 8-aminopentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecanes ass receptor ligands with potential neuroprotective effects.EBI Bioorg Med Chem 21: 6038-52 (2013) The University of Sydney 2D 3D TSV
23981898 20 Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective▀-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid▀-peptides.EBI Bioorg Med Chem Lett 23: 5300-6 (2013) Novartis Pharma AG 2D 3D TSV
23981897 6 Synthesis and biological analysis of benzazol-2-yl piperazine sulfonamides as 11▀-hydroxysteroid dehydrogenase 1 inhibitors.EBI Bioorg Med Chem Lett 23: 5397-400 (2013) Leopold-Franzens-Universit£t 2D 3D TSV
23981530 46 The carbonate analogues of 5'-halogenated resiniferatoxin as TRPV1 ligands.EBI Eur J Med Chem 68: 233-43 (2013) Seoul National University 2D 3D TSV
23981088 10 Synthesis, resolution, and biological evaluation of atropisomeric (aR)- and (aS)-16-methyllamellarins N: unique effects of the axial chirality on the selectivity of protein kinases inhibition.EBI J Med Chem 56: 7289-301 (2013) Nagasaki University 2D 3D TSV
23981033 44 Spirolactam-based acetyl-CoA carboxylase inhibitors: toward improved metabolic stability of a chromanone lead structure.EBI J Med Chem 56: 7110-9 (2013) Pfizer Inc. 2D 3D TSV
23978650 2 Investigation of an F-18 oxytocin receptor selective ligand via PET imaging.EBI Bioorg Med Chem Lett 23: 5415-20 (2013) Emory University 2D 3D TSV
23978130 24 Crystallographic fragment screening and structure-based optimization yields a new class of influenza endonuclease inhibitors.BDB ACS Chem Biol 8: 2501-8 (2013) Rutgers University 2D 3D TSV
23977883 54 Inhibition of hypoxia-inducible factor prolyl hydroxylase domain oxygen sensors: tricking the body into mounting orchestrated survival and repair responses.EBI J Med Chem 56: 9369-402 (2014) Janssen Pharmaceutical Research& Development, LLC 2D 3D TSV
23974014 16 Toward the design of new DNA G-quadruplex ligands through rational analysis of polymorphism and binding data.EBI Eur J Med Chem 68: 139-49 (2013) Universit£ degli Studi"Magna Gr£cia" 2D 3D TSV
23973211 145 Fragment-based discovery of focal adhesion kinase inhibitors.EBI Bioorg Med Chem Lett 23: 5401-9 (2013) Merck KGaA 2D 3D TSV
23972441 40 Novel tetrahydropyran analogs as dipeptidyl peptidase IV inhibitors: profile of clinical candidate (2R,3S,5R)-2-(2,5-difluorophenyl)-5-[2-(methylsulfonyl)-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]tetrahydro-2H-pyran-3-amine (23).EBI Bioorg Med Chem Lett 23: 5361-6 (2013) Merck Research Laboratories 2D 3D TSV
23968551 55 New nucleotide-competitive non-nucleoside inhibitors of terminal deoxynucleotidyl transferase: discovery, characterization, and crystal structure in complex with the target.EBI J Med Chem 56: 7431-41 (2013) Sapienza" Universit£ di Roma 2D 3D TSV
23968501 85 Inhibiting aberrant signal transducer and activator of transcription protein activation with tetrapodal, small molecule Src homology 2 domain binders: promising agents against multiple myeloma.EBI J Med Chem 56: 7190-200 (2013) University of Toronto Mississauga 2D 3D TSV
23968485 67 Design, synthesis, and characterization of novel tetrahydropyran-based bacterial topoisomerase inhibitors with potent anti-gram-positive activity.EBI J Med Chem 56: 7396-415 (2013) Actelion Pharmaceuticals Ltd 2D 3D TSV
23965125 26 Experimental and structural testing module to analyze paralogue-specificity and affinity in the Hsp90 inhibitors series.EBI J Med Chem 56: 6803-18 (2013) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
23964991 11 Anti-inflammatory effects of extracellular cyclosporins are exclusively mediated by CD147.EBI J Med Chem 56: 7302-11 (2013) Max-Planck Research Unit for Enzymology of Protein Folding 2D 3D TSV
23964961 9 Potent histone deacetylase inhibitors derived from 4-(aminomethyl)-N-hydroxybenzamide with high selectivity for the HDAC6 isoform.EBI J Med Chem 56: 7201-11 (2013) Millennium Pharmaceuticals, Inc. 2D 3D TSV
23964901 3 Structure of thes1 receptor and its ligand binding site.EBI J Med Chem 56: 9809-19 (2013) Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster 2D 3D TSV
23964859 48 Identification of a novel series of orexin receptor antagonists with a distinct effect on sleep architecture for the treatment of insomnia.EBI J Med Chem 56: 7590-607 (2013) Novartis Institutes for BioMedical Research 2D 3D TSV
23964788 56 Identification of the KDM2/7 histone lysine demethylase subfamily inhibitor and its antiproliferative activity.EBI J Med Chem 56: 7222-31 (2013) Kyoto Prefectural University of Medicine 2D 3D TSV
23964740 68 Optimization of activity, selectivity, and liability profiles in 5-oxopyrrolopyridine DPP4 inhibitors leading to clinical candidate (Sa)-2-(3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-N,N-dimethylacetamide (BMS-767778).EBI J Med Chem 56: 7343-57 (2013) Bristol-Myers Squibb 2D 3D TSV
23961878 1 Identification and optimization of pteridinone Toll-like receptor 7 (TLR7) agonists for the oral treatment of viral hepatitis.EBI J Med Chem 56: 7324-33 (2013) Gilead Sciences 2D 3D TSV
23960073 8 FRAX597, a small molecule inhibitor of the p21-activated kinases, inhibits tumorigenesis of neurofibromatosis type 2 (NF2)-associated Schwannomas.BDB J Biol Chem 288: 29105-14 (2013) The Scripps Research Institute 2D 3D TSV
23958516 61 Design, synthesis, and structure-activity relationships of dihydrofuran-2-one and dihydropyrrol-2-one derivatives as novel benzoxazin-3-one-based mineralocorticoid receptor antagonists.EBI Bioorg Med Chem 21: 5983-94 (2013) Takeda Pharmaceutical Company Limited 2D 3D TSV
23957426 14 Identification of cryptotanshinone as an inhibitor of oncogenic protein tyrosine phosphatase SHP2 (PTPN11).EBI J Med Chem 56: 7212-21 (2013) Case Western Reserve University 2D 3D TSV
23957390 20 Discovery of HIV-1 integrase inhibitors: pharmacophore mapping, virtual screening, molecular docking, synthesis, and biological evaluation.BDB Chem Biol Drug Des 83: 154-66 (2014) Institute of Pharmacy, Nirma University, Ahmedabad, 382 481, India. 2D 3D TSV
23957301 22 Antioxidant, a-glucosidase and xanthine oxidase inhibitory activity of bioactive compounds from maize (Zea mays L.).BDB Chem Biol Drug Des 83: 119-25 (2014) SRTM University, Nanded, Maharashtra, 431606, India; Department of Molecular Biotechnology, College of Life and Environmental Sciences, Konkuk University, Seoul, 143-701, South Korea. 2D 3D TSV
23955344 9 Pre-existent asymmetry in the human cyclooxygenase-2 sequence homodimer.BDB J Biol Chem 288: 28641-55 (2013) University of Michigan Medical School 2D 3D TSV
23953689 37 Design, synthesis, biological and structural evaluation of functionalized resveratrol analogues as inhibitors of quinone reductase 2.EBI Bioorg Med Chem 21: 6022-37 (2013) Purdue University 2D 3D TSV
23953189 53 Identification of potent, selective, CNS-targeted inverse agonists of the ghrelin receptor.EBI Bioorg Med Chem Lett 23: 5410-4 (2013) Pfizer Inc. 2D 3D TSV
23953070 146 Discovery of potent and selective nonsteroidal indazolyl amide glucocorticoid receptor agonists.EBI Bioorg Med Chem Lett 23: 5442-7 (2013) Ironwood Pharmaceuticals 2D 3D TSV
23952265 84 Testing the substrate-envelope hypothesis with designed pairs of compounds.BDB ACS Chem Biol 8: 2433-41 (2013) Massachusetts Institute of Technology 2D 3D TSV
23947773 79 Dihydrothiazolopyridone derivatives as a novel family of positive allosteric modulators of the metabotropic glutamate 5 (mGlu5) receptor.EBI J Med Chem 56: 7243-59 (2013) Janssen Research and Development 2D 3D TSV
23947754 74 Development of new deoxycytidine kinase inhibitors and noninvasive in vivo evaluation using positron emission tomography.EBI J Med Chem 56: 6696-708 (2013) California NanoSystems Institute 2D 3D TSV
23944843 60 Lessons from (S)-6-(1-(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)quinoline (PF-04254644), an inhibitor of receptor tyrosine kinase c-Met with high protein kinase selectivity but broad phosphodiesterase family inhibition leading to myocardial degeneration in rats.EBI J Med Chem 56: 6651-65 (2013) Pfizer Inc. 2D 3D TSV
23944386 55 Discovery of selective small molecule type III phosphatidylinositol 4-kinase alpha (PI4KIIIa) inhibitors as anti hepatitis C (HCV) agents.EBI J Med Chem 57: 2091-106 (2014) GlaxoSmithKline 2D 3D TSV
23942421 43 The first synthesis of natural disulfide bruguiesulfurol and biological evaluation of its derivatives as a novel scaffold for PTP1B inhibitors.EBI Bioorg Med Chem Lett 23: 5061-5 (2013) Chinese Academy of Sciences 2D 3D TSV
23941108 1 Casuarinines A-J, lycodine-type alkaloids from Lycopodiastrum casuarinoides.EBI J Nat Prod 76: 1475-84 (2013) Fudan University 2D 3D TSV
23941044 7 Substituted tetrahydroisoquinolines as selective antagonists for the orexin 1 receptor.EBI J Med Chem 56: 6901-16 (2013) Research Triangle Institute 2D 3D TSV
23940047 7 Nicotinamide adenine dinucleotide-induced multimerization of the co-repressor CtBP1 relies on a switching tryptophan.BDB J Biol Chem 288: 27836-48 (2013) Oregon Health and Science University 2D 3D TSV
23938053 36 Synthesis and biological evaluation of novel benzyl-substituted (S)-phenylalanine derivatives as potent dipeptidyl peptidase 4 inhibitors.EBI Bioorg Med Chem 21: 5679-87 (2013) Zhejiang University 2D 3D TSV
23938052 15 Synthesis, enzyme kinetics and computational evaluation of N-(▀-D-glucopyranosyl) oxadiazolecarboxamides as glycogen phosphorylase inhibitors.EBI Bioorg Med Chem 21: 5738-47 (2013) University of Debrecen 2D 3D TSV
23937569 22 Selectivity data: assessment, predictions, concordance, and implications.EBI J Med Chem 56: 6991-7002 (2013) Lilly Research Laboratories 2D 3D TSV
23935105 20 Specialization among iron-sulfur cluster helicases to resolve G-quadruplex DNA structures that threaten genomic stability.BDB J Biol Chem 288: 28217-29 (2013) National Institutes of Health, National Institutes of Health Biomedical Research Center 2D 3D TSV
23935099 16 Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket.BDB J Biol Chem 288: 28195-206 (2013) GlaxoSmithKline 2D 3D TSV
23933045 20 Synthesis, biological evaluation and molecular docking studies of pyrazole derivatives coupling with a thiourea moiety as novel CDKs inhibitors.EBI Eur J Med Chem 68: 1-9 (2013) Nanjing University 2D 3D TSV
23932792 74 Octahydropyrrolo[3,4-c]pyrrole negative allosteric modulators of mGlu1.EBI Bioorg Med Chem Lett 23: 5091-6 (2013) Vanderbilt University Medical Center 2D 3D TSV
23932790 73 A hit to lead discovery of novel N-methylated imidazolo-, pyrrolo-, and pyrazolo-pyrimidines as potent and selective mTOR inhibitors.EBI Bioorg Med Chem Lett 23: 5097-104 (2013) Genentech 2D 3D TSV
23932451 34 Synthesis and biological evaluation of berberine-thiophenyl hybrids as multi-functional agents: Inhibition of acetylcholinesterase, butyrylcholinesterase, and A▀ aggregation and antioxidant activity.EBI Bioorg Med Chem 21: 5830-40 (2013) Sun Yat-sen University 2D 3D TSV
23932448 3 Chrysophaentins are competitive inhibitors of FtsZ and inhibit Z-ring formation in live bacteria.EBI Bioorg Med Chem 21: 5673-8 (2013) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
23928358 4 VKORC1L1, an enzyme rescuing the vitamin K 2,3-epoxide reductase activity in some extrahepatic tissues during anticoagulation therapy.BDB J Biol Chem 288: 28733-42 (2013) Institut National de Recherche Agronomique (INRA)-Vetagro Sup, Veterinary School of Lyon 2D 3D TSV
23928071 3 Design, stereoselective synthesis, and biological evaluation of novel tri-cyclic compounds as inhibitor of apoptosis proteins (IAP) antagonists.EBI Bioorg Med Chem 21: 5725-37 (2013) Takeda Pharmaceutical Company Limited 2D 3D TSV
23927974 12 Potential neuroprotective flavonoid-based inhibitors of CDK5/p25 from Rhus parviflora.EBI Bioorg Med Chem Lett 23: 5150-4 (2013) Kyung Hee University 2D 3D TSV
23927973 41 Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.EBI Bioorg Med Chem Lett 23: 5239-43 (2013) Bristol-Myers Squibb Research& Development 2D 3D TSV
23927550 9 Screen of pseudopeptidic inhibitors of human sirtuins 1-3: two lead compounds with antiproliferative effects in cancer cells.EBI J Med Chem 56: 6681-95 (2013) University of Eastern Finland 2D 3D TSV
23920481 25 Synthesis and evaluation of heteroaryl substituted diazaspirocycles as scaffolds to probe the ATP-binding site of protein kinases.EBI Bioorg Med Chem 21: 5707-24 (2013) The Institute of Cancer Research 2D 3D TSV
23920439 21 Discovery of highly potent and selective D4 ligands by interactive SAR study.EBI Bioorg Med Chem Lett 23: 5077-81 (2013) German University in Cairo 2D 3D TSV
23920437 9 Identification of quinazolinyloxy biaryl urea as a new class of SUMO activating enzyme 1 inhibitors.EBI Bioorg Med Chem Lett 23: 5145-9 (2013) RIKEN 2D 3D TSV
23919824 18 Ligand-protein interactions of selective casein kinase 1d inhibitors.EBI J Med Chem 56: 6819-28 (2013) Pfizer Inc. 2D 3D TSV
23919758 26 Discovery and biophysical characterization of 2-amino-oxadiazoles as novel antagonists of PqsR, an important regulator of Pseudomonas aeruginosa virulence.EBI J Med Chem 56: 6761-74 (2013) Helmholtz-Institute for Pharmaceutical Research Saarland 2D 3D TSV
23919353 8 Polypharmacology - foe or friend?EBI J Med Chem 56: 8955-71 (2013) F. Hoffmann-La Roche Ltd. 2D 3D TSV
23919303 3 Novel 1H-pyrrolo[2,3-b]pyridine derivative nortopsentin analogues: synthesis and antitumor activity in peritoneal mesothelioma experimental models.EBI J Med Chem 56: 7060-72 (2013) Universit£ degli Studi di Palermo 2D 3D TSV
23918626 22 Development of fragment-based n-FABS NMR screening applied to the membrane enzyme FAAH.BDB Chembiochem 14: 1611-9 (2013) Fondazione Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy). 2D 3D TSV
23917087 32 Inhibitors of switch kinase 'spleen tyrosine kinase' in inflammation and immune-mediated disorders: a review.EBI Eur J Med Chem 67: 434-46 (2013) Punjabi University 2D 3D TSV
23916594 92 Synthesis and structure-activity relationships of novel indazolyl glucocorticoid receptor partial agonists.EBI Bioorg Med Chem Lett 23: 5448-51 (2013) Bristol-Myers Squibb Company 2D 3D TSV
23916259 6 Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.EBI Bioorg Med Chem Lett 23: 5217-22 (2013) ActivX Biosciences, Inc. 2D 3D TSV
23916258 54 Discovery and SAR of a novel series of GIRK1/2 and GIRK1/4 activators.EBI Bioorg Med Chem Lett 23: 5195-8 (2013) Vanderbilt University 2D 3D TSV
23916257 54 Discovery and SAR of 5-aminooctahydrocyclopentapyrrole-3a-carboxamides as potent CCR2 antagonists.EBI Bioorg Med Chem Lett 24: 1239-42 (2014) Janssen Research and Development, L.L.C. 2D 3D TSV
23916254 44 The discovery of inhibitors of Fas-mediated cell death pathway using the combined computational method.EBI Bioorg Med Chem Lett 23: 5155-64 (2013) Chungnam National University 2D 3D TSV
23916253 22 Novel selective inhibitors of aminopeptidases that generate antigenic peptides.EBI Bioorg Med Chem Lett 23: 4832-6 (2013) University of California San Diego 2D 3D TSV
23916149 14 Investigation of acyclic uridine amide and 5'-amido nucleoside analogues as potential inhibitors of the Plasmodium falciparum dUTPase.EBI Bioorg Med Chem 21: 5876-85 (2013) University of Dundee 2D 3D TSV
23914927 24 Inhibition of mammalian carbonic anhydrases I-XIV with grayanotoxin III: solution and in silico studies.BDB J Enzyme Inhib Med Chem 29: 469-75 (2014) University of Calgary 2D 3D TSV
23911092 9 PIF-pocket as a target for C. albicans Pkh selective inhibitors.BDB ACS Chem Biol 8: 2283-92 (2013) Universit£tsklinikum Frankfurt 2D 3D TSV
23909910 177 Structure-activity relationships and pharmacophore model of a noncompetitive pyrazoline containing class of GluN2C/GluN2D selective antagonists.EBI J Med Chem 56: 6434-56 (2013) Emory University 2D 3D TSV
23906422 1 Identification of novel HDAC inhibitors through cell based screening and their evaluation as potential anticancer agents.EBI Bioorg Med Chem Lett 23: 4790-3 (2013) Translational Drug Development, Inc 2D 3D TSV
23906342 14 Discovery of a selective kinase inhibitor (TAK-632) targeting pan-RAF inhibition: design, synthesis, and biological evaluation of C-7-substituted 1,3-benzothiazole derivatives.EBI J Med Chem 56: 6478-94 (2013) Takeda Pharmaceutical Company Limited 2D 3D TSV
23905680 8 Quinazolin-4-one derivatives as selective histone deacetylase-6 inhibitors for the treatment of Alzheimer's disease.EBI J Med Chem 56: 6775-91 (2013) National Taiwan University 2D 3D TSV
23902803 9 Peripherally restricted CB1 receptor blockers.EBI Bioorg Med Chem Lett 23: 4751-60 (2013) Jenrin Discovery 2D 3D TSV
23900004 5 Quinazoline-based multi-tyrosine kinase inhibitors: synthesis, modeling, antitumor and antiangiogenic properties.EBI Eur J Med Chem 67: 373-83 (2013) University of Padova 2D 3D TSV
23899692 10 Discovery of a potent and selective DDR1 receptor tyrosine kinase inhibitor.BDB ACS Chem Biol 8: 2145-50 (2013) Massachusetts General Hospital and Harvard Medical School 2D 3D TSV
23899657 3 Binding of (5S)-penicilloic acid to penicillin binding protein 3.BDB ACS Chem Biol 8: 2112-6 (2013) University of Oxford 2D 3D TSV
23899618 9 Antithrombotic effects of LB30870, a potent, orally active, selective and direct thrombin inhibitor, and pharmacokinetics of its prodrug.EBI Bioorg Med Chem Lett 23: 4779-84 (2013) LG Life Sciences 2D 3D TSV
23899615 18 Truncation of the peptide sequence in bifunctional ligands with mu and delta opioid receptor agonist and neurokinin 1 receptor antagonist activities.EBI Bioorg Med Chem Lett 23: 4975-8 (2013) University of Arizona 2D 3D TSV
23899614 60 Identification of 2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-derived ureas as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).EBI Bioorg Med Chem Lett 23: 4875-85 (2013) Genentech Inc 2D 3D TSV
23899349 69 Lead optimization of ethyl 6-aminonicotinate acyl sulfonamides as antagonists of the P2Y12 receptor. separation of the antithrombotic effect and bleeding for candidate drug AZD1283.EBI J Med Chem 56: 7015-24 (2013) AstraZeneca 2D 3D TSV
23899291 3 Exquisite selectivity for human toll-like receptor 8 in substituted furo[2,3-c]quinolines.EBI J Med Chem 56: 6871-85 (2013) University of Kansas 2D 3D TSV
23899248 1 Resistance by allostery: a novel perspective for eg5-targeted drug design.EBI J Med Chem 56: 6314-6 (2013) Korea Institute of Science and Technology 2D 3D TSV
23897821 60 Histone deacetylase (HDAC) inhibitor kinetic rate constants correlate with cellular histone acetylation but not transcription and cell viability.BDB J Biol Chem 288: 26926-43 (2013) Genentech, Inc. 2D 3D TSV
23896611 16 Tetrazole-based deoxyamodiaquines: synthesis, ADME/PK profiling and pharmacological evaluation as potential antimalarial agents.EBI Bioorg Med Chem 21: 4904-13 (2013) University of Cape Town 2D 3D TSV
23895630 14 Biochemical characterization of the chloroplastic ▀-carbonic anhydrase from Flaveria bidentis (L.) "Kuntze".BDB J Enzyme Inhib Med Chem 29: 500-4 (2014) Istituto di Biostrutture e Bioimmagini-CNR 2D 3D TSV
23895568 4 Direct and nitroxyl (HNO)-mediated reactions of acyloxy nitroso compounds with the thiol-containing proteins glyceraldehyde 3-phosphate dehydrogenase and alkyl hydroperoxide reductase subunit C.EBI J Med Chem 56: 6583-92 (2013) Wake Forest University 2D 3D TSV
23895492 49 Toward drugs for protease-activated receptor 2 (PAR2).EBI J Med Chem 56: 7477-97 (2013) The University of Queensland 2D 3D TSV
23892098 29 The adenosine A(2A) antagonistic properties of selected C8-substituted xanthines.BDB Bioorg Chem 49: 49-58 (2013) North-West University, Private Bag X6001, Potchefstroom 2520, South Africa 2D 3D TSV
23891231 42 Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors.EBI Bioorg Med Chem 21: 4928-37 (2013) Ege University 2D 3D TSV
23891187 84 Selective orexin receptor antagonists.EBI Bioorg Med Chem Lett 23: 4761-9 (2013) Janssen Research& Development 2D 3D TSV
23891165 12 1-Hydroxypyrazole as a bioisostere of the acetic acid moiety in a series of aldose reductase inhibitors.EBI Bioorg Med Chem 21: 4951-7 (2013) Aristotle University of Thessaloniki 2D 3D TSV
23891163 30 Macamides and their synthetic analogs: evaluation of in vitro FAAH inhibition.EBI Bioorg Med Chem 21: 5188-97 (2013) MCPHS University 2D 3D TSV
23890837 16 Design and synthesis of bicyclic heterocycles as potent┐-secretase modulators.EBI Bioorg Med Chem Lett 23: 4794-800 (2013) Janssen Research& Development 2D 3D TSV
23888932 104 6-Bromo-8-(4-[(3)H]methoxybenzamido)-4-oxo-4H-chromene-2-carboxylic Acid: a powerful tool for studying orphan G protein-coupled receptor GPR35.EBI J Med Chem 56: 7084-99 (2013) University of Bonn 2D 3D TSV
23886812 16 Cyclopropane-based conformational restriction of GABA by a stereochemical diversity-oriented strategy: identification of an efficient lead for potent inhibitors of GABA transports.EBI Bioorg Med Chem 21: 4938-50 (2013) Hokkaido University 2D 3D TSV
23886811 4 Solid phase synthesis of Smac/DIABLO-derived peptides using a 'Safety-Catch' resin: identification of potent XIAP BIR3 antagonists.EBI Bioorg Med Chem 21: 5004-11 (2013) Queen's University of Belfast 2D 3D TSV
23886807 39 Synthesis and optimization of novel (3S,5R)-5-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)piperidine-3-carboxamides as orally active renin inhibitors.EBI Bioorg Med Chem 21: 5907-22 (2013) Daiichi Sankyo Co., Ltd 2D 3D TSV
23886687 9 QM-polarized ligand docking accurately predicts the trend in binding affinity of a series of arylmethylene quinuclidine-like derivatives at thea4▀2 anda3▀4 nicotinic acetylcholine receptors (nAChRs).EBI Bioorg Med Chem Lett 23: 4842-7 (2013) Targacept, Inc 2D 3D TSV
23886684 36 Synthesis of quaternarya-amino acid-based arginase inhibitors via the Ugi reaction.EBI Bioorg Med Chem Lett 23: 4837-41 (2013) Institutes for Pharmaceutical Discovery 2D 3D TSV
23886683 54 The discovery of potent blockers of the canonical transient receptor channels, TRPC3 and TRPC6, based on an anilino-thiazole pharmacophore.EBI Bioorg Med Chem Lett 23: 4979-84 (2013) GlaxoSmithKline 2D 3D TSV
23886302 74 Structure-activity relationships of benzimidazole-based glutaminyl cyclase inhibitors featuring a heteroaryl scaffold.EBI J Med Chem 56: 6613-25 (2013) Probiodrug AG 2D 3D TSV
23884422 10 Roles of phosphate recognition in inositol 1,3,4,5,6-pentakisphosphate 2-kinase (IPK1) substrate binding and activation.BDB J Biol Chem 288: 26908-13 (2013) McGill University 2D 3D TSV
23880539 28 Discovery of 7-azaindole based anaplastic lymphoma kinase (ALK) inhibitors: wild type and mutant (L1196M) active compounds with unique binding mode.EBI Bioorg Med Chem Lett 23: 4911-8 (2013) Aurigene Discovery Technologies Ltd 2D 3D TSV
23880081 8 Rapid modifications of N-substitution in iminosugars: development of new▀-glucocerebrosidase inhibitors and pharmacological chaperones for Gaucher disease.EBI Bioorg Med Chem 21: 5021-8 (2013) Genomics Research Center 2D 3D TSV
23879463 36 A medicinal chemistry perspective for targeting histone H3 lysine-79 methyltransferase DOT1L.EBI J Med Chem 56: 8972-83 (2013) Baylor College of Medicine 2D 3D TSV
23879431 11 Structure-efficiency relationship of [1,2,4]triazol-3-ylamines as novel nicotinamide isosteres that inhibit tankyrases.EBI J Med Chem 56: 7049-59 (2013) Novartis Institutes for Biomedical Research Incorporated 2D 3D TSV
23879381 17 Structure-guided design of novel thiazolidine inhibitors of O-acetyl serine sulfhydrylase from Mycobacterium tuberculosis.EBI J Med Chem 56: 6457-66 (2013) Karolinska Institutet 2D 3D TSV
23879299 12 Synthesis and evaluation of novel radioligands for positron emission tomography imaging of the orexin-2 receptor.EBI J Med Chem 56: 6371-85 (2013) Eisai Co. , Ltd. 2D 3D TSV
23876987 4 Synthesis and SAR of 4-aminocyclopentapyrrolidines as orally active N-type calcium channel inhibitors for inflammatory and neuropathic pain.EBI Bioorg Med Chem Lett 23: 4857-61 (2013) Neuroscience Research, AbbVie, 1 N Waukegan Road, North Chicago, IL 60064, United States. xenia.b.searle@abbvie.com 2D 3D TSV
23876004 3 Absolute configuration of acremoxanthone C, a potent calmodulin inhibitor from Purpureocillium lilacinum.EBI J Nat Prod 76: 1454-60 (2013) Universidad Nacional Aut£noma de M£xico 2D 3D TSV
23875972 3 Mitotic kinesin Eg5 overcomes inhibition to the phase I/II clinical candidate SB743921 by an allosteric resistance mechanism.EBI J Med Chem 56: 6317-29 (2013) The Beatson Institute for Cancer Research 2D 3D TSV
23871912 36 A structure-activity relationship study of 1,2,4-triazolo[1,5-a][1,3,5]triazin-5,7-dione and its 5-thioxo analogues on anti-thymidine phosphorylase and associated anti-angiogenic activities.EBI Eur J Med Chem 67: 325-34 (2013) National University of Singapore 2D 3D TSV
23871907 64 Discovery and biological evaluation of novel 1,4-benzoquinone and related resorcinol derivatives that inhibit 5-lipoxygenase.EBI Eur J Med Chem 67: 269-79 (2013) University of Salerno 2D 3D TSV
23871902 42 An expedient, ionic liquid mediated multi-component synthesis of novel piperidone grafted cholinesterase enzymes inhibitors and their molecular modeling study.EBI Eur J Med Chem 67: 221-9 (2013) Universiti Sains Malaysia 2D 3D TSV
23871442 88 Defining the key pharmacophore elements of PF-04620110: discovery of a potent, orally-active, neutral DGAT-1 inhibitor.EBI Bioorg Med Chem 21: 5081-97 (2013) Pfizer Inc. 2D 3D TSV
23870430 55 2-Amino-[1,2,4]triazolo[1,5-a]pyridines as JAK2 inhibitors.EBI Bioorg Med Chem Lett 23: 5014-21 (2013) Genentech 2D 3D TSV
23869564 9 Biological and structural evaluation of 10R- and 10S-methylthio-DDACTHF reveals a new role for sulfur in inhibition of glycinamide ribonucleotide transformylase.BDB Biochemistry 52: 5133-44 (2013) The Scripps Research Institute 2D 3D TSV
23869452 67 Cushing's syndrome: development of highly potent and selective CYP11B1 inhibitors of the (pyridylmethyl)pyridine type.EBI J Med Chem 56: 6022-32 (2013) Saarland University 2D 3D TSV
23867602 122 Lead identification of novel and selective TYK2 inhibitors.EBI Eur J Med Chem 67: 175-87 (2013) Genentech 2D 3D TSV
23867390 37 Evaluation of novel aryloxyalkyl derivatives of imidazole and 1,2,4-triazole as heme oxygenase-1 (HO-1) inhibitors and their antitumor properties.EBI Bioorg Med Chem 21: 5145-53 (2013) University of Catania 2D 3D TSV
23867388 1 Catalytic asymmetric total synthesis of (S)-(-)-zearalenone, a novel lipoxygenase inhibitor.EBI Bioorg Med Chem 21: 5271-4 (2013) University of Groningen 2D 3D TSV
23867386 31 In search of potent and selective inhibitors of neuronal nitric oxide synthase with more simple structures.EBI Bioorg Med Chem 21: 5323-31 (2013) Northwestern University 2D 3D TSV
23867168 1 Structure activity relationship study of benzo[d]thiazol-2(3H)one baseds receptor ligands.EBI Bioorg Med Chem Lett 23: 5011-3 (2013) University of Mississippi 2D 3D TSV
23867164 27 Identification of GNE-293, a potent and selective PI3Kd inhibitor: navigating in vitro genotoxicity while improving potency and selectivity.EBI Bioorg Med Chem Lett 23: 4953-9 (2013) Genentech 2D 3D TSV
23865683 7 Total synthesis and full histone deacetylase inhibitory profiling of Azumamides A-E as well as▀▓- epi-Azumamide E and▀│-epi-Azumamide E.EBI J Med Chem 56: 6512-20 (2013) Technical University of Denmark 2D 3D TSV
23864660 3 Crystal structure of 3-hydroxybenzoate 6-hydroxylase uncovers lipid-assisted flavoprotein strategy for regioselective aromatic hydroxylation.BDB J Biol Chem 288: 26235-45 (2013) Wageningen University 2D 3D TSV
23860593 17 Novel▀-dicarbonyl derivatives as inhibitors of aminopeptidase N (APN).EBI Bioorg Med Chem Lett 23: 4948-52 (2013) Shandong University 2D 3D TSV
23859780 5 Cembrane diterpenoids from the soft coral Sarcophyton trocheliophorum Marenzeller as a new class of PTP1B inhibitors.EBI Bioorg Med Chem 21: 5076-80 (2013) Chinese Academy of Sciences 2D 3D TSV
23859149 76 Highly potent and selective nonsteroidal dual inhibitors of CYP17/CYP11B2 for the treatment of prostate cancer to reduce risks of cardiovascular diseases.EBI J Med Chem 56: 6101-7 (2013) Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) 2D 3D TSV
23859118 60 Structure-based discovery of novel amide-containing nicotinamide phosphoribosyltransferase (nampt) inhibitors.EBI J Med Chem 56: 6413-33 (2013) Forma Therapeutics, Inc. 2D 3D TSV
23859074 189 Toxoflavins and deazaflavins as the first reported selective small molecule inhibitors of tyrosyl-DNA phosphodiesterase II.EBI J Med Chem 56: 6352-70 (2013) University of Manchester 2D 3D TSV
23856050 28 Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: prime side chromane-containing inhibitors.EBI Bioorg Med Chem Lett 23: 4674-9 (2013) Elan Pharmaceuticals 2D 3D TSV
23856049 50 Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: optimization of kinase selectivity and pharmacokinetics.EBI Bioorg Med Chem Lett 23: 4511-6 (2013) OSI Pharmaceuticals LLC 2D 3D TSV
23856046 41 Discovery, synthesis, and structure-activity relationships of 2-aminoquinazoline derivatives as a novel class of metabotropic glutamate receptor 5 negative allosteric modulators.EBI Bioorg Med Chem Lett 23: 4493-500 (2013) Merz Pharmaceuticals GmbH 2D 3D TSV
23855836 147 1-substituted (Dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chromen-4-ones endowed with dual DNA-PK/PI3-K inhibitory activity.EBI J Med Chem 56: 6386-401 (2013) Newcastle University 2D 3D TSV
23853092 3 Histone deacetylase 7 promotes Toll-like receptor 4-dependent proinflammatory gene expression in macrophages.BDB J Biol Chem 288: 25362-74 (2013) University of Queensland 2D 3D TSV
23851114 73 Synthesis and biological evaluation of flavones and benzoflavones as inhibitors of BCRP/ABCG2.EBI Eur J Med Chem 67: 115-26 (2013) University of Bonn 2D 3D TSV
23850568 5 The effect of novel [3-fluoro-(2-phosphonoethoxy)propyl]purines on the inhibition of Plasmodium falciparum, Plasmodium vivax and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases.EBI Eur J Med Chem 67: 81-9 (2013) Academy of Sciences of the Czech Republic 2D 3D TSV
23850203 11 Molecular design, synthesis and biological evaluation of 1,4-dihydro-4-oxoquinoline ribonucleosides as TcGAPDH inhibitors with trypanocidal activity.EBI Bioorg Med Chem Lett 23: 4597-601 (2013) da Universidade de S£o Paulo 2D 3D TSV
23850199 89 Discovery of novel benzo[b][1,4]oxazin-3(4H)-ones as poly(ADP-ribose)polymerase inhibitors.EBI Bioorg Med Chem Lett 23: 4501-5 (2013) Takeda California 2D 3D TSV
23850198 100 Discovery and optimization of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1.EBI Bioorg Med Chem Lett 23: 4517-22 (2013) OSI Pharmaceuticals LLC 2D 3D TSV
23849879 23 1,2,4-Triazole derivatives as transient inactivators of kallikreins involved in skin diseases.EBI Bioorg Med Chem Lett 23: 4547-51 (2013) Universit£ Pierre et Marie Curie-Sorbonne Universit£s (UPMC) 2D 3D TSV
23849206 22 One-pot tandem Hurtley-retro-Claisen-cyclisation reactions in the synthesis of 3-substituted analogues of 5-aminoisoquinolin-1-one (5-AIQ), a water-soluble inhibitor of PARPs.EBI Bioorg Med Chem 21: 5218-27 (2013) University of Bath 2D 3D TSV
23848232 24 Design and synthesis of imidazolidine-2,4-dione derivatives as selective inhibitors by targeting protein tyrosine phosphatase-1B over T-cell protein tyrosine phosphatase.BDB Chem Biol Drug Des 82: 595-602 (2013) Tianjin Medical University 2D 3D TSV
23845281 25 Discovery of 2-methyl-1-{1-[(5-methyl-1H-indol-2-yl)carbonyl]piperidin-4-yl}propan-2-ol: a novel, potent and selective type 5 17▀-hydroxysteroid dehydrogenase inhibitor.EBI Bioorg Med Chem 21: 5261-70 (2013) Astellas Pharma Inc. 2D 3D TSV
23845220 53 Nonbenzamidine acylsulfonamide tissue factor-factor VIIa inhibitors.EBI Bioorg Med Chem Lett 23: 5244-8 (2013) Bristol-Myers Squibb R&D 2D 3D TSV
23845219 142 Structure guided design of a series of sphingosine kinase (SphK) inhibitors.EBI Bioorg Med Chem Lett 23: 4608-16 (2013) Amgen Inc. 2D 3D TSV
23845218 86 1,1-Dioxo-5,6-dihydro-[4,1,2]oxathiazines, a novel class of 11▀-HSD1 inhibitors for the treatment of diabetes.EBI Bioorg Med Chem Lett 23: 4685-91 (2013) Sanofi Deutschland GmbH 2D 3D TSV
23845217 30 Synthesis of novel diarylamino-1,3,5-triazine derivatives as FAK inhibitors with anti-angiogenic activity.EBI Bioorg Med Chem Lett 23: 4552-6 (2013) Universit£ Paris Descartes 2D 3D TSV
23844670 52 Optimization of N-benzoylindazole derivatives as inhibitors of human neutrophil elastase.EBI J Med Chem 56: 6259-72 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
23844574 71 Identification of NVP-TNKS656: the use of structure-efficiency relationships to generate a highly potent, selective, and orally active tankyrase inhibitor.EBI J Med Chem 56: 6495-511 (2013) Novartis Institutes for Biomedical Research 2D 3D TSV
23839987 6 Laccaic acid A is a direct, DNA-competitive inhibitor of DNA methyltransferase 1.BDB J Biol Chem 288: 23858-67 (2013) University of Iowa 2D 3D TSV
23839942 19 Heterodimerization with Its splice variant blocks the ghrelin receptor 1a in a non-signaling conformation: a study with a purified heterodimer assembled into lipid discs.BDB J Biol Chem 288: 24656-65 (2013) UniversitÚ Montpellier 1 2D 3D TSV
23838381 38 Discovery and optimization of novel 4-phenoxy-6,7-disubstituted quinolines possessing semicarbazones as c-Met kinase inhibitors.EBI Bioorg Med Chem 21: 5246-60 (2013) Shenyang Pharmaceutical University 2D 3D TSV
23838260 86 Discovery of 'molecular switches' within a GIRK activator scaffold that afford selective GIRK inhibitors.EBI Bioorg Med Chem Lett 23: 4562-6 (2013) Northwest Agriculture& Forestry University 2D 3D TSV
23837797 2 LDK378: a promising anaplastic lymphoma kinase (ALK) inhibitor.EBI J Med Chem 56: 5673-4 (2014) University of Michigan Comprehensive Cancer Center 2D 3D TSV
23837744 50 Atropisomeric 4-phenyl-4H-1,2,4-triazoles as selective glycine transporter 1 inhibitors.EBI J Med Chem 56: 5744-56 (2014) Astellas Pharma Inc. 2D 3D TSV
23835447 32 Imidazolium-based warheads strongly influence activity of water-soluble peptidic transglutaminase inhibitors.EBI Eur J Med Chem 66: 526-30 (2013) Aston University 2D 3D TSV
23834438 10 Design, synthesis, and optimization of novel epoxide incorporating peptidomimetics as selective calpain inhibitors.EBI J Med Chem 56: 6054-68 (2013) University of Illinois College of Pharmacy 2D 3D TSV
23831808 42 Identification of novel chromone based sulfonamides as highly potent and selective inhibitors of alkaline phosphatases.EBI Eur J Med Chem 66: 438-49 (2013) Forman Christian College (A Chartered University) 2D 3D TSV
23831135 29 Pyrimidone-based series of glucokinase activators with alternative donor-acceptor motif.EBI Bioorg Med Chem Lett 23: 4571-8 (2013) Pfizer Inc. 2D 3D TSV
23831134 72 Discovery and optimisation of 1-hydroxyimino-3,3-diphenylpropanes, a new class of orally active GPBAR1 (TGR5) agonists.EBI Bioorg Med Chem Lett 23: 4627-32 (2013) F. Hoffmann-La Roche AG 2D 3D TSV
23830695 1 Structure-activity relationship studies of Niemann-Pick type C1-like 1 (NPC1L1) ligands identified by screening assay monitoring pharmacological chaperone effect.EBI Bioorg Med Chem 21: 5297-309 (2013) The University of Tokyo 2D 3D TSV
23830504 1 Synthesis and in vitro cellular uptake of 11C-labeled 5-aminolevulinic acid derivative to estimate the induced cellular accumulation of protoporphyrin IX.EBI Bioorg Med Chem Lett 23: 4567-70 (2013) National Institute of Radiological Sciences 2D 3D TSV
23829549 145 The discovery of PLK4 inhibitors: (E)-3-((1H-Indazol-6-yl)methylene)indolin-2-ones as novel antiproliferative agents.EBI J Med Chem 56: 6069-87 (2013) EntreMed Inc. 2D 3D TSV
23829517 30 A novel series of highly potent 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitors.EBI J Med Chem 56: 6234-47 (2013) Palack£ University 2D 3D TSV
23829483 32 Discovery of potent, isoform-selective inhibitors of histone deacetylase containing chiral heterocyclic capping groups and a N-(2-aminophenyl)benzamide binding unit.EBI J Med Chem 56: 6156-74 (2013) University College London 2D 3D TSV
23828198 7 Key mutations alter the cytochrome P450 BM3 conformational landscape and remove inherent substrate bias.BDB J Biol Chem 288: 25387-99 (2013) University of Manchester 2D 3D TSV
23824585 8 DXP synthase-catalyzed C-N bond formation: nitroso substrate specificity studies guide selective inhibitor design.BDB Chembiochem 14: 1309-15 (2013) The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA 2D 3D TSV
23822179 17 Synthesis and structure-activity relationship studies of O-biphenyl-3-yl carbamates as peripherally restricted fatty acid amide hydrolase inhibitors.EBI J Med Chem 56: 5917-30 (2014) Fondazione Istituto Italiano di Tecnologia 2D 3D TSV
23820386 32 Structure guided optimization of a fragment hit to imidazopyridine inhibitors of PI3K.EBI Bioorg Med Chem Lett 23: 4652-6 (2013) Novartis Institutes for Biomedical Research 2D 3D TSV
23819803 32 DXR inhibition by potent mono- and disubstituted fosmidomycin analogues.EBI J Med Chem 56: 6190-9 (2013) Uppsala University 2D 3D TSV
23816046 8 Synthesis and in vivo evaluation of [(18)F]2-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione ([(18)F]FECUMI-101) as an imaging probe for 5-HT1A receptor agonist in nonhuman primates.EBI Bioorg Med Chem 21: 5598-604 (2013) Columbia University Medical Center 2D 3D TSV
23816044 24 Autotaxin inhibition: development and application of computational tools to identify site-selective lead compounds.EBI Bioorg Med Chem 21: 5548-60 (2013) The University of Memphis 2D 3D TSV
23816043 2 Antiproliferative activity on human prostate carcinoma cell lines of new peptidomimetics containing the spiroazepinoindolinone scaffold.EBI Bioorg Med Chem 21: 5470-9 (2013) Universit£ degli Studi di Milano 2D 3D TSV
23816042 16 Synthetic studies of centromere-associated protein-E (CENP-E) inhibitors: 1.Exploration of fused bicyclic core scaffolds using electrostatic potential map.EBI Bioorg Med Chem 21: 5488-502 (2013) Takeda Pharmaceutical Company Limited 2D 3D TSV
23815186 1 4-Amino-7-chloroquinolines: probing ligand efficiency provides botulinum neurotoxin serotype A light chain inhibitors with significant antiprotozoal activity.EBI J Med Chem 56: 5860-71 (2014) University of Belgrade 2D 3D TSV
23815100 14 3-substituted indole inhibitors against Francisella tularensis FabI identified by structure-based virtual screening.EBI J Med Chem 56: 5275-87 (2014) Naval Research Laboratories 2D 3D TSV
23811091 20 Quercitylcinnamates, a new series of antidiabetic bioconjugates possessinga-glucosidase inhibition and antioxidant.EBI Eur J Med Chem 66: 296-304 (2013) Chulalongkorn University 2D 3D TSV
23811088 26 Modulation ofav▀3- anda5▀1-integrin-mediated adhesion by dehydro-▀-amino acids containing peptidomimetics.EBI Eur J Med Chem 66: 258-68 (2013) University of Bologna 2D 3D TSV
23810677 3 Solid-phase synthesis of 5'-triphosphate 2'-5'-oligoadenylates analogs with 3'-O-biolabile groups and their evaluation as RNase L activators and antiviral drugs.EBI Bioorg Med Chem 21: 5461-9 (2013) Universit£ Montpellier 2 2D 3D TSV
23810675 42 Synthesis, evaluation and molecular dynamics study of some new 4-aminopyridine semicarbazones as an antiamnesic and cognition enhancing agents.EBI Bioorg Med Chem 21: 5451-60 (2013) Banaras Hindu University 2D 3D TSV
23810674 13 Investigations on synthesis and structure elucidation of novel [1,2,4]triazolo[1,2-a]pyridazine-1-thiones and their inhibitory activity against inducible nitric oxide synthase.EBI Bioorg Med Chem 21: 5518-31 (2013) Ernst Moritz Arndt University Greifswald 2D 3D TSV
23810673 107 Synthesis anda-glucosidase inhibitory activity evaluation of N-substituted aminomethyl-▀-d-glucopyranosides.EBI Bioorg Med Chem 21: 5442-50 (2013) Xi'an Jiaotong University 2D 3D TSV
23810672 3 A 2,6,9-hetero-trisubstituted purine inhibitor exhibits potent biological effects against multiple myeloma cells.EBI Bioorg Med Chem 21: 5618-28 (2013) University of Toronto 2D 3D TSV
23810497 51 Hydantoin based inhibitors of MMP13--discovery of AZD6605.EBI Bioorg Med Chem Lett 23: 4705-12 (2013) AstraZeneca 2D 3D TSV
23810496 31 Synthesis and biological evaluation of aminobenzimidazole derivatives with a phenylcyclohexyl acetic acid group as anti-obesity and anti-diabetic agents.EBI Bioorg Med Chem Lett 23: 4713-8 (2013) Korea Research Institute of Chemical Technology 2D 3D TSV
23810424 23 Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase.EBI Bioorg Med Chem 21: 5629-46 (2013) Industrial Research Ltd 2D 3D TSV
23809172 9 C-Glucosides with heteroaryl thiophene as novel sodium-dependent glucose cotransporter 2 inhibitors.EBI Bioorg Med Chem 21: 5561-72 (2013) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
23808805 42 Carbonic anhydrase inhibitors. Phenols incorporating 2- or 3-pyridyl-ethenylcarbonyl and tertiary amine moieties strongly inhibit Saccharomyces cerevisiae ▀-carbonic anhydrase.BDB J Enzyme Inhib Med Chem 29: 495-9 (2014) Ataturk University 2D 3D TSV
23808545 12 Discovery of RG7388, a potent and selective p53-MDM2 inhibitor in clinical development.EBI J Med Chem 56: 5979-83 (2014) Roche Research Center 2D 3D TSV
23808489 11 2-[(3aR,4R,5S,7aS)-5-{(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyethoxy}-4-(2-methylphenyl)octahydro-2H-isoindol-2-yl]-1,3-oxazol-4(5H)-one: a potent human NK1 receptor antagonist with multiple clearance pathways.EBI J Med Chem 56: 5940-8 (2014) Merck Research Laboratories 2D 3D TSV
23808327 29 Optimization of ligand and lipophilic efficiency to identify an in vivo active furano-pyrimidine Aurora kinase inhibitor.EBI J Med Chem 56: 5247-60 (2014) National Health Research Institutes 2D 3D TSV
23806555 8 Development of stapled short helical peptides capable of inhibiting vitamin D receptor (VDR)-coactivator interactions.EBI Bioorg Med Chem Lett 23: 4292-6 (2013) National Institute of Health Sciences 2D 3D TSV
23806553 7 Discovery of triazines as potent, selective and orally active PDE4 inhibitors.EBI Bioorg Med Chem Lett 23: 4308-14 (2013) BioCrea GmbH 2D 3D TSV
23803221 15 3'-Oxo-, amino-, thio- and sulfone-acetic acid modified thymidines: effect of increased acidity on ribonuclease A inhibition.EBI Bioorg Med Chem 21: 4634-45 (2013) Institute of Technology Kharagpur 2D 3D TSV
23802889 50 Heteroaromatic and aniline derivatives of piperidines as potent ligands for vesicular acetylcholine transporter.EBI J Med Chem 56: 6216-33 (2013) Washington University School of Medicine 2D 3D TSV
23800686 45 Mono-carbonyl curcumin analogues as 11▀-hydroxysteroid dehydrogenase 1 inhibitors.EBI Bioorg Med Chem Lett 23: 4362-6 (2013) Wenzhou Medical College 2D 3D TSV
23799643 5 Design, synthesis, and evaluation of multitarget-directed resveratrol derivatives for the treatment of Alzheimer's disease.EBI J Med Chem 56: 5843-59 (2014) Sun Yat-sen University 2D 3D TSV
23796453 21 Pin1 inhibitors: Pitfalls, progress and cellular pharmacology.EBI Bioorg Med Chem Lett 23: 4283-91 (2013) Horizon Discovery 2D 3D TSV
23795939 5 11▀-HSD1 inhibitors from Walsura cochinchinensis.EBI J Nat Prod 76: 1319-27 (2013) Chinese Academy of Sciences 2D 3D TSV
23795713 2 Thiazolylaminomannosides as potent antiadhesives of type 1 piliated Escherichia coli isolated from Crohn's disease patients.EBI J Med Chem 56: 5395-406 (2014) LUNAM Universit£ 2D 3D TSV
23792961 10 Site-specific inhibitory mechanism for amyloid ▀42 aggregation by catechol-type flavonoids targeting the Lys residues.BDB J Biol Chem 288: 23212-24 (2013) Kyoto University 2D 3D TSV
23792351 15 Nonclassical antifolates, part 4. 5-(2-aminothiazol-4-yl)-4-phenyl-4H-1,2,4-triazole-3-thiols as a new class of DHFR inhibitors: synthesis, biological evaluation and molecular modeling study.EBI Eur J Med Chem 66: 135-45 (2013) King Saud University 2D 3D TSV
23792318 10 Nitric oxide donating anilinopyrimidines: synthesis and biological evaluation as EGFR inhibitors.EBI Eur J Med Chem 66: 82-90 (2013) China Pharmaceutical University 2D 3D TSV
23791868 35 Control of the intracellular levels of prostaglandin E2 through inhibition of the 15-hydroxyprostaglandin dehydrogenase for wound healing.EBI Bioorg Med Chem 21: 4477-84 (2013) Chungbuk National University 2D 3D TSV
23791569 3 Effects of (-)-epicatechin and derivatives on nitric oxide mediated induction of mitochondrial proteins.EBI Bioorg Med Chem Lett 23: 4441-6 (2013) University of California 2D 3D TSV
23791367 3 Anticancer activity and SAR studies of substituted 1,4-naphthoquinones.EBI Bioorg Med Chem 21: 4662-9 (2013) The Ohio State University 2D 3D TSV
23791076 9 Vialinin A is a ubiquitin-specific peptidase inhibitor.EBI Bioorg Med Chem Lett 23: 4328-31 (2013) Tokyo University of Agriculture 2D 3D TSV
23790721 10 Synthesis and evaluation of N8-acetylspermidine analogues as inhibitors of bacterial acetylpolyamine amidohydrolase.EBI Bioorg Med Chem 21: 4530-40 (2013) University of Pennsylvania 2D 3D TSV
23790540 17 Structure-based design of flavone-based inhibitors of wild-type and T315I mutant of ABL.EBI Bioorg Med Chem Lett 23: 4324-7 (2013) Korea Advanced Institute of Science and Technology 2D 3D TSV
23789857 19 Rational design of sulfonated A3 adenosine receptor-selective nucleosides as pharmacological tools to study chronic neuropathic pain.EBI J Med Chem 56: 5949-63 (2014) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
23786219 20 A potent small-molecule inhibitor of the MDM2-p53 interaction (MI-888) achieved complete and durable tumor regression in mice.EBI J Med Chem 56: 5553-61 (2014) University of Michigan 2D 3D TSV
23777828 1 Indole derivatives as dual-effective agents for the treatment of neurodegenerative diseases: synthesis, biological evaluation, and molecular modeling studies.EBI Bioorg Med Chem 21: 4575-80 (2013) Universit£ di Messina 2D 3D TSV
23777825 7 Design, synthesis and evaluation of novel 2-hydroxypyrrolobenzodiazepine-5,11-dione analogues as potent angiotensin converting enzyme (ACE) inhibitors.EBI Bioorg Med Chem 21: 4485-93 (2013) CSIR-Indian Institute of Chemical Technology 2D 3D TSV
23777782 107 Orally available and efficaciousa4▀1/a4▀7 integrin inhibitors.EBI Bioorg Med Chem Lett 23: 4370-3 (2013) Elan Pharmaceuticals 2D 3D TSV
23777780 1 Phosphinic acid-based inhibitors of tubulin polyglutamylases.EBI Bioorg Med Chem Lett 23: 4408-12 (2013) University of British Columbia 2D 3D TSV
23777778 101 Discovery of novel oxazolidinedione derivatives as potent and selective mineralocorticoid receptor antagonists.EBI Bioorg Med Chem Lett 23: 4388-92 (2013) Merck Research Laboratories 2D 3D TSV
23775891 83 New insights into the pharmacological chaperone activity of c2-substituted glucoimidazoles for the treatment of Gaucher disease.BDB Chembiochem 14: 1239-47 (2013) Nankai University 2D 3D TSV
23775075 6 Functional selectivity of 6'-guanidinonaltrindole (6'-GNTI) at kappa-opioid receptors in striatal neurons.BDB J Biol Chem 288: 22387-98 (2013) The Scripps Research Institute 2D 3D TSV
23773865 49 Novel 6-aminofuro[3,2-c]pyridines as potent, orally efficacious inhibitors of cMET and RON kinases.EBI Bioorg Med Chem Lett 23: 4381-7 (2013) OSI Pharmaceuticals, LLC 2D 3D TSV
23773397 1 Rationally designed sulfamides as glutamate carboxypeptidase II inhibitors.BDB Chem Biol Drug Des 82: 612-9 (2013) Washington State University, Pullman, WA, 99164-4630, USA 2D 3D TSV
23773153 33 Targeting gain of function and resistance mutations in Abl and KIT by hybrid compound design.EBI J Med Chem 56: 5757-72 (2014) Technical University of Dortmund 2D 3D TSV
23770450 3 Synthesis of N-substituted acyclic▀-amino acids and their investigation as GABA uptake inhibitors.EBI Eur J Med Chem 65: 487-99 (2013) Zentrum f£r Pharmaforschung 2D 3D TSV
23770449 16 Naphthalimides exhibit in vitro antiproliferative and antiangiogenic activities by inhibiting both topoisomerase II (topo II) and receptor tyrosine kinases (RTKs).EBI Eur J Med Chem 65: 477-86 (2013) East China University of Science and Technology 2D 3D TSV
23770058 147 Fused thiazolyl alkynes as potent mGlu5 receptor positive allosteric modulators.EBI Bioorg Med Chem Lett 23: 4037-43 (2013) Lundbeck Research USA, Inc. 2D 3D TSV
23769643 28 Synthesis, characterization, and biological assessment of the four stereoisomers of the H(3) receptor antagonist 5-fluoro-2-methyl-N-[2-methyl-4-(2-methyl[1,3']bipyrrolidinyl-1'-yl)phenyl]benzamide.EBI Bioorg Med Chem Lett 23: 4044-7 (2013) Sanofi US 2D 3D TSV
23769642 20 Design, synthesis and structure-activity relationships of zwitterionic spirocyclic compounds as potent CCR1 antagonists.EBI Bioorg Med Chem Lett 23: 4026-30 (2013) AstraZeneca 2D 3D TSV
23769640 17 A highly catalytically active┐-carbonic anhydrase from the pathogenic anaerobe Porphyromonas gingivalis and its inhibition profile with anions and small molecules.EBI Bioorg Med Chem Lett 23: 4067-71 (2013) Istituto di Biochimica delle Proteine - CNR 2D 3D TSV
23769639 17 Hydroxyethylamine-based inhibitors of BACE1: P1-P3 macrocyclization can improve potency, selectivity, and cell activity.EBI Bioorg Med Chem Lett 23: 4459-64 (2013) Amgen Inc. 2D 3D TSV
23769638 9 Cyanidin, a natural flavonoid, is an agonistic ligand for liver X receptor alpha and beta and reduces cellular lipid accumulation in macrophages and hepatocytes.EBI Bioorg Med Chem Lett 23: 4185-90 (2013) Korea University 2D 3D TSV
23768909 50 Discovery of novel indolinone-based, potent, selective and brain penetrant inhibitors of LRRK2.EBI Bioorg Med Chem Lett 23: 4085-90 (2013) Novartis Institutes for BioMedical Research 2D 3D TSV
23768907 6 Structure-activity relationships of bisphenol A analogs at estrogen receptors (ERs): discovery of an ERa-selective antagonist.EBI Bioorg Med Chem Lett 23: 4031-6 (2013) The University of Tokyo 2D 3D TSV
23768906 5 Structure-based design of novel HCV NS5B thumb pocket 2 allosteric inhibitors with submicromolar gt1 replicon potency: discovery of a quinazolinone chemotype.EBI Bioorg Med Chem Lett 23: 4132-40 (2013) Boehringer Ingelheim (Canada) Ltd 2D 3D TSV
23768661 6 Design, synthesis and neuroprotective evaluation of novel tacrine-benzothiazole hybrids as multi-targeted compounds against Alzheimer's disease.EBI Bioorg Med Chem 21: 4559-69 (2013) Universidade T£cnica de Lisboa 2D 3D TSV
23767404 97 Discovery of potent and selective benzothiazole hydrazone inhibitors of Bcl-XL.EBI J Med Chem 56: 5514-40 (2014) The Walter and Eliza Hall Institute of Medical Research 2D 3D TSV
23757209 10 Synthesis, biological evaluation, X-ray molecular structure and molecular docking studies of RGD mimetics containing 6-amino-2,3-dihydroisoindolin-1-one fragment as ligands of integrinaIIb▀3.EBI Bioorg Med Chem 21: 4646-61 (2013) A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine 2D 3D TSV
23757208 29 Discovery of benzamide analogs as negative allosteric modulators of human neuronal nicotinic receptors: pharmacophore modeling and structure-activity relationship studies.EBI Bioorg Med Chem 21: 4730-43 (2013) The Ohio State University 2D 3D TSV
23756368 49 Synthesis and structure-activity relationship of 2-arylamino-4-aryl-pyrimidines as potent PAK1 inhibitors.EBI Bioorg Med Chem Lett 23: 4072-5 (2013) Astex Pharmaceuticals, Inc. 2D 3D TSV
23756063 25 The discovery of potent selective NPY Y(2) antagonists.EBI Bioorg Med Chem Lett 23: 4141-4 (2013) Janssen Research& Development LLC 2D 3D TSV
23756062 25 Discovery of TD-8954, a clinical stage 5-HT(4) receptor agonist with gastrointestinal prokinetic properties.EBI Bioorg Med Chem Lett 23: 4210-5 (2013) Theravance, Inc. 2D 3D TSV
23755884 23 Design, synthesis, and evaluation of novel VEGFR2 kinase inhibitors: discovery of [1,2,4]triazolo[1,5-a]pyridine derivatives with slow dissociation kinetics.EBI Bioorg Med Chem 21: 4714-29 (2013) Takeda Pharmaceutical Company, Ltd 2D 3D TSV
23755875 4 Siderocalin outwits the coordination chemistry of vibriobactin, a siderophore of Vibrio cholerae.BDB ACS Chem Biol 8: 1882-7 (2013) University of California 2D 3D TSV
23751758 15 A small molecule bidentate-binding dual inhibitor probe of the LRRK2 and JNK kinases.BDB ACS Chem Biol 8: 1747-54 (2013) The Scripps Research Institute 2D 3D TSV
23751098 24 Highly efficient biocompatible neuroprotectants with dual activity as antioxidants and P2Y receptor agonists.EBI J Med Chem 56: 4938-52 (2013) Bar-Ilan University 2D 3D TSV
23750537 3 Synthesis and mechanism of hypoglycemic activity of benzothiazole derivatives.EBI J Med Chem 56: 5335-50 (2014) Bar Ilan University 2D 3D TSV
23747808 51 Discovery and structure-activity relationships of ent-Kaurene diterpenoids as potent and selective 11▀-HSD1 inhibitors: potential impact in diabetes.EBI Eur J Med Chem 65: 403-14 (2013) Chinese Academy of Sciences 2D 3D TSV
23747805 124 Synthesis, structure-property relationships and pharmacokinetic evaluation of ethyl 6-aminonicotinate sulfonylureas as antagonists of the P2Y12 receptor.EBI Eur J Med Chem 65: 360-75 (2013) AstraZeneca 2D 3D TSV
23747226 4 Design, synthesis, functional and structural characterization of an inhibitor of N-acetylneuraminate-9-phosphate phosphatase: observation of extensive dynamics in an enzyme/inhibitor complex.EBI Bioorg Med Chem Lett 23: 4107-11 (2013) Bristol-Myers Squibb Research and Development 2D 3D TSV
23747224 7 Inhibition of Candida albicans isocitrate lyase activity by cadiolides and synoilides from the ascidian Synoicum sp.EBI Bioorg Med Chem Lett 23: 4099-101 (2013) Seoul National University 2D 3D TSV
23746476 1 Synthesis and evaluation of a conditionally-silent agonist for thea7 nicotinic acetylcholine receptor.EBI Bioorg Med Chem Lett 23: 4145-9 (2013) University of Florida 2D 3D TSV
23746472 34 Synthesis and acrosin inhibitory activities of 5-phenyl-1H-pyrazole-3-carboxylic acid amide derivatives.EBI Bioorg Med Chem Lett 23: 4177-84 (2013) Second Military Medical University 2D 3D TSV
23746300 12 Dissecting cytochrome P450 3A4-ligand interactions using ritonavir analogues.BDB Biochemistry 52: 4474-81 (2013) University of California at Irvine 2D 3D TSV
23746084 25 Design, synthesis, and biological evaluation of pyrazolo[3,4-d]pyrimidines active in vivo on the Bcr-Abl T315I mutant.EBI J Med Chem 56: 5382-94 (2014) Universit£ degli Studi di Siena 2D 3D TSV
23743287 21 2-Aminothiazole based P2Y(1) antagonists as novel antiplatelet agents.EBI Bioorg Med Chem Lett 23: 4206-9 (2013) Bristol-Myers Squibb 2D 3D TSV
23743278 58 Design, synthesis and evaluation of inhibitor of apoptosis protein (IAP) antagonists that are highly selective for the BIR2 domain of XIAP.EBI Bioorg Med Chem Lett 23: 4253-7 (2013) Sanford-Burnham Medical Research Institute 2D 3D TSV
23742272 9 PARP inhibitor with selectivity toward ADP-ribosyltransferase ARTD3/PARP3.BDB ACS Chem Biol 8: 1698-703 (2013) Ume£ University 2D 3D TSV
23742252 81 Synthesis, structure-activity relationships, and in vivo efficacy of the novel potent and selective anaplastic lymphoma kinase (ALK) inhibitor 5-chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl)phenyl)-N4-(2-(isopropylsulfonyl)phenyl)pyrimidine-2,4-diamine (LDK378) currently in phase 1 and phase EBI J Med Chem 56: 5675-90 (2014) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
23737523 3 The chlorite dismutase (HemQ) from Staphylococcus aureus has a redox-sensitive heme and is associated with the small colony variant phenotype.BDB J Biol Chem 288: 23488-504 (2013) University of Notre Dame 2D 3D TSV
23735828 15 Identification of 1,6-dihydropyrazolo[4,3-c]carbazoles and 3,6-dihydropyrazolo[3,4-c]carbazoles as new Pim kinase inhibitors.EBI Bioorg Med Chem 21: 4102-11 (2013) Clermont Universit£ 2D 3D TSV
23735744 1 BACE1 inhibitors: a head group scan on a series of amides.EBI Bioorg Med Chem Lett 23: 4239-43 (2013) F. Hoffmann-La Roche Ltd. 2D 3D TSV
23735282 13 Evaluation of thiazole containing biaryl analogs as diacylglycerol acyltransferase 1 (DGAT1) inhibitors.EBI Eur J Med Chem 65: 337-47 (2013) Piramal Enterprises Limited 2D 3D TSV
23735281 1 Stereoselective synthesis and anti-proliferative effects on prostate cancer evaluation of 5-substituted-3,4-diphenylfuran-2-ones.EBI Eur J Med Chem 65: 323-36 (2013) Henan University of Traditional Chinese Medicine 2D 3D TSV
23735006 17 Constrained H-Phe-Phe-NH2 analogues with high affinity to the substance P 1-7 binding site and with improved metabolic stability and cell permeability.EBI J Med Chem 56: 4953-65 (2013) Uppsala University 2D 3D TSV
23734673 10 Chemistry, pharmacology, and behavioral studies identify chiral cyclopropanes as selectivea4▀2-nicotinic acetylcholine receptor partial agonists exhibiting an antidepressant profile. Part II.EBI J Med Chem 56: 5495-504 (2014) University of Illinois at Chicago 2D 3D TSV
23734634 33 Thes2 receptor: a novel protein for the imaging and treatment of cancer.EBI J Med Chem 56: 7137-60 (2013) Washington University School of Medicine 2D 3D TSV
23731360 12 Synthesis of mixed (E,Z)-, (E)-, and (Z)-norendoxifen with dual aromatase inhibitory and estrogen receptor modulatory activities.EBI J Med Chem 56: 4611-8 (2013) Purdue University 2D 3D TSV
23730937 55 Functionally selective dopamine D2/D3 receptor agonists comprising an enyne moiety.EBI J Med Chem 56: 5130-41 (2013) Friedrich Alexander University 2D 3D TSV
23727536 4 The development of a new class of inhibitors for betaine-homocysteine S-methyltransferase.EBI Eur J Med Chem 65: 256-75 (2013) Academy of Sciences of the Czech Republic 2D 3D TSV
23727194 15 1-substituted apomorphines as potent dopamine agonists.EBI Bioorg Med Chem 21: 4143-50 (2013) University of Tartu 2D 3D TSV
23727046 84 N-Acyl-N'-arylpiperazines as negative allosteric modulators of mGlu1: identification of VU0469650, a potent and selective tool compound with CNS exposure in rats.EBI Bioorg Med Chem Lett 23: 3713-8 (2013) Vanderbilt University Medical Center 2D 3D TSV
23727045 1 Macrocyclic inhibitors of 3C and 3C-like proteases of picornavirus, norovirus, and coronavirus.EBI Bioorg Med Chem Lett 23: 3709-12 (2013) Wichita State University 2D 3D TSV
23727044 6 Discovery of non-LBD inhibitor for androgen receptor by structure-guide design.EBI Bioorg Med Chem Lett 23: 3887-90 (2013) Korea Research Institute of Chemical Technology 2D 3D TSV
23726345 41 Design, synthesis and biological evaluation of novel aminothiazoles as antiviral compounds acting against human rhinovirus.EBI Bioorg Med Chem Lett 23: 3841-7 (2013) Boehringer Ingelheim (Canada) Ltd. 2D 3D TSV
23726344 14 Heterocyclic modification of a novel bicyclo[3.1.0]hexane NPY1 receptor antagonist.EBI Bioorg Med Chem Lett 23: 3814-7 (2013) Bristol-Myers Squibb Research and Development 2D 3D TSV
23726034 117 Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation.EBI Bioorg Med Chem Lett 23: 3741-8 (2013) Novartis Institutes for BioMedical Research 2D 3D TSV
23726031 2 Rhodanine-based PRL-3 inhibitors blocked the migration and invasion of metastatic cancer cells.EBI Bioorg Med Chem Lett 23: 3769-74 (2013) University of Science and Technology 2D 3D TSV
23726030 3 Affinity-based screening of MDM2/MDMX-p53 interaction inhibitors by chemical array: identification of novel peptidic inhibitors.EBI Bioorg Med Chem Lett 23: 3802-5 (2013) Kyoto University 2D 3D TSV
23726028 20 Synthesis and biological evaluation of sorafenib- and regorafenib-like sEH inhibitors.EBI Bioorg Med Chem Lett 23: 3732-7 (2013) University of California 2D 3D TSV
23726026 12 Activity-lipophilicity relationship studies on P-gp ligands designed as simplified tariquidar bulky fragments.EBI Bioorg Med Chem Lett 23: 3728-31 (2013) Universit£ degli Studi di Bari A. Moro 2D 3D TSV
23725560 22 Quantitative analysis of histone demethylase probes using fluorescence polarization.EBI J Med Chem 56: 5198-202 (2013) University of Colorado 2D 3D TSV
23721952 34 An atom economic synthesis and AChE inhibitory activity of novel dispiro 7-aryltetrahydro-1H-pyrrolo[1,2-c][1,3]thiazole and 4-aryloctahydroindolizine N-methylpiperidin-4-one hybrid heterocycles.EBI Eur J Med Chem 65: 240-8 (2013) Madurai Kamaraj University 2D 3D TSV
23721919 2 The synthesis of neurotensin antagonist SR 48692 for prostate cancer research.EBI Bioorg Med Chem 21: 4378-87 (2013) Durham University 2D 3D TSV
23721803 6 The development of CNS-active LRRK2 inhibitors using property-directed optimisation.EBI Bioorg Med Chem Lett 23: 3690-6 (2013) The University of Sydney 2D 3D TSV
23721423 144 Identification of 2-(2-(1-naphthoyl)-8-fluoro-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)acetic acid (setipiprant/ACT-129968), a potent, selective, and orally bioavailable chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2) antagonist.EBI J Med Chem 56: 4899-911 (2013) Actelion Pharmaceuticals Ltd. 2D 3D TSV
23719508 26 Discovery of two classes of potent glycomimetic inhibitors of Pseudomonas aeruginosa LecB with distinct binding modes.BDB ACS Chem Biol 8: 1775-84 (2013) University of Konstanz 2D 3D TSV
23719288 41 Discovery of novel series of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones as human chymase inhibitors using structure-based drug design.EBI Bioorg Med Chem 21: 4233-49 (2013) Asubio Pharma Co., Ltd 2D 3D TSV
23719231 46 Structure-activity relationship studies and sleep-promoting activity of novel 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine derivatives as dual orexin receptor antagonists. Part 2.EBI Bioorg Med Chem Lett 23: 3857-63 (2013) Actelion Pharmaceuticals Ltd 2D 3D TSV
23718281 7 Discovery of (R)-(2-fluoro-4-((-4-methoxyphenyl)ethynyl)phenyl) (3-hydroxypiperidin-1-yl)methanone (ML337), an mGlu3 selective and CNS penetrant negative allosteric modulator (NAM).EBI J Med Chem 56: 5208-12 (2013) Vanderbilt University Medical Center 2D 3D TSV
23713606 116 8-Benzamidochromen-4-one-2-carboxylic acids: potent and selective agonists for the orphan G protein-coupled receptor GPR35.EBI J Med Chem 56: 5182-97 (2013) University of Bonn 2D 3D TSV
23713581 75 A potent and selective small-molecule inhibitor for the lymphoid-specific tyrosine phosphatase (LYP), a target associated with autoimmune diseases.EBI J Med Chem 56: 4990-5008 (2013) Indiana University School of Medicine 2D 3D TSV
23713567 13 Systematic structure modifications of multitarget prostate cancer drug candidate galeterone to produce novel androgen receptor down-regulating agents as an approach to treatment of advanced prostate cancer.EBI J Med Chem 56: 4880-98 (2013) University of Maryland 2D 3D TSV
23712084 2 Development and characterization of a promising fluorine-18 labelled radiopharmaceutical for in vivo imaging of fatty acid amide hydrolase.EBI Bioorg Med Chem 21: 4351-7 (2013) Centre for Addiction and Mental Health 2D 3D TSV
23711919 62 Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 3.EBI Bioorg Med Chem Lett 23: 3798-801 (2013) Kitasato University 2D 3D TSV
23710622 15 Interfacial cavity filling to optimize CD4-mimetic miniprotein interactions with HIV-1 surface glycoprotein.EBI J Med Chem 56: 5033-47 (2013) iBiTecS, CEA 2D 3D TSV
23710549 18 Re-evolution of the 2-phenylquinolines: ligand-based design, synthesis, and biological evaluation of a potent new class of Staphylococcus aureus NorA efflux pump inhibitors to combat antimicrobial resistance.EBI J Med Chem 56: 4975-89 (2013) Universit£ degli Studi di Perugia 2D 3D TSV
23707920 3 A thienopyrimidine derivative induces growth inhibition and apoptosis in human cancer cell lines via inhibiting Aurora B kinase activity.EBI Eur J Med Chem 65: 151-7 (2013) Fudan University 2D 3D TSV
23707259 98 The discovery of BMS-457, a potent and selective CCR1 antagonist.EBI Bioorg Med Chem Lett 23: 3833-40 (2013) Bristol-Myers Squibb Company 2D 3D TSV
23707258 36 Optimization of novel nipecotic bis(amide) inhibitors of the Rho/MKL1/SRF transcriptional pathway as potential anti-metastasis agents.EBI Bioorg Med Chem Lett 23: 3826-32 (2013) College of Pharmacy 2D 3D TSV
23707256 62 Membrane anchoring┐-secretase modulators with terpene-derived moieties.EBI Bioorg Med Chem Lett 23: 3852-6 (2013) Technische Universit£t Darmstadt 2D 3D TSV
23707254 7 Selectivity of phenothiazine cholinesterase inhibitors for neurotransmitter systems.EBI Bioorg Med Chem Lett 23: 3822-5 (2013) Dalhousie University 2D 3D TSV
23702473 10 Indazoles as potential c-Met inhibitors: design, synthesis and molecular docking studies.EBI Eur J Med Chem 65: 112-8 (2013) Guangdong Pharmaceutical University 2D 3D TSV
23701517 12 Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors.EBI J Med Chem 56: 4320-42 (2013) Amgen Inc. 2D 3D TSV
23697754 20 Rational Optimization of Drug-Target Residence Time: Insights from Inhibitor Binding to the Staphylococcus aureus FabI Enzyme-Product Complex.BDB Biochemistry 52: 4217-28 (2013) Stony Brook University 2D 3D TSV
23692872 98 Novel nicotinic acetylcholine receptor agonists containing carbonyl moiety as a hydrogen bond acceptor.EBI Bioorg Med Chem Lett 23: 3927-34 (2013) Targacept, Inc. 2D 3D TSV
23692593 20 Structural optimization, biological evaluation, and application of peptidomimetic prostate specific antigen inhibitors.EBI J Med Chem 56: 4224-35 (2013) The Johns Hopkins University 2D 3D TSV
23688699 3 Evaluation of adenine as scaffold for the development of novel P2X3 receptor antagonists.EBI Eur J Med Chem 65: 41-50 (2013) University of Camerino 2D 3D TSV
23688698 68 Synthesis and pharmacological evaluation of 2-aryloxy/arylamino-5-cyanobenzenesulfonylureas as novel thromboxane A2 receptor antagonists.EBI Eur J Med Chem 65: 32-40 (2013) University of Liege 2D 3D TSV
23688695 1 Synthesis of pyrazolo[1,5-a][1,3,5]triazine derivatives as inhibitors of thymidine phosphorylase.EBI Eur J Med Chem 65: 1-11 (2013) National University of Singapore 2D 3D TSV
23688559 30 Development of time resolved fluorescence resonance energy transfer-based assay for FXR antagonist discovery.EBI Bioorg Med Chem 21: 4266-78 (2013) City of Hope National Medical Center 2D 3D TSV
23688558 37 Antagonism of L-type Ca2+ channels CaV1.3 and CaV1.2 by 1,4-dihydropyrimidines and 4H-pyrans as dihydropyridine mimics.EBI Bioorg Med Chem 21: 4365-73 (2013) Northwestern University 2D 3D TSV
23688339 52 Screening and X-ray crystal structure-based optimization of autotaxin (ENPP2) inhibitors, using a newly developed fluorescence probe.BDB ACS Chem Biol 8: 1713-21 (2013) The University of Tokyo 2D 3D TSV
23685943 123 2-(3-Fluoro-4-methylsulfonylaminophenyl)propanamides as potent TRPV1 antagonists: structure activity relationships of the 2-oxy pyridine C-region.EBI Eur J Med Chem 64: 589-602 (2013) Seoul National University 2D 3D TSV
23685941 53 Influence of 4- or 5-substituents on the pyrrolidine ring of 5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin derivatives on their inhibitory activities towards caspases-3 and -7.EBI Eur J Med Chem 64: 562-78 (2013) Westf£lische Wilhelms-Universit£t M£nster 2D 3D TSV
23685886 2 Further studies on bis-charged tetraazacyclophanes as potent inhibitors of small conductance Ca(2+)-activated K+ channels.EBI Eur J Med Chem 63: 907-23 (2013) University College London 2D 3D TSV
23685572 55 Design, synthesis and evaluation of novel tacrine-coumarin hybrids as multifunctional cholinesterase inhibitors against Alzheimer's disease.EBI Eur J Med Chem 64: 540-53 (2013) China Pharmaceutical University 2D 3D TSV
23685570 49 Further studies on 2-arylacetamide pyridazin-3(2H)-ones: design, synthesis and evaluation of 4,6-disubstituted analogs as formyl peptide receptors (FPRs) agonists.EBI Eur J Med Chem 64: 512-28 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
23685180 1 Design, synthesis and evaluation of retinoids with novel bulky hydrophobic partial structures.EBI Bioorg Med Chem 21: 4342-50 (2013) Research Foundation Itsuu Laboratory 2D 3D TSV
23685178 6 Australian marine sponge alkaloids as a new class of glycine-gated chloride channel receptor modulator.EBI Bioorg Med Chem 21: 4420-5 (2013) The University of Queensland 2D 3D TSV
23685177 4 Potent suppression of c-di-GMP synthesis via I-site allosteric inhibition of diguanylate cyclases with 2'-F-c-di-GMP.EBI Bioorg Med Chem 21: 4396-404 (2013) University of Maryland 2D 3D TSV
23685174 6 Natural product hybrid and its superacid synthesized analogues: dodoneine and its derivatives show selective inhibition of carbonic anhydrase isoforms I, III, XIII and XIV.EBI Bioorg Med Chem 21: 3790-4 (2013) Superacid Group in Organic Synthesis Team-Universit£ de Poitiers 2D 3D TSV
23684894 12 Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.EBI Bioorg Med Chem Lett 23: 3818-21 (2013) University of California 2D 3D TSV
23684893 8 Spongiacidin C, a pyrrole alkaloid from the marine sponge Stylissa massa, functions as a USP7 inhibitor.EBI Bioorg Med Chem Lett 23: 3884-6 (2013) Kumamoto University 2D 3D TSV
23684233 10 Asymmetric synthesis of the four diastereoisomers of a novel non-steroidal farnesoid X receptor (FXR) agonist: role of the chirality on the biological activity.EBI Bioorg Med Chem 21: 3780-9 (2013) Universit£ di Perugia 2D 3D TSV
23683835 21 Synthesis of organic nitrates of luteolin as a novel class of potent aldose reductase inhibitors.EBI Bioorg Med Chem 21: 4301-10 (2013) Xiangtan University 2D 3D TSV
23683589 21 Synthesis of kojic acid derivatives as secondary binding site probes of D-amino acid oxidase.EBI Bioorg Med Chem Lett 23: 3910-3 (2013) Johns Hopkins University 2D 3D TSV
23683440 40 Selective Small Molecule Probes for the Hypoxia Inducible Factor (HIF) Prolyl Hydroxylases.BDB ACS Chem Biol 8: 1488-96 (2013) University of Oxford 2D 3D TSV
23680866 33 Synthesis and receptor binding studies of novel 4,4-disubstituted arylalkyl/arylalkylsulfonyl piperazine and piperidine-based derivatives as a new class ofs1 ligands.EBI Eur J Med Chem 64: 488-97 (2013) NSTRI 2D 3D TSV
23679955 100 Antagonists for the orphan G-protein-coupled receptor GPR55 based on a coumarin scaffold.EBI J Med Chem 56: 4798-810 (2013) University of Bonn 2D 3D TSV
23679915 11 Medicinal chemistry of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors.EBI J Med Chem 56: 6279-96 (2013) Universit£ degli Studi del Piemonte Orientale"A. Avogadro" 2D 3D TSV
23678871 59 Discovery of a highly potent, nonabsorbable apical sodium-dependent bile acid transporter inhibitor (GSK2330672) for treatment of type 2 diabetes.EBI J Med Chem 56: 5094-114 (2013) GlaxoSmithKline Research& Development 2D 3D TSV
23676086 9 Identification of M. tuberculosis thioredoxin reductase inhibitors based on high-throughput docking using constraints.EBI J Med Chem 56: 4849-59 (2013) MSD Animal Health Innovation GmbH 2D 3D TSV
23675993 13 Synthesis and biological investigation of coumarin piperazine (piperidine) derivatives as potential multireceptor atypical antipsychotics.EBI J Med Chem 56: 4671-90 (2013) Huazhong University of Science and Technology 2D 3D TSV
23675965 64 Synthesis and pharmacological characterization of 4-substituted-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylates: identification of new potent and selective metabotropic glutamate 2/3 receptor agonists.EBI J Med Chem 56: 4442-55 (2013) Eli Lilly and Company 2D 3D TSV
23673215 19 Synthesis, biological evaluation, and molecular docking studies of novel 1,3,4-oxadiazole derivatives possessing benzotriazole moiety as FAK inhibitors with anticancer activity.EBI Bioorg Med Chem 21: 3723-9 (2013) Nanjing University 2D 3D TSV
23672690 4 Contributions of academic laboratories to the discovery and development of chemical biology tools.EBI J Med Chem 56: 7161-76 (2013) University of Pittsburgh Chemical Diversity Center (UP-CDC) 2D 3D TSV
23672613 8 Fragment-based ligand design of novel potent inhibitors of tankyrases.EBI J Med Chem 56: 4497-508 (2013) Nanyang Technological University 2D 3D TSV
23672185 3 Discovery of the first histone deacetylase 6/8 dual inhibitors.EBI J Med Chem 56: 4816-20 (2013) Broad Institute of MIT and Harvard 2D 3D TSV
23668989 28 New azole antagonists with high affinity for the P2Y(1) receptor.EBI Bioorg Med Chem Lett 23: 3519-22 (2013) Bristol-Myers Squibb Company 2D 3D TSV
23668988 81 Discovery of potent and efficacious urea-containing nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with reduced CYP2C9 inhibition properties.EBI Bioorg Med Chem Lett 23: 3531-8 (2013) Genentech 2D 3D TSV
23668484 15 Lead optimization of a 4-aminopyridine benzamide scaffold to identify potent, selective, and orally bioavailable TYK2 inhibitors.EBI J Med Chem 56: 4521-36 (2013) Genentech 2D 3D TSV
23668331 120 Optimization of benzoxazole-based inhibitors of Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase.EBI J Med Chem 56: 4028-43 (2013) Brandeis University 2D 3D TSV
23665143 8 Manzamine A, a marine-derived alkaloid, inhibits accumulation of cholesterol ester in macrophages and suppresses hyperlipidemia and atherosclerosis in vivo.EBI Bioorg Med Chem 21: 3831-8 (2013) Kumamoto University 2D 3D TSV
23665106 5 Synthesis and antiproliferative activity of 4-substituted-piperazine-1-carbodithioate derivatives of 2,4-diaminoquinazoline.EBI Eur J Med Chem 64: 401-9 (2013) Capital Normal University 2D 3D TSV
23664879 73 Discovery of 1-(1,3,5-triazin-2-yl)piperidine-4-carboxamides as inhibitors of soluble epoxide hydrolase.EBI Bioorg Med Chem Lett 23: 3584-8 (2013) GlaxoSmithKline 2D 3D TSV
23664876 1 Solid phase synthesis and biological evaluation of probestin as an angiogenesis inhibitor.EBI Bioorg Med Chem Lett 23: 3561-4 (2013) The University of Oklahoma Health Sciences Center 2D 3D TSV
23664874 16 Discovery of TAK-960: an orally available small molecule inhibitor of polo-like kinase 1 (PLK1).EBI Bioorg Med Chem Lett 23: 3662-6 (2013) Takeda California 2D 3D TSV
23664871 5 Development of a triclosan scaffold which allows for adaptations on both the A- and B-ring for transport peptides.EBI Bioorg Med Chem Lett 23: 3551-5 (2013) University of Leeds 2D 3D TSV
23664215 45 Discovery of new potent inhibitors for carbonic anhydrase IX by structure-based virtual screening.EBI Bioorg Med Chem Lett 23: 3496-9 (2013) East China University of Science and Technology 2D 3D TSV
23664164 40 Novel 1H-imidazol-2-amine derivatives as potent and orally active vascular adhesion protein-1 (VAP-1) inhibitors for diabetic macular edema treatment.EBI Bioorg Med Chem 21: 3873-81 (2013) Astellas Pharma Inc. 2D 3D TSV
23664099 32 Design, synthesis, quantum chemical studies and biological activity evaluation of pyrazole-benzimidazole derivatives as potent Aurora A/B kinase inhibitors.EBI Bioorg Med Chem Lett 23: 3523-30 (2013) Xuzhou Medical College 2D 3D TSV
23663316 39 In vitro study of isoflavones and isoflavans as potent inhibitors of human 12- and 15-lipoxygenases.BDB Chem Biol Drug Des 82: 317-25 (2013) Universidad de Santiago de Chile 2D 3D TSV
23663081 49 Design, synthesis and biological evaluation of novel inosine 5'-monophosphate dehydrogenase (IMPDH) inhibitors.BDB J Enzyme Inhib Med Chem 29: 408-19 (2014) Nycomed 2D 3D TSV
23662903 34 Discovery of 2-{3-[2-(1-isopropyl-3-methyl-1H-1,2-4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl]-1H-pyrazol-1-yl}-2-methylpropanamide (GDC-0032): a▀-sparing phosphoinositide 3-kinase inhibitor with high unbound exposure and robust in vivo antitumor activity.EBI J Med Chem 56: 4597-610 (2013) Genentech 2D 3D TSV
23662817 1 Development of oleanane-type triterpenes as a new class of HCV entry inhibitors.EBI J Med Chem 56: 4300-19 (2013) Peking University 2D 3D TSV
23661699 15 Structural and biochemical characterization of compounds inhibiting Mycobacterium tuberculosis pantothenate kinase.BDB J Biol Chem 288: 18260-70 (2013) Uppsala University 2D 3D TSV
23660015 5 Functional consequences of retro-inverso isomerization of a miniature protein inhibitor of the p53-MDM2 interaction.EBI Bioorg Med Chem 21: 4045-50 (2013) Southwest University 2D 3D TSV
23659858 17 Evaluation of selective inhibitors of 11▀-HSD1 for the treatment of hypertension.EBI Bioorg Med Chem Lett 23: 3650-3 (2013) Merck& Co. 2D 3D TSV
23659855 36 Design, synthesis and structure activity relationships of spirocyclic compounds as potent CCR1 antagonists.EBI Bioorg Med Chem Lett 23: 3500-4 (2013) AstraZeneca 2D 3D TSV
23659711 12 Study of binding thermodynamics in the optimization of BH3 mimetics.BDB Chem Biol Drug Des 82: 394-400 (2013) Dalian University of Technology 2D 3D TSV
23659214 138 Identification of C-2 hydroxyethyl imidazopyrrolopyridines as potent JAK1 inhibitors with favorable physicochemical properties and high selectivity over JAK2.EBI J Med Chem 56: 4764-85 (2013) Genentech 2D 3D TSV
23659209 30 Discovery of potent, selective chymase inhibitors via fragment linking strategies.EBI J Med Chem 56: 4465-81 (2013) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
23656512 30 1-Phenyl-4-benzoyl-1H-1,2,3-triazoles as orally bioavailable transcriptional function suppressors of estrogen-related receptora.EBI J Med Chem 56: 4631-40 (2013) Chinese Academy of Sciences 2D 3D TSV
23656488 18 Synthesis, 18F-radiolabeling, and in vivo biodistribution studies of N-fluorohydroxybutyl isatin sulfonamides using positron emission tomography.EBI J Med Chem 56: 4509-20 (2013) Westf£lische Wilhelms-Universit£t M£nster 2D 3D TSV
23656455 3 Binding mechanism of the farnesoid X receptor marine antagonist suvanine reveals a strategy to forestall drug modulation on nuclear receptors. Design, synthesis, and biological evaluation of novel ligands.EBI J Med Chem 56: 4701-17 (2013) Istituto Italiano di Tecnologia 2D 3D TSV
23656407 4 X-ray crystal structure of ERK5 (MAPK7) in complex with a specific inhibitor.EBI J Med Chem 56: 4413-21 (2013) University of Oxford 2D 3D TSV
23656360 23 Optimized method of G-protein-coupled receptor homology modeling: its application to the discovery of novel CXCR7 ligands.EBI J Med Chem 56: 4236-51 (2013) PharmaDesign Inc. 2D 3D TSV
23656296 51 Optimized chemical probes for REV-ERBa.EBI J Med Chem 56: 4729-37 (2013) GlaxoSmithKline 2D 3D TSV
23651509 13 Synthesis and biological evaluation of C-glucosides with azulene rings as selective SGLT2 inhibitors for the treatment of type 2 diabetes mellitus: discovery of YM543.EBI Bioorg Med Chem 21: 3934-48 (2013) Astellas Pharmaceutical Inc. 2D 3D TSV
23651455 1 Design and selection parameters to accelerate the discovery of novel central nervous system positron emission tomography (PET) ligands and their application in the development of a novel phosphodiesterase 2A PET ligand.EBI J Med Chem 56: 4568-79 (2013) Pfizer Inc. 2D 3D TSV
23651412 90 Structure-activity relationship of N,N'-disubstituted pyrimidinetriones as Ca(V)1.3 calcium channel-selective antagonists for Parkinson's disease.EBI J Med Chem 56: 4786-97 (2013) Northwestern University 2D 3D TSV
23651330 1 Discovery of novel STAT3 small molecule inhibitors via in silico site-directed fragment-based drug design.EBI J Med Chem 56: 4402-12 (2013) The Ohio State University 2D 3D TSV
23651223 61 A potent bivalent Smac mimetic (SM-1200) achieving rapid, complete, and durable tumor regression in mice.EBI J Med Chem 56: 3969-79 (2013) University of Michigan 2D 3D TSV
23648181 31 Discovery and optimization of arylsulfonyl 3-(pyridin-2-yloxy)anilines as novel GPR119 agonists.EBI Bioorg Med Chem Lett 23: 3609-13 (2013) Amgen Inc. 2D 3D TSV
23647428 84 Xanthates and trithiocarbonates strongly inhibit carbonic anhydrases and show antiglaucoma effects in vivo.EBI J Med Chem 56: 4691-700 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
23647266 35 Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.EBI J Med Chem 56: 3922-35 (2013) Max Institute of Psychiatry 2D 3D TSV
23644213 57 Low molecular weight dual inhibitors of factor Xa and fibrinogen binding to GPIIb/IIIa with highly overlapped pharmacophores.EBI Eur J Med Chem 64: 302-13 (2013) University of Ljubljana 2D 3D TSV
23644210 5 Synthesis and biological characterization of spiro[2H-(1,3)-benzoxazine-2,4'-piperidine] based histone deacetylase inhibitors.EBI Eur J Med Chem 64: 273-84 (2013) Congenia s.r.l. 2D 3D TSV
23644208 40 Synthesis and evaluation of 4-substituted coumarins as novel acetylcholinesterase inhibitors.EBI Eur J Med Chem 64: 252-9 (2013) University of Zanjan 2D 3D TSV
23644197 51 Synthesis and biological evaluation of novel phosphatidylinositol 3-kinase inhibitors: Solubilized 4-substituted benzimidazole analogs of 2-(difluoromethyl)-1-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazole (ZSTK474).EBI Eur J Med Chem 64: 137-47 (2013) University of Auckland 2D 3D TSV
23644196 3 Discovery of novel bromophenol 3,4-dibromo-5-(2-bromo-3,4-dihydroxy-6-(isobutoxymethyl)benzyl)benzene-1,2-diol as protein tyrosine phosphatase 1B inhibitor and its anti-diabetic properties in C57BL/KsJ-db/db mice.EBI Eur J Med Chem 64: 129-36 (2013) Chinese Academy of Sciences 2D 3D TSV
23644189 12 Design, synthesis and antitumour activity of bisquinoline derivatives connected by 4-oxy-3-fluoroaniline moiety.EBI Eur J Med Chem 64: 62-73 (2013) Shenyang Pharmaceutical University 2D 3D TSV
23643900 35 Structure-activity relationship of human glutaminyl cyclase inhibitors having an N-(5-methyl-1H-imidazol-1-yl)propyl thiourea template.EBI Bioorg Med Chem 21: 3821-30 (2013) Seoul National University 2D 3D TSV
23642482 62 Novel triazolo-pyrrolopyridines as inhibitors of Janus kinase 1.EBI Bioorg Med Chem Lett 23: 3592-8 (2013) Argenta Discovery Ltd. 2D 3D TSV
23642479 277 Small-molecule pyrimidine inhibitors of the cdc2-like (Clk) and dual specificity tyrosine phosphorylation-regulated (Dyrk) kinases: development of chemical probe ML315.EBI Bioorg Med Chem Lett 23: 3654-61 (2013) University of Kansas Specialized Chemistry Center 2D 3D TSV
23641311 38 From a4▀2 Nicotinic Ligands to the Discovery of s1 Receptor Ligands: Pharmacophore Analysis and Rational Design.EBI ACS Med Chem Lett 3: 1054-1058 (2012) TBA 2D 3D TSV
23639652 18 Synthetic chalcones and sulfonamides as new classes of Yersinia enterocolitica YopH tyrosine phosphatase inhibitors.EBI Eur J Med Chem 64: 35-41 (2013) Universidade Federal de Santa Catarina 2D 3D TSV
23639651 20 Development of peptidomimetic boronates as proteasome inhibitors.EBI Eur J Med Chem 64: 23-34 (2013) Universit£ degli Studi di Messina 2D 3D TSV
23639544 4 Synthesis of proline analogues as potent and selective cathepsin S inhibitors.EBI Bioorg Med Chem Lett 23: 3140-4 (2013) Hanmi Research Center 2D 3D TSV
23639542 32 NO-donating tacrine derivatives as potential butyrylcholinesterase inhibitors with vasorelaxation activity.EBI Bioorg Med Chem Lett 23: 3162-5 (2013) China Pharmaceutical University 2D 3D TSV
23639540 89 Synthesis and structure-activity relationships of a novel and selective bone morphogenetic protein receptor (BMP) inhibitor derived from the pyrazolo[1.5-a]pyrimidine scaffold of dorsomorphin: the discovery of ML347 as an ALK2 versus ALK3 selective MLPCN probe.EBI Bioorg Med Chem Lett 23: 3248-52 (2013) Vanderbilt University Medical Center 2D 3D TSV
23639535 17 Modular, efficient synthesis of asymmetrically substituted piperazine scaffolds as potent calcium channel blockers.EBI Bioorg Med Chem Lett 23: 3257-61 (2013) University of British Columbia 2D 3D TSV
23634759 32 Indazole-based potent and cell-active Mps1 kinase inhibitors: rational design from pan-kinase inhibitor anthrapyrazolone (SP600125).EBI J Med Chem 56: 4343-56 (2013) Shionogi Pharmaceutical Research Center 2D 3D TSV
23634668 97 Pyridinylquinazolines selectively inhibit human methionine aminopeptidase-1 in cells.EBI J Med Chem 56: 3996-4016 (2013) Johns Hopkins University School of Medicine 2D 3D TSV
23632366 33 Design, synthesis and evaluation of 1,2-benzisothiazol-3-one derivatives as potent caspase-3 inhibitors.EBI Bioorg Med Chem 21: 2960-7 (2013) NanKai University 2D 3D TSV
23632270 17 Discovery of potent transient receptor potential vanilloid 1 antagonists: design and synthesis of phenoxyacetamide derivatives.EBI Bioorg Med Chem Lett 23: 3154-6 (2013) Toray Industries, Inc. 2D 3D TSV
23632269 9 Discovery of (R)-N-(3-(7-methyl-1H-indazol-5-yl)-1-(4-(1-methylpiperidin-4-yl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxamide (BMS-742413): a potent human CGRP antagonist with superior safety profile for the treatment of migraine through intranasal delivery.EBI Bioorg Med Chem Lett 23: 3157-61 (2013) Bristol-Myers Squibb R&D 2D 3D TSV
23631755 37 Structural, kinetic, and pharmacodynamic mechanisms of D-amino acid oxidase inhibition by small molecules.EBI J Med Chem 56: 3710-24 (2013) Sunovion Pharmaceuticals Inc. 2D 3D TSV
23631440 44 Matrix metalloproteinase inhibitors based on the 3-mercaptopyrrolidine core.EBI J Med Chem 56: 4357-73 (2013) Florida State University 2D 3D TSV
23628470 40 Discovery of novel 4-(2-fluorophenoxy)quinoline derivatives bearing 4-oxo-1,4-dihydrocinnoline-3-carboxamide moiety as c-Met kinase inhibitors.EBI Bioorg Med Chem 21: 2843-55 (2013) Shenyang Pharmaceutical University 2D 3D TSV
23628336 72 Conformational restriction in a series of GPR119 agonists: differences in pharmacology between mouse and human.EBI Bioorg Med Chem Lett 23: 3175-9 (2013) AstraZeneca 2D 3D TSV
23628333 69 Identification of substituted 2-thio-6-oxo-1,6-dihydropyrimidines as inhibitors of human lactate dehydrogenase.EBI Bioorg Med Chem Lett 23: 3186-94 (2013) Genentech 2D 3D TSV
23627352 28 Design, synthesis, and molecular modeling of novel pyrido[2,3-d]pyrimidine analogues as antifolates; application of Buchwald-Hartwig aminations of heterocycles.EBI J Med Chem 56: 4422-41 (2013) Duquesne University 2D 3D TSV
23627311 88 Synthesis and structure activity relationship of tetrahydroisoquinoline-based potentiators of GluN2C and GluN2D containing N-methyl-D-aspartate receptors.EBI J Med Chem 56: 5351-81 (2014) Emory University 2D 3D TSV
23627282 10 Development and therapeutic implications of selective histone deacetylase 6 inhibitors.EBI J Med Chem 56: 6297-313 (2013) University of Illinois at Chicago 2D 3D TSV
23623679 4 Modification of agonist binding moiety in hybrid derivative 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-1-ol/-2-amino versions: impact on functional activity and selectivity for dopamine D2/D3 receptors.EBI Bioorg Med Chem 21: 3164-74 (2013) Wayne State University 2D 3D TSV
23623674 1 Synthetic approaches to the 2011 new drugs.EBI Bioorg Med Chem 21: 2795-825 (2013) Shenogen Pharma Group 2D 3D TSV
23623673 119 7-Phenyl-imidazoquinolin-4(5H)-one derivatives as selective and orally available mPGES-1 inhibitors.EBI Bioorg Med Chem 21: 2868-78 (2013) Dainippon Sumitomo Pharma. Co. Ltd 2D 3D TSV
23623490 54 Discovery of novel pyrazolo[1,5-a]pyrimidines as potent pan-Pim inhibitors by structure- and property-based drug design.EBI Bioorg Med Chem Lett 23: 3149-53 (2013) Genentech 2D 3D TSV
23623415 33 Designing bifunctional NOP receptor-mu opioid receptor ligands from NOP receptor-selective scaffolds. Part I.EBI Bioorg Med Chem Lett 23: 3308-13 (2013) Astraea Therapeutics, LLC. 2D 3D TSV
23623259 7 Human acidic mammalian chitinase as a novel target for anti-asthma drug design using in silico screening.EBI Bioorg Med Chem 21: 3214-20 (2013) Kitasato University 2D 3D TSV
23622982 2 Discovery of 2-((1H-benzo[d]imidazol-1-yl)methyl)-4H-pyrido[1,2-a]pyrimidin-4-ones as novel PKM2 activators.EBI Bioorg Med Chem Lett 23: 3358-63 (2013) Pfizer Inc. 2D 3D TSV
23621789 69 Novel adamantyl cannabinoids as CB1 receptor probes.EBI J Med Chem 56: 3904-21 (2013) Northeastern University 2D 3D TSV
23618709 70 Discovery of 3-phenyl-1H-5-pyrazolylamine derivatives containing a urea pharmacophore as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3).EBI Bioorg Med Chem 21: 2856-67 (2013) National Health Research Institutes 2D 3D TSV
23618707 27 Evaluation of N-phenyl homopiperazine analogs as potential dopamine D3 receptor selective ligands.EBI Bioorg Med Chem 21: 2988-98 (2013) Washington University School of Medicine 2D 3D TSV
23617784 74 Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (Nampt) inhibitors.EBI J Med Chem 56: 4921-37 (2013) Forma Therapeutics, Inc. 2D 3D TSV
23615903 8 The A128T resistance mutation reveals aberrant protein multimerization as the primary mechanism of action of allosteric HIV-1 integrase inhibitors.BDB J Biol Chem 288: 15813-20 (2013) The Ohio State University 2D 3D TSV
23614571 20 Development of 2'-substituted (2S,1'R,2'S)-2-(carboxycyclopropyl)glycine analogues as potent N-methyl-d-aspartic acid receptor agonists.EBI J Med Chem 56: 4071-81 (2013) University of Copenhagen 2D 3D TSV
23614528 121 Synthesis and in vitro and in vivo characterization of highlyß1-selectiveß-adrenoceptor partial agonists.EBI J Med Chem 56: 3852-65 (2013) University of Nottingham 2D 3D TSV
23614497 40 Identification and Characterization of a New Chemotype of Noncovalent SENP Inhibitors.BDB ACS Chem Biol 8: 1435-41 (2013) Beckman Research Institute of the City of Hope 2D 3D TSV
23614494 2 Structure-based fragment screening is demonstrated to be a practical lead discovery method for a representative G-protein-coupled receptor.EBI J Med Chem 56: 3444-5 (2013) Pfizer Inc. 2D 3D TSV
23614460 34 Discovery of a new class of highly potent inhibitors of acid ceramidase: synthesis and structure-activity relationship (SAR).EBI J Med Chem 56: 3518-30 (2013) Fondazione Istituto Italiano di Tecnologia 2D 3D TSV
23611771 8 The kinetic deuterium isotope effect as applied to metabolic deactivation of imatinib to the des-methyl metabolite, CGP74588.EBI Bioorg Med Chem 21: 3231-9 (2013) Novartis Institutes for Biomedical Research 2D 3D TSV
23611768 34 The systematic structure-activity relationship to predict how flavones bind to human androgen receptor for their antagonistic activity.EBI Bioorg Med Chem 21: 2968-74 (2013) Meijo University 2D 3D TSV
23611766 8 Skeletal rearrangement of seven-membered iminosugars: synthesis of (-)-adenophorine, (-)-1-epi-adenophorine and derivatives and evaluation as glycosidase inhibitors.EBI Bioorg Med Chem 21: 4803-12 (2013) Universit£ de Poitiers 2D 3D TSV
23611691 21 Protein kinase inhibitor design by targeting the Asp-Phe-Gly (DFG) motif: the role of the DFG motif in the design of epidermal growth factor receptor inhibitors.EBI J Med Chem 56: 3889-903 (2013) National Health Research Institutes 2D 3D TSV
23611656 9 Inhibition of rhodesain as a novel therapeutic modality for human African trypanosomiasis.EBI J Med Chem 56: 5637-58 (2014) Universit£ degli Studi di Milano 2D 3D TSV
23603658 33 Structure-guided design of a selective BCL-X(L) inhibitor.BDB Nat Chem Biol 9: 390-7 (2013) Walter and Eliza Hall Institute of Medical Research, Parkville, Victoria, Australia 2D 3D TSV
23603045 1 Triazolothiadiazoles and triazolothiadiazines--biologically attractive scaffolds.EBI Eur J Med Chem 63: 854-68 (2013) Quaid-i-Azam University 2D 3D TSV
23602525 67 Design, synthesis and pharmacological characterization of analogs of 2-aminoethyl diphenylborinate (2-APB), a known store-operated calcium channel blocker, for inhibition of TRPV6-mediated calcium transport.EBI Bioorg Med Chem 21: 3202-13 (2013) University of Bern 2D 3D TSV
23602523 5 The discovery of colchicine-SAHA hybrids as a new class of antitumor agents.EBI Bioorg Med Chem 21: 3240-4 (2013) East China Normal University 2D 3D TSV
23602518 50 Microwave assisted synthesis, cholinesterase enzymes inhibitory activities and molecular docking studies of new pyridopyrimidine derivatives.EBI Bioorg Med Chem 21: 3022-31 (2013) Universiti Sains Malaysia 2D 3D TSV
23602445 23 An analysis of the synthetic tryptamines AMT and 5-MeO-DALT: emerging 'Novel Psychoactive Drugs'.EBI Bioorg Med Chem Lett 23: 3411-5 (2013) UCL School of Pharmacy 2D 3D TSV
23602444 2 Cyclic peptides containing tryptophan and arginine as Src kinase inhibitors.EBI Bioorg Med Chem Lett 23: 3230-4 (2013) University of Rhode Island 2D 3D TSV
23602442 28 Discovery of diarylurea P2Y(1) antagonists with improved aqueous solubility.EBI Bioorg Med Chem Lett 23: 3239-43 (2013) Bristol-Myers Squibb 2D 3D TSV
23602398 43 Conformation constraint of anilides enabling the discovery of tricyclic lactams as potent MK2 non-ATP competitive inhibitors.EBI Bioorg Med Chem Lett 23: 3262-6 (2013) Merck Research Laboratories 2D 3D TSV
23601816 33 Synthesis and biological evaluation of Esaprazole analogues showings1 binding and neuroprotective properties in vitro.EBI Bioorg Med Chem 21: 3334-47 (2013) Nensius Research A/S 2D 3D TSV
23601814 3 Synthesis and biological evaluation of novel styryl benzimidazole derivatives as probes for imaging of neurofibrillary tangles in Alzheimer's disease.EBI Bioorg Med Chem 21: 3356-62 (2013) Kyoto University 2D 3D TSV
23601709 3 Radiosynthesis and evaluation of [11C]EMPA as a potential PET tracer for orexin 2 receptors.EBI Bioorg Med Chem Lett 23: 3389-92 (2013) Harvard Medical School 2D 3D TSV
23601708 38 2-(1H-Pyrazol-4-yl)acetic acids as CRTh2 antagonists.EBI Bioorg Med Chem Lett 23: 3349-53 (2013) Rhône-Poulenc Rorer 2D 3D TSV
23600958 57 Pyranoflavones: a group of small-molecule probes for exploring the active site cavities of cytochrome P450 enzymes 1A1, 1A2, and 1B1.EBI J Med Chem 56: 4082-92 (2013) Xavier University of Louisiana 2D 3D TSV
23600925 12 Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases.EBI J Med Chem 56: 3768-82 (2013) H. Lee Moffitt Cancer Center and Research Institute 2D 3D TSV
23598247 92 Lead optimization of 5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxyhexanamides to reduce a cardiac safety issue: discovery of DS-8108b, an orally active renin inhibitor.EBI Bioorg Med Chem 21: 3175-96 (2013) Daiichi Sankyo Co., Ltd 2D 3D TSV
23597792 20 Pyrrolidine analogs of GZ-793A: synthesis and evaluation as inhibitors of the vesicular monoamine transporter-2 (VMAT2).EBI Bioorg Med Chem Lett 23: 3342-5 (2013) University of Arkansas for Medical Sciences 2D 3D TSV
23597791 9 1,1-Difluoroethyl-substituted triazolothienopyrimidines as inhibitors of a human urea transport protein (UT-B): new analogs and binding model.EBI Bioorg Med Chem Lett 23: 3338-41 (2013) San Francisco State University 2D 3D TSV
23597102 2 Inhibition of apurinic/apyrimidinic endonuclease I's redox activity revisited.BDB Biochemistry 52: 2955-66 (2013) Indiana University School of Medicine, Indianapolis, IN 46202, USA 2D 3D TSV
23597064 68 Rational design and binding mode duality of MDM2-p53 inhibitors.EBI J Med Chem 56: 4053-70 (2013) Amgen Inc. 2D 3D TSV
23597047 5 Structure-based approaches to ligands for G-protein-coupled adenosine and P2Y receptors, from small molecules to nanoconjugates.EBI J Med Chem 56: 3749-67 (2013) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
23594271 68 Identification of selective and potent inhibitors of fibroblast activation protein and prolyl oligopeptidase.EBI J Med Chem 56: 3467-77 (2013) Tufts University Sackler School of Biomedical Sciences 2D 3D TSV
23594111 7 Discovery of a Selective Irreversible BMX Inhibitor for Prostate Cancer.BDB ACS Chem Biol 8: 1423-8 (2013) Chinese Academy of Sciences 2D 3D TSV
23594083 7 Evaluating the Role of Macrocycles in the Susceptibility of Hepatitis C Virus NS3/4A Protease Inhibitors to Drug Resistance.BDB ACS Chem Biol 8: 1469-78 (2013) University of Massachusetts Medical School 2D 3D TSV
23591112 4 Discovery of aryl ureas and aryl amides as potent and selective histamine H3 receptor antagonists for the treatment of obesity (part II).EBI Bioorg Med Chem Lett 23: 3421-6 (2013) Sanofi US 2D 3D TSV
23591111 2 A cyclodextrin-capped histone deacetylase inhibitor.EBI Bioorg Med Chem Lett 23: 3346-8 (2013) University of Sussex 2D 3D TSV
23591110 28 Discovery of aryl ureas and aryl amides as potent and selective histamine H3 receptor antagonists for the treatment of obesity (part I).EBI Bioorg Med Chem Lett 23: 3416-20 (2013) Sanofi US 2D 3D TSV
23590342 105 ß-Secretase (BACE1) inhibitors with high in vivo efficacy suitable for clinical evaluation in Alzheimer's disease.EBI J Med Chem 56: 3980-95 (2013) F. Hoffmann-La Roche Ltd 2D 3D TSV
23587425 37 Potency switch between CHK1 and MK2: discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors.EBI Bioorg Med Chem Lett 23: 2863-7 (2013) Merck Research Laboratories 2D 3D TSV
23587423 1 A small molecule inhibitor of fungal histone acetyltransferase Rtt109.EBI Bioorg Med Chem Lett 23: 2853-9 (2013) University of Massachusetts Medical School 2D 3D TSV
23587422 1 Recent advances in malaria drug discovery.EBI Bioorg Med Chem Lett 23: 2829-43 (2013) Drug Discovery for Tropical Diseases 2D 3D TSV
23586812 38 Development of a selective peptide macrocycle inhibitor of coagulation factor XII toward the generation of a safe antithrombotic therapy.EBI J Med Chem 56: 3742-6 (2013) Ecole Polytechnique F�d�rale de Lausanne EPFL 2D 3D TSV
23586711 4 Pyridine-substituted desoxyritonavir is a more potent inhibitor of cytochrome P450 3A4 than ritonavir.EBI J Med Chem 56: 3733-41 (2013) University of California 2D 3D TSV
23586645 48 Thiophene-core estrogen receptor ligands having superagonist activity.EBI J Med Chem 56: 3346-66 (2013) Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University) 2D 3D TSV
23585918 16 Tuned-Affinity Bivalent Ligands for the Characterization of Opioid Receptor Heteromers.EBI ACS Med Chem Lett 3: 640-644 (2012) TBA 2D 3D TSV
23584544 12 Antibacterial oxazolidinone analogues having a N-hydroxyacetyl-substituted seven-membered [1,2,5]triazepane or [1,2,5]oxadiazepane C-ring unit.EBI Eur J Med Chem 63: 811-25 (2013) Research Foundation Itsuu Laboratory 2D 3D TSV
23583910 24 Aminopropylindenes derived from Grundmann's ketone as a novel chemotype of oxidosqualene cyclase inhibitors.EBI Eur J Med Chem 63: 758-64 (2013) Ludwig-Maximilians-Universit£t M£nchen 2D 3D TSV
23583510 17 Novel racemic tetrahydrocurcuminoid dihydropyrimidinone analogues as potent acetylcholinesterase inhibitors.EBI Bioorg Med Chem Lett 23: 2880-2 (2013) Ramkhamhaeng University 2D 3D TSV
23582779 43 Discovery of novel orally bioavailable GPR40 agonists.EBI Bioorg Med Chem Lett 23: 2920-4 (2013) Shanghai Hengrui Pharmaceutical Co. Ltd 2D 3D TSV
23582449 20 Synthesis and biological evaluation of 2-(5-methyl-4-phenyl-2-oxopyrrolidin-1-yl)-acetamide stereoisomers as novel positive allosteric modulators of sigma-1 receptor.EBI Bioorg Med Chem 21: 2764-71 (2013) Institute of Organic Synthesis 2D 3D TSV
23582275 27 Design and synthesis of 2-N-substituted indazolone derivatives as non-carboxylic acid glycogen synthase activators.EBI Bioorg Med Chem Lett 23: 2936-40 (2013) Hoffmann-La Roche Inc. 2D 3D TSV
23582273 12 Synthesis and antitumor activity of 1,3,4-oxadiazole possessing 1,4-benzodioxan moiety as a novel class of potent methionine aminopeptidase type II inhibitors.EBI Bioorg Med Chem Lett 23: 2876-9 (2013) Nanjing University 2D 3D TSV
23581848 8 Design and synthesis of a tetrahydroisoquinoline-based hydroxamate derivative (ZYJ-34v), an oral active histone deacetylase inhibitor with potent antitumor activity.BDB Chem Biol Drug Des 82: 125-30 (2013) Shandong University 2D 3D TSV
23581745 10 Synthesis, evaluation and molecular docking of prolyl-fluoropyrrolidine derivatives as dipeptidyl peptidase IV inhibitors.BDB Chem Biol Drug Des 82: 156-66 (2013) Delhi Institute of Pharmaceutical Sciences and Research 2D 3D TSV
23581708 15 In vitro evaluation of selected benzimidazole derivatives as an antioxidant and xanthine oxidase inhibitors.BDB Chem Biol Drug Des 82: 290-5 (2013) Konkuk University 2D 3D TSV
23581551 75 Design, synthesis, and structure-activity relationship studies of novel 3-alkylindole derivatives as selective and highly potent myeloperoxidase inhibitors.EBI J Med Chem 56: 3943-58 (2013) Universit£ Libre de Bruxelles 2D 3D TSV
23581530 8 5-Oxo-ETE receptor antagonists.EBI J Med Chem 56: 3725-32 (2013) Florida Institute of Technology 2D 3D TSV
23581491 3 New multifunctional Di-tert-butylphenoloctahydro(pyrido/benz)oxazine derivatives with antioxidant, antihyperlipidemic, and antidiabetic action.EBI J Med Chem 56: 3330-8 (2013) University of Athens 2D 3D TSV
23578312 22 Design, synthesis and evaluation of 2-phenylisothiazolidin-3-one-1,1-dioxides as a new class of human protein kinase CK2 inhibitors.BDB J Enzyme Inhib Med Chem 29: 338-43 (2014) NAS of Ukraine 2D 3D TSV
23575276 15 Triazole derivatives: a series of Darapladib analogues as orally active Lp-PLA2 inhibitors.EBI Bioorg Med Chem Lett 23: 2897-901 (2013) Chinese Academy of Sciences 2D 3D TSV
23574807 12 Synthesis, antidepressant evaluation and docking studies of long-chain alkylnitroquipazines as serotonin transporter inhibitors.BDB Chem Biol Drug Des 81: 695-706 (2013) University of Troms£ 2D 3D TSV
23574308 14 Water-mediated interactions influence the binding of thapsigargin to sarco/endoplasmic reticulum calcium adenosinetriphosphatase.EBI J Med Chem 56: 3609-19 (2013) University of Copenhagen 2D 3D TSV
23574272 30 Screening and structural analysis of flavones inhibiting tankyrases.EBI J Med Chem 56: 3507-17 (2013) University of Oulu 2D 3D TSV
23571415 267 Structure-based identification of OATP1B1/3 inhibitors.EBI Mol Pharmacol 83: 1257-67 (2013) KU Leuven 2D 3D TSV
23570792 61 SAR and evaluation of novel 5H-benzo[c][1,8]naphthyridin-6-one analogs as Aurora kinase inhibitors.EBI Bioorg Med Chem Lett 23: 3081-7 (2013) EMD Serono Research Institute, Inc. 2D 3D TSV
23570791 2 Design and synthesis of thiophene dihydroisoquinolines as novel BACE1 inhibitors.EBI Bioorg Med Chem Lett 23: 3075-80 (2013) Elan Pharmaceuticals 2D 3D TSV
23570788 23 A facile chemo-, regio- and stereoselective synthesis and cholinesterase inhibitory activity of spirooxindole-pyrrolizine-piperidine hybrids.EBI Bioorg Med Chem Lett 23: 2979-83 (2013) Universiti Sains Malaysia 2D 3D TSV
23570561 80 Synthesis and biological evaluation of urea derivatives as highly potent and selective rho kinase inhibitors.EBI J Med Chem 56: 3568-81 (2013) The Scripps Research Institute 2D 3D TSV
23570542 48 Design and synthesis of dual-action inhibitors targeting histone deacetylases and 3-hydroxy-3-methylglutaryl coenzyme A reductase for cancer treatment.EBI J Med Chem 56: 3645-55 (2013) National Taiwan University 2D 3D TSV
23570514 120 Discovery of thieno[3,2-d]pyrimidine-6-carboxamides as potent inhibitors of SIRT1, SIRT2, and SIRT3.EBI J Med Chem 56: 3666-79 (2013) Sirtris a GSK Company 2D 3D TSV
23566764 7 Direct targeting of▀-catenin: Inhibition of protein-protein interactions for the inactivation of Wnt signaling.EBI Bioorg Med Chem 21: 4020-6 (2013) Chemical Genomics Centre of the Max Planck Society 2D 3D TSV
23566514 2 Discovery and synthesis of novel 4-aminopyrrolopyrimidine Tie-2 kinase inhibitors for the treatment of solid tumors.EBI Bioorg Med Chem Lett 23: 3059-63 (2013) Pfizer Inc. 2D 3D TSV
23566315 3 Targeting mutant KRAS for anticancer therapeutics: a review of novel small molecule modulators.EBI J Med Chem 56: 5219-30 (2014) The University of Arizona 2D 3D TSV
23566269 90 4-Hydroxypyridazin-3(2H)-one derivatives as novel D-amino acid oxidase inhibitors.EBI J Med Chem 56: 3582-92 (2013) Astellas Pharma Inc. 2D 3D TSV
23566245 15 Synthesis and evaluation of novel (18)F-labeled spirocyclic piperidine derivatives ass1 receptor ligands for positron emission tomography imaging.EBI J Med Chem 56: 3478-91 (2013) Key Laboratory of Radiopharmaceuticals Beijing Normal University 2D 3D TSV
23562594 33 Discovery of novel Jak2-Stat pathway inhibitors with extended residence time on target.EBI Bioorg Med Chem Lett 23: 3105-10 (2013) AstraZeneca 2D 3D TSV
23562063 32 The design and synthesis of a potent glucagon receptor antagonist with favorable physicochemical and pharmacokinetic properties as a candidate for the treatment of type 2 diabetes mellitus.EBI Bioorg Med Chem Lett 23: 3051-8 (2013) Pfizer Inc. 2D 3D TSV
23562062 4 Arylsulfonamide pyrimidines as VLA-4 antagonists.EBI Bioorg Med Chem Lett 23: 3070-4 (2013) Elan Pharmaceuticals, Inc. 2D 3D TSV
23562060 9 Discovery of ML326: The first sub-micromolar, selective M5 PAM.EBI Bioorg Med Chem Lett 23: 2996-3000 (2013) Vanderbilt University Medical Center 2D 3D TSV
23562059 6 Design, synthesis and evaluation of some new 4-aminopyridine derivatives in learning and memory.EBI Bioorg Med Chem Lett 23: 2984-9 (2013) Banaras Hindu University 2D 3D TSV
23561269 53 Neonicotinic analogues: selective antagonists fora4▀2 nicotinic acetylcholine receptors.EBI Bioorg Med Chem 21: 2687-94 (2013) University of Chile 2D 3D TSV
23560650 46 Synthesis and biological evaluation of a new series of hexahydro-2H-pyrano[3,2-c]quinolines as novel selectives1 receptor ligands.EBI J Med Chem 56: 3656-65 (2013) Esteve 2D 3D TSV
23558237 17 A novel series of histamine H4 receptor antagonists based on the pyrido[3,2-d]pyrimidine scaffold: comparison of hERG binding and target residence time with PF-3893787.EBI Bioorg Med Chem Lett 23: 2663-70 (2013) Griffin Discoveries BV 2D 3D TSV
23550937 72 Monocarbonyl curcumin analogues: heterocyclic pleiotropic kinase inhibitors that mediate anticancer properties.EBI J Med Chem 56: 3456-66 (2013) Emory University 2D 3D TSV
23548908 1 Inhibition of isoleucyl-tRNA synthetase as a potential treatment for human African Trypanosomiasis.BDB J Biol Chem 288: 14256-63 (2013) University of Washington 2D 3D TSV
23548164 1 Neoclerodanes as atypical opioid receptor ligands.EBI J Med Chem 56: 3435-43 (2013) University of Kansas 2D 3D TSV
23547776 25 Development of an ALK2-Biased BMP Type I Receptor Kinase Inhibitor.BDB ACS Chem Biol 8: 1291-302 (2013) Massachusetts Institute of Technology 2D 3D TSV
23547775 33 Structural basis for inhibition of the fat mass and obesity associated protein (FTO).EBI J Med Chem 56: 3680-8 (2013) University of Oxford 2D 3D TSV
23547757 42 Potent proteasome inhibitors derived from the unnatural cis-cyclopropane isomer of Belactosin A: synthesis, biological activity, and mode of action.EBI J Med Chem 56: 3689-700 (2013) Hokkaido University 2D 3D TSV
23547706 2 Oxadiazole-isopropylamides as potent and noncovalent proteasome inhibitors.EBI J Med Chem 56: 3783-805 (2013) Moffitt Cancer Center 2D 3D TSV
23547652 27 3-Hydroxypyridin-2-thione as novel zinc binding group for selective histone deacetylase inhibition.EBI J Med Chem 56: 3492-506 (2013) Georgia Institute of Technology 2D 3D TSV
23547584 19 Biological active analogues of the opioid peptide biphalin: mixeda/ß(3)-peptides.EBI J Med Chem 56: 3419-23 (2013) Universit£ di Chieti-Pescara"G. d'Annunzio" 2D 3D TSV
23545138 4 (3R,4S,5R,6R,7S)-3,4,5,7-Tetrahydroxyconidine, an azetidine analogue of 6,7-diepicastanospermine and a conformationally constrained d-deoxyaltronojirimycin, from l-arabinose.EBI Bioorg Med Chem 21: 4813-9 (2013) University of Oxford 2D 3D TSV
23545109 30 Virtual medicinal chemistry: in silico pre-docking functional group transformation for discovery of novel inhibitors of botulinum toxin serotype A light chain.EBI Bioorg Med Chem Lett 23: 2505-11 (2013) PanThera Biopharma, LLC 2D 3D TSV
23545108 12 Discovery of a novel series of non-nucleoside thumb pocket 2 HCV NS5B polymerase inhibitors.EBI Bioorg Med Chem Lett 23: 2585-9 (2013) Boehringer Ingelheim (Canada) Ltd 2D 3D TSV
23544424 4 Hepatitis C replication inhibitors that target the viral NS4B protein.EBI J Med Chem 57: 2107-20 (2014) GlaxoSmithKline Research and Development 2D 3D TSV
23542166 1 Structure-activity relationship of 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole analogues as 5-HT(6) receptor agonists.EBI Eur J Med Chem 63: 578-88 (2013) NeuroSearch Sweden AB 2D 3D TSV
23541836 24 Design, synthesis and evaluation of tacrine-flurbiprofen-nitrate trihybrids as novel anti-Alzheimer's disease agents.EBI Bioorg Med Chem 21: 2462-70 (2013) China Pharmaceutical University 2D 3D TSV
23541835 46 Discovery of aryl-biphenyl-2-ylmethylpiperazines as novel scaffolds for 5-HT(7) ligands and role of the aromatic substituents in binding to the target receptor.EBI Bioorg Med Chem 21: 2568-76 (2013) Institute of Science and Technology 2D 3D TSV
23541833 3 Synthesis of (S)-FTY720 vinylphosphonate analogues and evaluation of their potential as sphingosine kinase 1 inhibitors and activators.EBI Bioorg Med Chem 21: 2503-10 (2013) The City University of New York 2D 3D TSV
23541670 63 Discovery of a series of novel 5H-pyrrolo[2,3-b]pyrazine-2-phenyl ethers, as potent JAK3 kinase inhibitors.EBI Bioorg Med Chem Lett 23: 2522-6 (2013) Hoffmann-La Roche Inc. 2D 3D TSV
23541669 92 Identification and design of a novel series of MGAT2 inhibitors.EBI Bioorg Med Chem Lett 23: 2721-6 (2013) AstraZeneca 2D 3D TSV
23541651 8 Inhibitors of the p53/hdm2 protein-protein interaction-path to the clinic.EBI Bioorg Med Chem Lett 23: 2480-5 (2013) Sanofi 2D 3D TSV
23540955 24 Synthesis and SAR study of new thiazole derivatives as vascular adhesion protein-1 (VAP-1) inhibitors for the treatment of diabetic macular edema: part 2.EBI Bioorg Med Chem 21: 2478-94 (2013) Astellas Pharma Inc. 2D 3D TSV
23540790 57 Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome.EBI J Med Chem 56: 3367-78 (2013) University Paris 6 2D 3D TSV
23540678 26 Chemistry and pharmacological studies of 3-alkoxy-2,5-disubstituted-pyridinyl compounds as novel selectivea4ß2 nicotinic acetylcholine receptor ligands that reduce alcohol intake in rats.EBI J Med Chem 56: 3000-11 (2013) Georgetown University Medical Center 2D 3D TSV
23540648 103 Strategic use of conformational bias and structure based design to identify potent JAK3 inhibitors with improved selectivity against the JAK family and the kinome.EBI Bioorg Med Chem Lett 23: 2793-800 (2013) Hoffmann-La Roche 2D 3D TSV
23540645 140 Discovery of thiazolobenzoxepin PI3-kinase inhibitors that spare the PI3-kinase▀ isoform.EBI Bioorg Med Chem Lett 23: 2606-13 (2013) Genentech, Inc. 2D 3D TSV
23538233 16 Design, synthesis and biological activities of Nilotinib derivates as antitumor agents.EBI Bioorg Med Chem 21: 2527-34 (2013) Xi'an Jiaotong University 2D 3D TSV
23537943 4 Novel pyrimidoazepine analogs as serotonin 5-HT(2A) and 5-HT(2C) receptor ligands for the treatment of obesity.EBI Eur J Med Chem 63: 558-69 (2013) Korea Institute of Science and Technology 2D 3D TSV
23537249 165 Spirocyclicß-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloidß in a higher species.EBI J Med Chem 56: 3379-403 (2013) Array BioPharma 2D 3D TSV
23535563 64 Investigation of the role of linker moieties in bifunctional tacrine hybrids.EBI Bioorg Med Chem 21: 3614-23 (2013) University of Michigan 2D 3D TSV
23535330 83 Structure-based design and optimization of 2-aminothiazole-4-carboxamide as a new class of CHK1 inhibitors.EBI Bioorg Med Chem Lett 23: 2590-4 (2013) Merck Research Laboratories 2D 3D TSV
23535327 44 Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 2.EBI Bioorg Med Chem Lett 23: 2659-62 (2013) Kitasato University 2D 3D TSV
23535326 10 Novel and highly potent histamine H3 receptor ligands. Part 3: an alcohol function to improve the pharmacokinetic profile.EBI Bioorg Med Chem Lett 23: 2548-54 (2013) Bioprojet-Biotech 2D 3D TSV
23534930 10 Antileishmanial activity evaluation of bis-lawsone analogs and DNA topoisomerase-I inhibition studies.BDB J Enzyme Inhib Med Chem 29: 185-9 (2014) Karunya University 2D 3D TSV
23534475 27 De novo design of protein kinase inhibitors by in silico identification of hinge region-binding fragments.BDB ACS Chem Biol 8: 1044-52 (2013) University of Dundee 2D 3D TSV
23534442 32 Novel analgesic/anti-inflammatory agents: 1,5-diarylpyrrole nitrooxyalkyl ethers and related compounds as cyclooxygenase-2 inhibiting nitric oxide donors.EBI J Med Chem 56: 3191-206 (2013) Universit£ degli Studi di Siena 2D 3D TSV
23531458 6 Synthesis and biological evaluation of oleanolic acid derivatives as PTP1B inhibitors.EBI Eur J Med Chem 63: 511-22 (2013) Northwest University 2D 3D TSV
23530754 25 Fragment-based drug discovery of 2-thiazolidinones as inhibitors of the histone reader BRD4 bromodomain.EBI J Med Chem 56: 3833-51 (2013) Chinese Academy of Sciences 2D 3D TSV
23530623 65 Identification of selective inhibitors for human neuraminidase isoenzymes using C4,C7-modified 2-deoxy-2,3-didehydro-N-acetylneuraminic acid (DANA) analogues.EBI J Med Chem 56: 2948-58 (2013) University of Alberta 2D 3D TSV
23528300 48 Design and synthesis of 2-substituted benzoxazoles as novel PTP1B inhibitors.EBI Bioorg Med Chem Lett 23: 2579-84 (2013) Aurigene Discovery Technologies Limited 2D 3D TSV
23528299 4 Discovery of a synthetic Aminopeptidase N inhibitor LB-4b as a potential anticancer agent.EBI Bioorg Med Chem Lett 23: 2512-7 (2013) Shandong University 2D 3D TSV
23528297 6 A thiocarbamate inhibitor of endothelial lipase raises HDL cholesterol levels in mice.EBI Bioorg Med Chem Lett 23: 2595-7 (2013) Janssen Research and Development, LLC 2D 3D TSV
23528296 65 Arylpiperazines as fatty acid transport protein 1 (FATP1) inhibitors with improved potency and pharmacokinetic properties.EBI Bioorg Med Chem Lett 23: 2560-5 (2013) Daiichi Sankyo Co., Ltd 2D 3D TSV
23527816 7 SAR based design of nicotinamides as a novel class of androgen receptor antagonists for prostate cancer.EBI J Med Chem 56: 3414-8 (2013) Chonnam National University 2D 3D TSV
23527738 82 Discovery of highly potent microsomal prostaglandin e2 synthase 1 inhibitors using the active conformation structural model and virtual screen.EBI J Med Chem 56: 3296-309 (2013) Peking University 2D 3D TSV
23524160 4 Synthesis and biological evaluation of novel pyrrolidine-2,5-dione derivatives as potential antidepressant agents. Part 1.EBI Eur J Med Chem 63: 484-500 (2013) Medical University of Warsaw 2D 3D TSV
23523388 27 Design and synthesis of novel chromenone derivatives as interleukin-5 inhibitors.EBI Bioorg Med Chem 21: 2543-50 (2013) Chungnam National University 2D 3D TSV
23522835 7 In silico identification of poly(ADP-ribose)polymerase-1 inhibitors and their chemosensitizing effects against cisplatin-resistant human gastric cancer cells.EBI Bioorg Med Chem Lett 23: 2642-6 (2013) Sungkyunkwan [corrected] University 2D 3D TSV
23522834 72 Design and synthesis of highly selective, orally active Polo-like kinase-2 (Plk-2) inhibitors.EBI Bioorg Med Chem Lett 23: 2743-9 (2013) Elan Pharmaceuticals 2D 3D TSV
23521768 3 Aminophenoxazinones as inhibitors of indoleamine 2,3-dioxygenase (IDO). Synthesis of exfoliazone and chandrananimycin A.EBI J Med Chem 56: 3310-7 (2013) University of Nottingham 2D 3D TSV
23521080 6 Potent fibrinolysis inhibitor discovered by shape and electrostatic complementarity to the drug tranexamic acid.EBI J Med Chem 56: 3273-80 (2013) AstraZeneca 2D 3D TSV
23521048 14 Synthesis and structure-activity relationships of 5,6,7-substituted pyrazolopyrimidines: discovery of a novel TSPO PET ligand for cancer imaging.EBI J Med Chem 56: 3429-33 (2013) Vanderbilt University Institute of Imaging Science (VUIIS) 2D 3D TSV
23521020 116 Discovery and optimization of 3-(2-(Pyrazolo[1,5-a]pyrimidin-6-yl)ethynyl)benzamides as novel selective and orally bioavailable discoidin domain receptor 1 (DDR1) inhibitors.EBI J Med Chem 56: 3281-95 (2013) Chinese Academy of Sciences 2D 3D TSV
23518277 2 Design and synthesis of 1-aryl-5-anilinoindazoles as c-Jun N-terminal kinase inhibitors.EBI Bioorg Med Chem Lett 23: 2683-7 (2013) The Scripps Research Institute 2D 3D TSV
23517069 1 Therapeutic agents triggering nonapoptotic cancer cell death.EBI J Med Chem 56: 4823-39 (2013) Texas State University-San Marcos 2D 3D TSV
23517028 2 Biophysical fragment screening of theß1-adrenergic receptor: identification of high affinity arylpiperazine leads using structure-based drug design.EBI J Med Chem 56: 3446-55 (2013) Heptares Therapeutics Ltd. 2D 3D TSV
23517011 29 Optimization of 3,5-dimethylisoxazole derivatives as potent bromodomain ligands.EBI J Med Chem 56: 3217-27 (2013) University of Oxford 2D 3D TSV
23516963 99 Substituted 7-amino-5-thio-thiazolo[4,5-d]pyrimidines as potent and selective antagonists of the fractalkine receptor (CX3CR1).EBI J Med Chem 56: 3177-90 (2013) AstraZeneca 2D 3D TSV
23514631 19 Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt).EBI Eur J Med Chem 63: 378-86 (2013) National University of Singapore 2D 3D TSV
23511020 22 Carbonic anhydrase inhibitors: inhibition of the▀-class enzyme from the pathogenic yeast Candida glabrata with sulfonamides, sulfamates and sulfamides.EBI Bioorg Med Chem Lett 23: 2647-52 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
23511019 60 Design, synthesis and evaluation of flavonoid derivatives as potential multifunctional acetylcholinesterase inhibitors against Alzheimer's disease.EBI Bioorg Med Chem Lett 23: 2636-41 (2013) China Pharmaceutical University 2D 3D TSV
23510563 9 Synthesis and structure-activity relationships of carboxylic acid derivatives of pyridoxal as P2X receptor antagonists.EBI Bioorg Med Chem 21: 2643-50 (2013) Gwangju Institute of Science and Technology 2D 3D TSV
23510562 30 Novel indoline-2,3-dione derivatives as inhibitors of aminopeptidase N (APN).EBI Bioorg Med Chem 21: 2663-70 (2013) Shandong University 2D 3D TSV
23509991 23 Development of a plate-based optical biosensor fragment screening methodology to identify phosphodiesterase 10A inhibitors.EBI J Med Chem 56: 3228-34 (2013) AstraZeneca 2D 3D TSV
23507153 4 Radiosynthesis and first evaluation in mice of [(18)F]NS14490 for molecular imaging ofa7 nicotinic acetylcholine receptors.EBI Bioorg Med Chem 21: 2635-42 (2013) Helmholtz-Zentrum Dresden-Rossendorf 2D 3D TSV
23507151 118 Pyridinylpyrimidines selectively inhibit human methionine aminopeptidase-1.EBI Bioorg Med Chem 21: 2600-17 (2013) Chinese Academy of Sciences 2D 3D TSV
23506825 71 Structure-based design, SAR analysis and antitumor activity of PI3K/mTOR dual inhibitors from 4-methylpyridopyrimidinone series.EBI Bioorg Med Chem Lett 23: 2787-92 (2013) Pfizer Inc. 2D 3D TSV
23501116 118 Natural sesquiterpene lactones as inhibitors of Myb-dependent gene expression: structure-activity relationships.EBI Eur J Med Chem 63: 313-20 (2013) University of M£nster 2D 3D TSV
23501115 62 Synthesis and evaluation of 7,8-dehydrorutaecarpine derivatives as potential multifunctional agents for the treatment of Alzheimer's disease.EBI Eur J Med Chem 63: 299-312 (2013) Sun Yat-sen University 2D 3D TSV
23501112 160 Novel IKK▀ inhibitors discovery based on the co-crystal structure by using binding-conformation-based and ligand-based method.EBI Eur J Med Chem 63: 269-78 (2013) China Pharmaceutical University 2D 3D TSV
23499504 31 New potent calcimimetics: II. Discovery of benzothiazole trisubstituted ureas.EBI Bioorg Med Chem Lett 23: 2455-9 (2013) Galapagos SASU 2D 3D TSV
23499503 9 Identification of pyrrolo[2,3-g]indazoles as new Pim kinase inhibitors.EBI Bioorg Med Chem Lett 23: 2298-301 (2013) Clermont Universit£ 2D 3D TSV
23499238 15 Design, synthesis and insulin-sensitising effects of novel PTP1B inhibitors.EBI Bioorg Med Chem Lett 23: 2313-8 (2013) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
23498919 7 Development of cyclic peptomer inhibitors targeting the polo-box domain of polo-like kinase 1.EBI Bioorg Med Chem 21: 2623-34 (2013) Korea Basic Science Institute 2D 3D TSV
23498918 41 Discovery of N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-methylphenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide (TAK-593), a highly potent VEGFR2 kinase inhibitor.EBI Bioorg Med Chem 21: 2333-45 (2013) Takeda Pharmaceutical Company Limited 2D 3D TSV
23498916 4 VBP15: preclinical characterization of a novel anti-inflammatory delta 9,11 steroid.EBI Bioorg Med Chem 21: 2241-9 (2013) ReveraGen BioPharma, Inc. 2D 3D TSV
23498915 47 Design, synthesis and anti-tuberculosis activity of 1-adamantyl-3-heteroaryl ureas with improved in vitro pharmacokinetic properties.EBI Bioorg Med Chem 21: 2587-99 (2013) St. Jude Children's Research Hospital 2D 3D TSV
23498914 32 Syntheses and biological evaluation of 1-heteroaryl-2-aryl-1H-benzimidazole derivatives as c-Jun N-terminal kinase inhibitors with neuroprotective effects.EBI Bioorg Med Chem 21: 2271-85 (2013) Hanyang University 2D 3D TSV
23496828 7 Novel Inhibitor Binding Site Discovery on HIV-1 Capsid N-Terminal Domain by NMR and X-ray Crystallography.BDB ACS Chem Biol 8: 1074-82 (2013) Boehringer Ingelheim (Canada) Ltd 2D 3D TSV
23490159 13 Novel 1,3,4-oxadiazole thioether derivatives targeting thymidylate synthase as dual anticancer/antimicrobial agents.EBI Bioorg Med Chem 21: 2286-97 (2013) Nanjing University 2D 3D TSV
23490154 2 Synthesis of novel cognition enhancers with pyrazolo[5,1-c][1,2,4]benzotriazine core acting at¿-aminobutyric acid type A (GABA(A)) receptor.EBI Bioorg Med Chem 21: 2186-98 (2013) Sintesi e Studio di Eterocicli Biologicamente attivi (HeteroBioLab) Universit£ degli Studi di Firenze 2D 3D TSV
23490152 15 Structural effect of phenyl ring compared to thiadiazole based adamantyl-sulfonamides on carbonic anhydrase inhibition.EBI Bioorg Med Chem 21: 2314-8 (2013) University of Florida 2D 3D TSV
23490150 48 Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors.EBI Bioorg Med Chem 21: 2250-61 (2013) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
23489630 8 Synthesis and biological activity of 4-substituted benzoxazolone derivatives as a new class of sEH inhibitors with high anti-inflammatory activity in vivo.EBI Bioorg Med Chem Lett 23: 2380-3 (2013) Shanxi Medical University 2D 3D TSV
23489629 19 N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11▀-hydroxysteroid dehydrogenase type 1: strategies to eliminate reactive metabolites.EBI Bioorg Med Chem Lett 23: 2344-8 (2013) Pfizer Inc. 2D 3D TSV
23489619 1 Disulfide linked pyrazole derivatives inhibit phagocytosis of opsonized blood cells.EBI Bioorg Med Chem Lett 23: 2324-7 (2013) Toronto General Research Institute 2D 3D TSV
23489211 44 Amino acid conjugates of lithocholic acid as antagonists of the EphA2 receptor.EBI J Med Chem 56: 2936-47 (2013) Universit£ degli Studi di Parma 2D 3D TSV
23488743 30 Synthesis and dual D2 and 5-HT1A receptor binding affinities of 5-piperidinyl and 5-piperazinyl-1H-benzo[d]imidazol-2(3H)-ones.BDB J Enzyme Inhib Med Chem 29: 281-91 (2014) King Fahd University of Petroleum & Minerals 2D 3D TSV
23488741 20 Novel coumarins and benzocoumarins acting as isoform-selective inhibitors against the tumor-associated carbonic anhydrase IX.BDB J Enzyme Inhib Med Chem 29: 292-6 (2014) S.G.S.I.T.S 2D 3D TSV
23488740 12 Novel inhibitor of bacterial sphingomyelinase, SMY-540, developed based on three-dimensional structure analysis.BDB J Enzyme Inhib Med Chem 29: 303-10 (2014) Tokushima Bunri University 2D 3D TSV
23484537 2 Paclitaxel is an inhibitor and its boron dipyrromethene derivative is a fluorescent recognition agent for botulinum neurotoxin subtype A.EBI J Med Chem 56: 2791-803 (2013) Lakehead University and Thunder Bay Regional Research Institute 2D 3D TSV
23484434 11 Progress and developments in tau aggregation inhibitors for Alzheimer disease.EBI J Med Chem 56: 4135-55 (2013) Humboldt-Universit£t zu Berlin 2D 3D TSV
23481650 78 N-substituted azaindoles as potent inhibitors of Cdc7 kinase.EBI Bioorg Med Chem Lett 23: 2056-60 (2013) Amgen Inc. 2D 3D TSV
23481647 9 Design, synthesis and biological evaluation of novel imidazo[4,5-c]pyridinecarboxamide derivatives as PARP-1 inhibitors.EBI Bioorg Med Chem Lett 23: 1993-6 (2013) China Pharmaceutical University 2D 3D TSV
23480856 22 Phenylimino-2H-chromen-3-carboxamide derivatives as novel small molecule inhibitors ofß-secretase (BACE1).EBI Bioorg Med Chem 21: 2396-412 (2013) Tehran University of Medical Sciences 2D 3D TSV
23480235 20 N-[9-(ortho-fluorobenzyl)-2-phenyl-8-azapurin-6-yl]-amides as potent and selective ligands for A1 adenosine receptors.BDB Chem Biol Drug Des 82: 22-38 (2013) Universit£ di Pisa 2D 3D TSV
23478148 10 Discovery and gram-scale synthesis of BMS-593214, a potent, selective FVIIa inhibitor.EBI Bioorg Med Chem Lett 23: 2432-5 (2013) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
23478147 42 Discovery of SAR184841, a potent and long-lasting inhibitor of 11▀-hydroxysteroid dehydrogenase type 1, active in a physiopathological animal model of T2D.EBI Bioorg Med Chem Lett 23: 2414-21 (2013) Sanofi R&D 2D 3D TSV
23477945 3 Discovery of thienopyrimidine-based inhibitors of the human farnesyl pyrophosphate synthase--parallel synthesis of analogs via a trimethylsilyl ylidene intermediate.EBI Bioorg Med Chem 21: 2229-40 (2013) McGill University 2D 3D TSV
23477943 51 Discovery of disubstituted piperidines and homopiperidines as potent dual NK1 receptor antagonists-serotonin reuptake transporter inhibitors for the treatment of depression.EBI Bioorg Med Chem 21: 2217-28 (2013) Bristol-Myers Squibb Company 2D 3D TSV
23477941 1 Synthesis and evaluation of an imidazole derivative-fluorescein conjugate.EBI Bioorg Med Chem 21: 2418-25 (2013) The University of Texas Health Science Center at Houston 2D 3D TSV
23477419 64 Design, synthesis, and pharmacological characterization of novel endomorphin-1 analogues as extremely potentµ-opioid agonists.EBI J Med Chem 56: 3102-14 (2013) Lanzhou University 2D 3D TSV
23477365 63 The development of highly potent inhibitors for porcupine.EBI J Med Chem 56: 2700-4 (2013) The University of Texas Southwestern Medical Center 2D 3D TSV
23474898 161 Biaryl tetrazolyl ureas as inhibitors of endocannabinoid metabolism: modulation at the N-portion and distal phenyl ring.EBI Eur J Med Chem 63: 118-32 (2013) Sapienza Universit£ di Roma 2D 3D TSV
23474389 2 Synthesis and evaluation of 3-(benzylthio)-5-(1H-indol-3-yl)-1,2,4-triazol-4-amines as Bcl-2 inhibitory anticancer agents.EBI Bioorg Med Chem Lett 23: 2391-4 (2013) Cardiff University 2D 3D TSV
23474386 26 Novel 5-(benzyloxy)pyridin-2(1H)-one derivatives as potent c-Met inhibitors.EBI Bioorg Med Chem Lett 23: 2408-13 (2013) Chinese Academy of Sciences 2D 3D TSV
23474215 12 26- and 27-Methyl groups of 2-substituted, 19-nor-1a,25-dihydroxylated vitamin D compounds are essential for calcium mobilization in vivo.BDB Bioorg Chem 47: 9-16 (2013) University of Wisconsin-Madison 2D 3D TSV
23473947 28 Synthesis, cyclooxygenase inhibitory effects, and molecular modeling study of 4-aryl-5-(4-(methylsulfonyl)phenyl)-2-alkylthio and -2-alkylsulfonyl-1H-imidazole derivatives.EBI Bioorg Med Chem 21: 2355-62 (2013) Tehran University of Medical Sciences 2D 3D TSV
23473945 77 Structure-activity relationship study of tachykinin peptides for the development of novel neurokinin-3 receptor selective agonists.EBI Bioorg Med Chem 21: 2413-7 (2013) Kyoto University 2D 3D TSV
23473682 69 BCR-ABL tyrosine kinase inhibitor pharmacophore model derived from a series of phenylaminopyrimidine-based (PAP) derivatives.EBI Bioorg Med Chem Lett 23: 2442-50 (2013) The First People's Hospital of Hangzhou 2D 3D TSV
23473363 12 Structural basis and SAR for G007-LK, a lead stage 1,2,4-triazole based specific tankyrase 1/2 inhibitor.EBI J Med Chem 56: 3012-23 (2013) Oslo University Hospital 2D 3D TSV
23473309 45 Strategies to reduce HERG K+ channel blockade. Exploring heteroaromaticity and rigidity in novel pyridine analogues of dofetilide.EBI J Med Chem 56: 2828-40 (2013) Leiden University 2D 3D TSV
23473235 21 Pyrimidoaminotropanes as potent, selective, and efficacious small molecule kinase inhibitors of the mammalian target of rapamycin (mTOR).EBI J Med Chem 56: 3090-101 (2013) Genentech 2D 3D TSV
23473053 35 Design, synthesis, and biological evaluation of a series of benzo[de][1,7]naphthyridin-7(8H)-ones bearing a functionalized longer chain appendage as novel PARP1 inhibitors.EBI J Med Chem 56: 2885-903 (2013) Chinese Academy of Sciences 2D 3D TSV
23472952 35 Discovery of (R)-2-amino-6-borono-2-(2-(piperidin-1-yl)ethyl)hexanoic acid and congeners as highly potent inhibitors of human arginases I and II for treatment of myocardial reperfusion injury.EBI J Med Chem 56: 2568-80 (2013) Institutes for Pharmaceutical Discovery , LLC 2D 3D TSV
23472886 21 Design, synthesis, and biological evaluation of indenoisoquinoline rexinoids with chemopreventive potential.EBI J Med Chem 56: 2581-605 (2013) Purdue University 2D 3D TSV
23470245 11 Design and synthesis of new bifunctional sigma-1 selective ligands with antioxidant activity.EBI J Med Chem 56: 2447-55 (2013) University of Catania 2D 3D TSV
23470217 1 Optimizing small molecule inhibitors of calcium-dependent protein kinase 1 to prevent infection by Toxoplasma gondii.EBI J Med Chem 56: 3068-77 (2013) Washington University School of Medicine 2D 3D TSV
23470190 3 Development and evaluation of novel phosphotyrosine mimetic inhibitors targeting the Src homology 2 domain of signaling lymphocytic activation molecule (SLAM) associated protein.EBI J Med Chem 56: 2841-9 (2013) National Taiwan University 2D 3D TSV
23466604 36 Synthesis and structure-activity relationship studies in serotonin 5-HT(1A) receptor agonists based on fused pyrrolidone scaffolds.EBI Eur J Med Chem 63: 85-94 (2013) Universit£ degli Studi di Siena 2D 3D TSV
23466235 5 Discovery of non-peptide inhibitors of Plasmepsin II by structure-based virtual screening.EBI Bioorg Med Chem Lett 23: 2078-82 (2013) East China University of Science and Technology 2D 3D TSV
23466233 20 Synthesis and evaluation of non-dimeric HCV NS5A inhibitors.EBI Bioorg Med Chem Lett 23: 2031-4 (2013) Veterans Affairs Medical Center 2D 3D TSV
23466232 48 A new series of N2-substituted-5-(p-toluenesulfonylamino)phthalimide analogues asa-glucosidase inhibitors.EBI Bioorg Med Chem Lett 23: 2022-6 (2013) Xi'an Jiaotong University 2D 3D TSV
23466230 1 Design, synthesis and antithrombotic evaluation of novel dabigatran prodrugs containing methyl ferulate.EBI Bioorg Med Chem Lett 23: 2089-92 (2013) China Pharmaceutical University 2D 3D TSV
23466229 18 PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency.EBI Bioorg Med Chem Lett 23: 1961-6 (2013) Pfizer Inc. 2D 3D TSV
23466228 6 [11C]olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand.EBI Bioorg Med Chem Lett 23: 1953-6 (2013) Indiana University School of Medicine 2D 3D TSV
23466226 26 Evaluation of (Z)-2-((1-benzyl-1H-indol-3-yl)methylene)-quinuclidin-3-one analogues as novel, high affinity ligands for CB1 and CB2 cannabinoid receptors.EBI Bioorg Med Chem Lett 23: 2019-21 (2013) University of Arkansas for Medical Sciences 2D 3D TSV
23466225 2 Discovery of AZD3514, a small-molecule androgen receptor downregulator for treatment of advanced prostate cancer.EBI Bioorg Med Chem Lett 23: 1945-8 (2013) AstraZeneca 2D 3D TSV
23465612 17 Structure-based design of novel dihydroisoquinoline BACE-1 inhibitors that do not engage the catalytic aspartates.EBI Bioorg Med Chem Lett 23: 2181-6 (2013) Elan Pharmaceuticals 2D 3D TSV
23465611 61 New potent calcimimetics: I. Discovery of a series of novel trisubstituted ureas.EBI Bioorg Med Chem Lett 23: 2451-4 (2013) Galapagos SASU 2D 3D TSV
23465610 16 Potential CRF1R PET imaging agents: 1-fluoroalkylsubstituted 5-halo-3-(arylamino)pyrazin-2(1H)-ones.EBI Bioorg Med Chem Lett 23: 2052-5 (2013) Bristol-Myers Squibb Research and Development 2D 3D TSV
23463940 4 Synthesis and evaluation of 18F-labeled carbonic anhydrase IX inhibitors for imaging with positron emission tomography.BDB J Enzyme Inhib Med Chem 29: 249-55 (2014) BC Cancer Agency 2D 3D TSV
23462716 49 Synthesis and in vitro evaluation of new derivatives of 2-substituted-6-fluorobenzo[d]thiazoles as cholinesterase inhibitors.EBI Bioorg Med Chem 21: 1735-48 (2013) University of Pardubice 2D 3D TSV
23462715 25 Development of silicon-containing bis-phenol derivatives as androgen receptor antagonists: selectivity switching by C/Si exchange.EBI Bioorg Med Chem 21: 1643-51 (2013) The University of Tokyo 2D 3D TSV
23462714 32 Improvement ofs1 receptor affinity by late-stage C-H-bond arylation of spirocyclic lactones.EBI Bioorg Med Chem 21: 1844-56 (2013) Wilhelms-Universit£t M£nster 2D 3D TSV
23461881 12 Microwave-assisted synthesis and tyrosinase inhibitory activity of chalcone derivatives.BDB Chem Biol Drug Des 82: 39-47 (2013) Shaoyang University 2D 3D TSV
23458846 16 Target- and mechanism-based therapeutics for neurodegenerative diseases: strength in numbers.EBI J Med Chem 56: 3121-47 (2013) Northwestern University 2D 3D TSV
23458498 24 Synthesis and preliminary evaluation in tumor bearing mice of new (18)F-labeled arylsulfone matrix metalloproteinase inhibitors as tracers for positron emission tomography.EBI J Med Chem 56: 2676-89 (2013) Universit£ del Piemonte Orientale"Amedeo Avogadro" 2D 3D TSV
23455058 84 (4-Phenoxyphenyl)tetrazolecarboxamides and related compounds as dual inhibitors of fatty acid amide hydrolase (FAAH) and monoacylglycerol lipase (MAGL).EBI Eur J Med Chem 63: 64-75 (2013) University of M£nster 2D 3D TSV
23455027 5 Fungal transformation of cedryl acetate anda-glucosidase inhibition assay, quantum mechanical calculations and molecular docking studies of its metabolites.EBI Eur J Med Chem 62: 764-70 (2013) University of Karachi 2D 3D TSV
23454532 25 Nonclassical antifolates, part 3: synthesis, biological evaluation and molecular modeling study of some new 2-heteroarylthio-quinazolin-4-ones.EBI Eur J Med Chem 63: 33-45 (2013) King Saud University 2D 3D TSV
23454529 3 New quinazoline derivatives for telomeric G-quadruplex DNA: effects of an added phenyl group on quadruplex binding ability.EBI Eur J Med Chem 63: 1-13 (2013) Sun Yat-sen University 2D 3D TSV
23454517 56 A novel series of tacrine-selegiline hybrids with cholinesterase and monoamine oxidase inhibition activities for the treatment of Alzheimer's disease.EBI Eur J Med Chem 62: 745-53 (2013) Sun Yat-sen University 2D 3D TSV
23454516 92 Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.EBI Eur J Med Chem 62: 738-44 (2013) University of Auckland 2D 3D TSV
23454515 66 Chemical synthesis and biological validation of immobilized protein kinase inhibitory Leucettines.EBI Eur J Med Chem 62: 728-37 (2013) Universit£ de Rennes 1 2D 3D TSV
23454514 20 Synthesis, evaluation and absolute configuration assignment of novel dihydropyrimidin-2-ones as picomolar sodium iodide symporter inhibitors.EBI Eur J Med Chem 62: 722-7 (2013) Institut de Biologie et de Technologies de Saclay (iBiTecS) 2D 3D TSV
23454132 68 Synthesis and discovery of novel piperidone-grafted mono- and bis-spirooxindole-hexahydropyrrolizines as potent cholinesterase inhibitors.EBI Bioorg Med Chem 21: 1696-707 (2013) Universiti Sains Malaysia 2D 3D TSV
23454015 54 Triazolopyridazine LRRK2 kinase inhibitors.EBI Bioorg Med Chem Lett 23: 1967-73 (2013) Elan Pharmaceuticals 2D 3D TSV
23453843 84 Design, synthesis, and molecular modelling of pyridazinone and phthalazinone derivatives as protein kinases inhibitors.EBI Bioorg Med Chem Lett 23: 2007-13 (2013) Universit£ de Strasbourg 2D 3D TSV
23453841 58 Deconstruction of sulfonamide inhibitors of the urotensin receptor (UT) and design and synthesis of benzylamine and benzylsulfone antagonists.EBI Bioorg Med Chem Lett 23: 2177-80 (2013) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
23453840 32 2-Substituted-2-amino-6-boronohexanoic acids as arginase inhibitors.EBI Bioorg Med Chem Lett 23: 2027-30 (2013) Institutes for Pharmaceutical Discovery 2D 3D TSV
23453219 29 Novel leucine ureido derivatives as inhibitors of aminopeptidase N (APN).EBI Bioorg Med Chem 21: 1621-7 (2013) Shandong University 2D 3D TSV
23453070 42 A series of thiazole derivatives bearing thiazolidin-4-one as non-competitive ADAMTS-5 (aggrecanase-2) inhibitors.EBI Bioorg Med Chem Lett 23: 2106-10 (2013) Asahi Kasei Pharma Corporation 2D 3D TSV
23453069 7 Design, synthesis, and biological activity of diaryl ether inhibitors of Toxoplasma gondii enoyl reductase.EBI Bioorg Med Chem Lett 23: 2035-43 (2013) University of Illinois at Chicago 2D 3D TSV
23453068 25 Discovery of 4-alkylamino-7-aryl-3-cyanoquinoline LRRK2 kinase inhibitors.EBI Bioorg Med Chem Lett 23: 1974-7 (2013) Elan Pharmaceuticals 2D 3D TSV
23452331 6 On dihydroorotate dehydrogenases and their inhibitors and uses.EBI J Med Chem 56: 3148-67 (2013) Institut Pasteur 2D 3D TSV
23451760 18 Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.EBI J Med Chem 56: 3024-32 (2013) Northwestern University 2D 3D TSV
23451707 23 Discovery of allosteric modulators of factor XIa by targeting hydrophobic domains adjacent to its heparin-binding site.EBI J Med Chem 56: 2415-28 (2013) Virginia Commonwealth University 2D 3D TSV
23448346 26 Synthesis of novel estrogen receptor antagonists using metal-catalyzed coupling reactions and characterization of their biological activity.EBI J Med Chem 56: 2779-90 (2013) University of Kansas Medical Center 2D 3D TSV
23448298 58 A potent and highly efficacious Bcl-2/Bcl-xL inhibitor.EBI J Med Chem 56: 3048-67 (2013) University of Michigan 2D 3D TSV
23448281 4 Acyclic nucleoside phosphonates containing a second phosphonate group are potent inhibitors of 6-oxopurine phosphoribosyltransferases and have antimalarial activity.EBI J Med Chem 56: 2513-26 (2013) The University of Queensland 2D 3D TSV
23448267 17 Selective 3-phosphoinositide-dependent kinase 1 (PDK1) inhibitors: dissecting the function and pharmacology of PDK1.EBI J Med Chem 56: 2726-37 (2013) GlaxoSmithKline 2D 3D TSV
23445448 33 Development of dual PLD1/2 and PLD2 selective inhibitors from a common 1,3,8-Triazaspiro[4.5]decane Core: discovery of Ml298 and Ml299 that decrease invasive migration in U87-MG glioblastoma cells.EBI J Med Chem 56: 2695-9 (2013) Vanderbilt University Medical Center 2D 3D TSV
23445220 50 Exploiting an allosteric binding site of PRMT3 yields potent and selective inhibitors.EBI J Med Chem 56: 2110-24 (2013) University of North Carolina at Chapel Hill 2D 3D TSV
23442188 4 A new target for an old drug: identifying mitoxantrone as a nanomolar inhibitor of PIM1 kinase via kinome-wide selectivity modeling.EBI J Med Chem 56: 2619-29 (2013) Graduate School of Peking Union Medical College and Chinese Academy of Medical Sciences 2D 3D TSV
23441572 55 Rapid discovery of a novel series of Abl kinase inhibitors by application of an integrated microfluidic synthesis and screening platform.EBI J Med Chem 56: 3033-47 (2013) Cyclofluidic Ltd 2D 3D TSV
23438330 174 Orvinols with mixed kappa/mu opioid receptor agonist activity.EBI J Med Chem 56: 3207-16 (2013) University of Bath 2D 3D TSV
23437843 30 Discovery, biological evaluation, and structure-activity and -selectivity relationships of 6'-substituted (E)-2-(benzofuran-3(2H)-ylidene)-N-methylacetamides, a novel class of potent and selective monoamine oxidase inhibitors.EBI J Med Chem 56: 2651-64 (2013) Universit£ degli Studi di Bari"Aldo Moro" 2D 3D TSV
23437776 37 Optimization of peptide hydroxamate inhibitors of insulin-degrading enzyme reveals marked substrate-selectivity.EBI J Med Chem 56: 2246-55 (2013) Mayo Clinic 2D 3D TSV
23437772 35 Colloidal aggregation causes inhibition of G protein-coupled receptors.EBI J Med Chem 56: 2406-14 (2013) University of North Carolina Chapel Hill School of Medicine 2D 3D TSV
23434638 2 Rational design and synthesis of 4-substituted 2-pyridin-2-ylamides with inhibitory effects on SH2 domain-containing inositol 5'-phosphatase 2 (SHIP2).EBI Eur J Med Chem 62: 649-60 (2013) University of Toyama 2D 3D TSV
23434637 10 Synthesis and SAR study of modulators inhibiting tRXRa-dependent AKT activation.EBI Eur J Med Chem 62: 632-48 (2013) Xiamen University 2D 3D TSV
23434636 25 Advances in the discovery of kinesin spindle protein (Eg5) inhibitors as antitumor agents.EBI Eur J Med Chem 62: 614-31 (2013) Cairo University 2D 3D TSV
23434422 2 Euryspongins A-C, three new unique sesquiterpenes from a marine sponge Euryspongia sp.EBI Bioorg Med Chem Lett 23: 2151-4 (2013) Tohoku Pharmaceutical University 2D 3D TSV
23434419 13 Improved guanide compounds which bind the CXCR4 co-receptor and inhibit HIV-1 infection.EBI Bioorg Med Chem Lett 23: 2197-201 (2013) Montana State University 2D 3D TSV
23434414 50 Synthesis, structure-activity relationship studies, and identification of novel 5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine derivatives as dual orexin receptor antagonists. Part 1.EBI Bioorg Med Chem Lett 23: 2212-6 (2013) Actelion Pharmaceuticals Ltd 2D 3D TSV
23434226 4 Identification and characterization of small molecule inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.EBI Bioorg Med Chem Lett 23: 2225-9 (2013) Fudan University 2D 3D TSV
23434225 37 Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 9: Synthesis, characterization and molecular modeling of pyridinyl isosteres of N-BPE-8-CAC (1), a high affinity ligand for opioid receptors.EBI Bioorg Med Chem Lett 23: 2128-33 (2013) Rensselaer Polytechnic Institute 2D 3D TSV
23434223 21 A one-pot domino synthesis and discovery of highly functionalized dihydrobenzo[b]thiophenes as AChE inhibitors.EBI Bioorg Med Chem Lett 23: 2101-5 (2013) Madurai Kamaraj University 2D 3D TSV
23434140 35 Substituted indolin-2-ones as p90 ribosomal S6 protein kinase 2 (RSK2) inhibitors: Molecular docking simulation and structure-activity relationship analysis.EBI Bioorg Med Chem 21: 1724-34 (2013) East China University of Science and Technology 2D 3D TSV
23434139 47 Synthesis and biological activity of 5-chloro-N4-substituted phenyl-9H-pyrimido[4,5-b]indole-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic agents.EBI Bioorg Med Chem 21: 1857-64 (2013) Duquesne University 2D 3D TSV
23434135 27 Novel antiobesity agents: synthesis and pharmacological evaluation of analogues of Rimonabant and of LH21.EBI Bioorg Med Chem 21: 1708-16 (2013) Instituto de Qu£mica M£dica 2D 3D TSV
23434133 18 Discovery of potent dipeptidyl peptidase IV inhibitors through pharmacophore hybridization and hit-to-lead optimization.EBI Bioorg Med Chem 21: 1749-55 (2013) Chinese Academy of Science 2D 3D TSV
23434031 51 Design, synthesis and SAR of novel glucokinase activators.EBI Bioorg Med Chem Lett 23: 2166-71 (2013) Takeda California 2D 3D TSV
23434029 55 Discovery of biological evaluation of pyrazole/imidazole amides as mGlu5 receptor negative allosteric modulators.EBI Bioorg Med Chem Lett 23: 2134-9 (2013) SK Biopharmaceuticals 2D 3D TSV
23433670 15 Bromo-deaza-SAH: a potent and selective DOT1L inhibitor.EBI Bioorg Med Chem 21: 1787-94 (2013) EntreMed Inc. 2D 3D TSV
23433668 11 Novel inhibitors of bacterial virulence: development of 5,6-dihydrobenzo[h]quinazolin-4(3H)-ones for the inhibition of group A streptococcal streptokinase expression.EBI Bioorg Med Chem 21: 1880-97 (2013) University of Michigan 2D 3D TSV
23433667 8 Stereoselective synthesis of a new class of potent and selective inhibitors of human¿8,7-sterol isomerase.EBI Bioorg Med Chem 21: 1925-43 (2013) Ludwig-Maximilians University 2D 3D TSV
23432612 20 Cytotoxicity and topoisomerase I/II inhibition activity of novel 4-aryl/alkyl-1-(piperidin-4-yl)-carbonylthiosemicarbazides and 4-benzoylthiosemicarbazides.BDB J Enzyme Inhib Med Chem 29: 243-8 (2014) Medical University 2D 3D TSV
23432160 78 Structure-activity relationships of peptides incorporating a bioactive reverse-turn heterocycle at the melanocortin receptors: identification of a 5800-fold mouse melanocortin-3 receptor (mMC3R) selective antagonist/partial agonist versus the mouse melanocortin-4 receptor (mMC4R).EBI J Med Chem 56: 2747-63 (2013) University of Florida 2D 3D TSV
23432124 2 Studies on an (S)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid (AMPA) receptor antagonist IKM-159: asymmetric synthesis, neuroactivity, and structural characterization.EBI J Med Chem 56: 2283-93 (2013) Yokohama City University 2D 3D TSV
23432095 160 Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17ß-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.EBI J Med Chem 56: 2429-46 (2013) Vanderbilt University School of Medicine 2D 3D TSV
23429054 48 Optimization of heterocyclic substituted benzenesulfonamides as novel carbonic anhydrase IX inhibitors and their structure activity relationship.EBI Eur J Med Chem 62: 597-604 (2013) East China University of Science and Technology 2D 3D TSV
23428965 20 Discovery of dopamine D4 receptor antagonists with planar chirality.EBI Bioorg Med Chem 21: 1680-4 (2013) Friedrich Alexander University 2D 3D TSV
23428964 9 Selective aminopeptidase-N (CD13) inhibitors with relevance to cancer chemotherapy.EBI Bioorg Med Chem 21: 2135-44 (2013) Universit£ de Haute-Alsace 2D 3D TSV
23428155 4 Solubility-driven optimization of (pyridin-3-yl) benzoxazinyl-oxazolidinones leading to a promising antibacterial agent.EBI J Med Chem 56: 2642-50 (2013) Chinese Academy of Sciences 2D 3D TSV
23428109 19 Evaluation of difluoromethyl ketones as agonists of the¿-aminobutyric acid type B (GABAB) receptor.EBI J Med Chem 56: 2456-65 (2013) Purdue University 2D 3D TSV
23427825 45 2-Arylpyrazolo[4,3-d]pyrimidin-7-amino derivatives as new potent and selective human A3 adenosine receptor antagonists. Molecular modeling studies and pharmacological evaluation.EBI J Med Chem 56: 2256-69 (2013) Universit£ di Firenze 2D 3D TSV
23425156 24 The discovery of novel potent trans-3,4-disubstituted pyrrolidine inhibitors of the human aspartic protease renin from in silico three-dimensional (3D) pharmacophore searches.EBI J Med Chem 56: 2207-17 (2013) Novartis Pharma AG 2D 3D TSV
23422935 29 Synthesis of tacrine-lophine hybrids via one-pot four component reaction and biological evaluation as acetyl- and butyrylcholinesterase inhibitors.EBI Eur J Med Chem 62: 556-63 (2013) Universidade Federal do Rio Grande do Sul 2D 3D TSV
23421555 11 Farnesyl diphosphate synthase inhibitors from in silico screening.BDB Chem Biol Drug Des 81: 742-8 (2013) University of California San Diego 2D 3D TSV
23421315 18 Novel inhibitors of protein arginine deiminase with potential activity in multiple sclerosis animal model.EBI J Med Chem 56: 1715-22 (2013) University Health Network 2D 3D TSV
23419736 58 Synthesis of a novel series of 2-alkylthio substituted naphthoquinones as potent acyl-CoA: cholesterol acyltransferase (ACAT) inhibitors.EBI Eur J Med Chem 62: 515-25 (2013) Dongguk University-Seoul 2D 3D TSV
23419026 40 Opioid peptidomimetics: leads for the design of bioavailable mixed efficacyµ opioid receptor (MOR) agonist/d opioid receptor (DOR) antagonist ligands.EBI J Med Chem 56: 2139-49 (2013) University of Michigan 2D 3D TSV
23419007 8 Incorporation of rapid thermodynamic data in fragment-based drug discovery.EBI J Med Chem 56: 2155-9 (2013) The University of Tokyo 2D 3D TSV
23416008 29 3D-QSAR studies of 1,2-diaryl-1H-benzimidazole derivatives as JNK3 inhibitors with protective effects in neuronal cells.EBI Bioorg Med Chem Lett 23: 1639-42 (2013) Hanyang University 2D 3D TSV
23416006 28 Substituted piperidinyl glycinyl 2-cyano-4,5-methano pyrrolidines as potent and stable dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 23: 1622-5 (2013) Bristol-Myers Squibb Research and Development 2D 3D TSV
23416003 52 Design and synthesis of bicyclic pyrazinone and pyrimidinone amides as potent TF-FVIIa inhibitors.EBI Bioorg Med Chem Lett 23: 1604-7 (2013) Bristol-Myers Squibb R&D 2D 3D TSV
23416002 126 Amino acid derived quinazolines as Rock/PKA inhibitors.EBI Bioorg Med Chem Lett 23: 1592-9 (2013) Translational Research Institute 2D 3D TSV
23416001 32 Spirocyclic replacements for the isatin in the highly selective, muscarinic M1 PAM ML137: the continued optimization of an MLPCN probe molecule.EBI Bioorg Med Chem Lett 23: 1860-4 (2013) Vanderbilt University Medical Center 2D 3D TSV
23415088 4 Novel imidazophenoxazine-4-sulfonamides: their synthesis and evaluation as potential inhibitors of PDE4.EBI Bioorg Med Chem 21: 1952-63 (2013) Medicinal Chemistry Laboratory, Research Centre, CKM Arts and Science College, Warangal 506 006, Andhra Pradesh, India. 2D 3D TSV
23415087 44 Hit identification of novel heparanase inhibitors by structure- and ligand-based approaches.EBI Bioorg Med Chem 21: 1944-51 (2013) Structural Biochemistry Laboratory, Centro de Investigaci�n Pr�ncipe Felipe, 46012 Valencia, Spain. rgozalbes@cipf.es 2D 3D TSV
23415083 13 Synthesis, characterization and Akt phosphorylation inhibitory activity of cyclopentanecarboxylate-substituted alkylphosphocholines.EBI Bioorg Med Chem 21: 2018-24 (2013) Kyung Hee University 2D 3D TSV
23415062 13 Investigation ofs receptors agonist/antagonist activity through N-(6-methoxytetralin-1-yl)- and N-(6-methoxynaphthalen-1-yl)alkyl derivatives of polymethylpiperidines.EBI Bioorg Med Chem 21: 1865-9 (2013) Universit£ degli Studi di Bari ALDO MORO 2D 3D TSV
23414845 44 Structure-based discovery of cellular-active allosteric inhibitors of FAK.EBI Bioorg Med Chem Lett 23: 1779-85 (2013) Takeda Pharmaceutical Company Ltd 2D 3D TSV
23414842 16 Spirocyclic compounds, potent CCR1 antagonists.EBI Bioorg Med Chem Lett 23: 1883-6 (2013) AstraZeneca 2D 3D TSV
23414840 285 Synthesis and evaluation of methylsulfonylnitrobenzamides (MSNBAs) as inhibitors of the thyroid hormone receptor-coactivator interaction.EBI Bioorg Med Chem Lett 23: 1891-5 (2013) St. Jude Children's Research Hospital 2D 3D TSV
23414839 27 3D-QSAR and docking studies of pentacycloundecylamines at the sigma-1 (s1) receptor.EBI Bioorg Med Chem Lett 23: 1707-11 (2013) Northeast Ohio Medical University (NEOMED) 2D 3D TSV
23414838 33 Discovery of a novel series of quinolonea7 nicotinic acetylcholine receptor agonists.EBI Bioorg Med Chem Lett 23: 1684-8 (2013) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
23414837 35 Triazolo and imidazo dihydropyrazolopyrimidine potassium channel antagonists.EBI Bioorg Med Chem Lett 23: 1743-7 (2013) Bristol-Myers Squibb 2D 3D TSV
23414807 70 Anion inhibition studies of thea-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.EBI Bioorg Med Chem Lett 23: 1636-8 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
23414803 9 Use of core modification in the discovery of CC214-2, an orally available, selective inhibitor of mTOR kinase.EBI Bioorg Med Chem Lett 23: 1588-91 (2013) Celgene Corporation 2D 3D TSV
23414802 41 Discovery of novel 2-hydroxydiarylamide derivatives as TMPRSS4 inhibitors.EBI Bioorg Med Chem Lett 23: 1748-51 (2013) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
23414801 38 Kinetic and anion inhibition studies of aß-carbonic anhydrase (FbiCA 1) from the C4 plant Flaveria bidentis.EBI Bioorg Med Chem Lett 23: 1626-30 (2013) Istituto di Biostrutture e Bioimmagini 2D 3D TSV
23414800 47 Discovery of novel 7-membered cyclic amide derivatives that inhibit 11beta-hydroxysteroid dehydrogenase type 1.EBI Bioorg Med Chem Lett 23: 1617-21 (2013) Toray Industries, Inc. 2D 3D TSV
23414143 58 Psoralen derivatives as inhibitors of NF-¿B/DNA interaction: synthesis, molecular modeling, 3D-QSAR, and biological evaluation.EBI J Med Chem 56: 1830-42 (2013) Universit£ degli Studi di Padova 2D 3D TSV
23414088 102 Chemoenzymatic synthesis of new 2,4-syn-functionalized (S)-glutamate analogues and structure-activity relationship studies at ionotropic glutamate receptors and excitatory amino acid transporters.EBI J Med Chem 56: 1614-28 (2013) University of Copenhagen 2D 3D TSV
23412139 26 Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS A▀ Reduction.EBI ACS Med Chem Lett 3: 897-902 (2012) TBA 2D 3D TSV
23411396 60 Synthesis of new fluorinated, 2-substituted 5-pyrrolidinylsulfonyl isatin derivatives as caspase-3 and caspase-7 inhibitors: nonradioactive counterparts of putative PET-compatible apoptosis imaging agents.EBI Bioorg Med Chem 21: 2025-36 (2013) Westf£lische Wilhelms-Universit£t M£nster 2D 3D TSV
23411080 40 Synthesis and SAR study of pyrrolo[3,4-b]pyridin-7(6H)-one derivatives as melanin concentrating hormone receptor 1 (MCH-R1) antagonists.EBI Bioorg Med Chem Lett 23: 1736-9 (2013) Korea Research Institute of Chemical Technology 2D 3D TSV
23411075 37 Arylglycine derivatives as potent transient receptor potential melastatin 8 (TRPM8) antagonists.EBI Bioorg Med Chem Lett 23: 2234-7 (2013) Janssen Research& Development, L.L.C. 2D 3D TSV
23411073 18 Flavonoids as receptor tyrosine kinase FLT3 inhibitors.EBI Bioorg Med Chem Lett 23: 1768-70 (2013) Dongguk University-Seoul 2D 3D TSV
23410798 1 Spiro heterocycles as potential inhibitors of SIRT1: Pd/C-mediated synthesis of novel N-indolylmethyl spiroindoline-3,2'-quinazolines.EBI Bioorg Med Chem Lett 23: 1351-7 (2013) University of Hyderabad Campus 2D 3D TSV
23410005 147 Synthesis and cancer stem cell-based activity of substituted 5-morpholino-7H-thieno[3,2-b]pyran-7-ones designed as next generation PI3K inhibitors.EBI J Med Chem 56: 1922-39 (2013) The University of Arizona 2D 3D TSV
23409953 13 Discovery of novel Trypanosoma brucei phosphodiesterase B1 inhibitors by virtual screening against the unliganded TbrPDEB1 crystal structure.EBI J Med Chem 56: 2087-96 (2013) VU University Amsterdam 2D 3D TSV
23406473 4 New chemotypes as Trypanosoma cruzi triosephosphate isomerase inhibitors: a deeper insight into the mechanism of inhibition.BDB J Enzyme Inhib Med Chem 29: 198-204 (2014) Universidad de la Rep˙blica 2D 3D TSV
23406460 12 A nonionic inhibitor with high specificity for the UDP-Gal donor binding site of human blood group B galactosyltransferase: design, synthesis, and characterization.EBI J Med Chem 56: 2150-4 (2013) University of Hamburg 2D 3D TSV
23406429 83 Novel triaryl sulfonamide derivatives as selective cannabinoid receptor 2 inverse agonists and osteoclast inhibitors: discovery, optimization, and biological evaluation.EBI J Med Chem 56: 2045-58 (2013) University of Pittsburgh 2D 3D TSV
23403296 2 Olive secoiridoids and semisynthetic bioisostere analogues for the control of metastatic breast cancer.EBI Bioorg Med Chem 21: 2117-27 (2013) University of Louisiana at Monroe 2D 3D TSV
23403082 28 Cinnamides as selective small-molecule inhibitors of a cellular model of breast cancer stem cells.EBI Bioorg Med Chem Lett 23: 1834-8 (2013) Broad Institute of MIT and Harvard 2D 3D TSV
23403081 20 Design, synthesis and aromatase inhibitory activities of novel indole-imidazole derivatives.EBI Bioorg Med Chem Lett 23: 1760-2 (2013) Key Laboratory of Medicinal Chemistry for Natural Resource (Yunnan University) 2D 3D TSV
23402880 51 The synthesis and SAR of calcitonin gene-related peptide (CGRP) receptor antagonists derived from tyrosine surrogates. Part 2.EBI Bioorg Med Chem Lett 23: 1870-3 (2013) Bristol-Myers Squibb Research& Development 2D 3D TSV
23402879 1 Synthetic approaches to DNMT inhibitor SGI-1027 and effects on the U937 leukemia cell line.EBI Bioorg Med Chem Lett 23: 1631-5 (2013) Universidade de Vigo 2D 3D TSV
23402383 6 Discovery of new HER2/EGFR dual kinase inhibitors based on the anilinoquinazoline scaffold as potential anti-cancer agents.BDB J Enzyme Inhib Med Chem 29: 215-22 (2014) MSA University 2D 3D TSV
23401473 9 Interaction of silymarin flavonolignans with organic anion-transporting polypeptides.EBI Drug Metab Dispos 41: 958-65 (2013) University of North Carolina at Chapel Hill 2D 3D TSV
23399722 30 Synthesis and biological evaluation of guanidino analogues of roscovitine.EBI Eur J Med Chem 62: 443-52 (2013) Palack£ University& Institute of Experimental Botany ASCR 2D 3D TSV
23398677 21 Design, Synthesis, Structural Characterization by IR, (1) H, (13) C, (15) N, 2D-NMR, X-Ray Diffraction and Evaluation of a New Class of Phenylaminoacetic Acid Benzylidene Hydrazines as pfENR Inhibitors.BDB Chem Biol Drug Des 81: 715-29 (2013) Bombay College of Pharmacy 2D 3D TSV
23398496 8 Mexican antidiabetic herbs: valuable sources of inhibitors ofa-glucosidases.EBI J Nat Prod 76: 468-83 (2013) Universidad Nacional Aut£noma de M£xico 2D 3D TSV
23398473 85 Selective mGAT2 (BGT-1) GABA uptake inhibitors: design, synthesis, and pharmacological characterization.EBI J Med Chem 56: 2160-4 (2013) University of Copenhagen 2D 3D TSV
23398453 4 Discovery and optimization of a novel series of potent mutant B-Raf(V600E) selective kinase inhibitors.EBI J Med Chem 56: 1996-2015 (2013) AstraZeneca 2D 3D TSV
23398373 88 Design and optimization of selective protein kinase C¿ (PKC¿) inhibitors for the treatment of autoimmune diseases.EBI J Med Chem 56: 1799-810 (2013) Vertex Pharmaceuticals (Europe) Ltd. 2D 3D TSV
23396419 4 Involvement of organic anion-transporting polypeptides in the hepatic uptake of dioscin in rats and humans.EBI Drug Metab Dispos 41: 994-1003 (2013) Dalian Medical University 2D 3D TSV
23395967 4 In vitro activity of scorpiand-like azamacrocycle derivatives in promastigotes and intracellular amastigotes of Leishmania infantum and Leishmania braziliensis.EBI Eur J Med Chem 62: 466-77 (2013) Universidad de Granada 2D 3D TSV
23395965 3 Characterization of a selective CaMKII peptide inhibitor.EBI Eur J Med Chem 62: 425-34 (2013) University of Naples Federico II 2D 3D TSV
23395664 66 Phosphorothioate analogs of sn-2 radyl lysophosphatidic acid (LPA): metabolically stabilized LPA receptor agonists.EBI Bioorg Med Chem Lett 23: 1865-9 (2013) The University of Utah 2D 3D TSV
23395662 2 Synthesis of tartaric acid analogues of FR258900 and their evaluation as glycogen phosphorylase inhibitors.EBI Bioorg Med Chem Lett 23: 1789-92 (2013) University of Debrecen 2D 3D TSV
23395660 48 Benzimidazole-carboxamides as potent and bioavailable stearoyl-CoA desaturase (SCD1) inhibitors from ligand-based virtual screening and chemical optimization.EBI Bioorg Med Chem Lett 23: 1817-22 (2013) Sanofi-Aventis Deutschland GmbH 2D 3D TSV
23395659 27 Synthesis and biological evaluation of 1-(2-hydroxy-3-phenyloxypropyl)piperazine derivatives as T-type calcium channel blockers.EBI Bioorg Med Chem Lett 23: 1887-90 (2013) Korea Institute of Science and Technology 2D 3D TSV
23395658 49 Structure-guided design, synthesis and in vitro evaluation of a series of pyrazole-based fatty acid binding protein (FABP) 3 ligands.EBI Bioorg Med Chem Lett 23: 1662-6 (2013) Okayama University 1-1-1 2D 3D TSV
23395652 1 Structural analogs of huperzine A improve survival in guinea pigs exposed to soman.EBI Bioorg Med Chem Lett 23: 1544-7 (2013) University of Illinois at Chicago 2D 3D TSV
23395113 31 Small molecule inhibitors of PCNA/PIP-box interaction suppress translesion DNA synthesis.EBI Bioorg Med Chem 21: 1972-7 (2013) St. Jude Children's Research Hospital 2D 3D TSV
23395112 32 Design, synthesis, and binding mode prediction of 2-pyridone-based selective CB2 receptor agonists.EBI Bioorg Med Chem 21: 2045-55 (2013) Shionogi Pharmaceutical Research Center 2D 3D TSV
23395111 7 Novel pseudopeptides incorporating a benzodiazepine-based turn mimetic--targeting Mycobacterium tuberculosis ribonucleotide reductase.EBI Bioorg Med Chem 21: 1992-2000 (2013) Uppsala University 2D 3D TSV
23395110 4 Novel symmetrical ureas as modulators of protein arginine methyl transferases.EBI Bioorg Med Chem 21: 2056-67 (2013) Universidade de Vigo 2D 3D TSV
23394864 16 Novel sulfamides as potential carbonic anhydrase isoenzymes inhibitors.EBI Bioorg Med Chem 21: 1379-85 (2013) Atat£rk University 2D 3D TSV
23394863 13 Synthesis and biological evaluation of substituted imidazoquinoline derivatives as mPGES-1 inhibitors.EBI Bioorg Med Chem 21: 2068-78 (2013) Dainippon Sumitomo Pharma Co., Ltd 2D 3D TSV
23394791 177 4-Substituted-2,3,5,6-tetrafluorobenzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, XII, and XIII.EBI Bioorg Med Chem 21: 2093-106 (2013) Vilnius University Institute of Biotechnology 2D 3D TSV
23394318 1 Antidepressant abietane diterpenoids from Chinese eaglewood.EBI J Nat Prod 76: 216-22 (2013) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
23394218 159 Discovery of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (AZD5363), an orally bioavailable, potent inhibitor of Akt kinases.EBI J Med Chem 56: 2059-73 (2013) AstraZeneca 2D 3D TSV
23394205 106 Discovery of 4-{4-[(3R)-3-Methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole (AZ20): a potent and selective inhibitor of ATR protein kinase with monotherapy in vivo antitumor activity.EBI J Med Chem 56: 2125-38 (2013) AstraZeneca 2D 3D TSV
23394180 68 Optimized S-trityl-L-cysteine-based inhibitors of kinesin spindle protein with potent in vivo antitumor activity in lung cancer xenograft models.EBI J Med Chem 56: 1878-93 (2013) The Beatson Institute for Cancer Research 2D 3D TSV
23394126 170 Discovery of a novel class of highly potent, selective, ATP-competitive, and orally bioavailable inhibitors of the mammalian target of rapamycin (mTOR).EBI J Med Chem 56: 2218-34 (2013) Exelixis 2D 3D TSV
23391589 6 Discovery of novel inhibitors targeting the Mycobacterium tuberculosis O-acetylserine sulfhydrylase (CysK1) using virtual high-throughput screening.EBI Bioorg Med Chem Lett 23: 1182-6 (2013) Birla Institute of Technology& Science-Pilani 2D 3D TSV
23391364 78 Design, modification and 3D QSAR studies of novel naphthalin-containing pyrazoline derivatives with/without thiourea skeleton as anticancer agents.EBI Bioorg Med Chem 21: 1050-63 (2013) Nanjing University 2D 3D TSV
23391336 80 Cloning, characterization, and sulfonamide and thiol inhibition studies of ana-carbonic anhydrase from Trypanosoma cruzi, the causative agent of Chagas disease.EBI J Med Chem 56: 1761-71 (2013) University of Tampere and Tampere University Hospital 2D 3D TSV
23391306 75 Identification of novel D-amino acid oxidase inhibitors by in silico screening and their functional characterization in vitro.EBI J Med Chem 56: 1894-907 (2013) Kitasato University 2D 3D TSV
23391145 7 Mechanism of retinoid X receptor partial agonistic action of 1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)-1H-benzotriazole-5-carboxylic acid and structural development to increase potency.EBI J Med Chem 56: 1865-77 (2013) Okayama University Graduate School of Medicine 2D 3D TSV
23391138 14 Synthesis and carbonic anhydrase isoenzymes I and II inhibitory effects of novel benzylamine derivatives.BDB J Enzyme Inhib Med Chem 29: 168-74 (2014) AtatŘrk University 2D 3D TSV
23388705 30 Transport of A1 adenosine receptor agonist tecadenoson by human and mouse nucleoside transporters: evidence for blood-brain barrier transport by murine equilibrative nucleoside transporter 1 mENT1.EBI Drug Metab Dispos 41: 916-22 (2013) Gilead Sciences, Inc. 2D 3D TSV
23387824 18 Sesquiterpenes from the rhizomes of Curcuma heyneana.EBI J Nat Prod 76: 223-9 (2013) University of Toyama 2D 3D TSV
23386702 10 Reversible inhibition of human carboxylesterases by acyl glucuronides.EBI Drug Metab Dispos 41: 698-703 (2013) Eisai Inc. 2D 3D TSV
23385213 4 Synthesis and antibacterial activities of new piperidine substituted (5R)-[1,2,3]triazolylmethyl and (5R)-[(4-F-[1,2,3]triazolyl)methyl] oxazolidinones.EBI Bioorg Med Chem Lett 23: 1193-6 (2013) Korea Institute Science and Technology 2D 3D TSV
23385211 6 Basic N-interlinked imipramines show apoptotic activity against malignant cells including Burkitt's lymphoma.EBI Bioorg Med Chem Lett 23: 1220-4 (2013) Trinity College 2D 3D TSV
23384387 4 Novel acylethanolamide derivatives that modulate body weight through enhancement of hypothalamic pro-opiomelanocortin (POMC) and/or decreased neuropeptide Y (NPY).EBI J Med Chem 56: 1811-29 (2013) Hebrew University of Jerusalem 2D 3D TSV
23380475 7 Synthesis, biological evaluation and molecular modeling of aloe-emodin derivatives as new acetylcholinesterase inhibitors.EBI Bioorg Med Chem 21: 1064-73 (2013) Hainan University 2D 3D TSV
23380378 127 Highly potent and selective cannabinoid receptor 2 agonists: initial hit optimization of an adamantyl hit series identified from high-through-put screening.EBI Bioorg Med Chem Lett 23: 1177-81 (2013) F. Hoffmann-La Roche Ltd 2D 3D TSV
23380376 4 Cinnamic acid derivatives as inhibitors for chorismatases and isochorismatases.EBI Bioorg Med Chem Lett 23: 1477-81 (2013) University of Freiburg 2D 3D TSV
23380375 48 Design, synthesis, and SAR of N-((1-(4-(propylsulfonyl)piperazin-1-yl)cycloalkyl)methyl)benzamide inhibitors of glycine transporter-1.EBI Bioorg Med Chem Lett 23: 1257-61 (2013) AMRI 2D 3D TSV
23380174 2 Montmorillonite K-10 catalyzed green synthesis of 2,6-unsubstituted dihydropyridines as potential inhibitors of PDE4.EBI Eur J Med Chem 62: 395-404 (2013) Dr. Reddy's Laboratories Limited 2D 3D TSV
23379595 55 Discovery of 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide (MK-8033): A Specific c-Met/Ron dual kinase inhibitor with preferential affinity for the activated state of c-Met.EBI J Med Chem 56: 2294-310 (2013) Merck& Co., Inc. 2D 3D TSV
23379567 2 Torsion angle preferences in druglike chemical space: a comprehensive guide.EBI J Med Chem 56: 2016-28 (2013) University of Hamburg 2D 3D TSV
23379472 187 Structural modifications to tetrahydropyridine-3-carboxylate esters en route to the discovery of M5-preferring muscarinic receptor orthosteric antagonists.EBI J Med Chem 56: 1693-703 (2013) University of Arkansas for Medical Sciences 2D 3D TSV
23378626 2 Absorption, elimination, and metabolism of CS-1036, a novela-amylase inhibitor in rats and monkeys, and the relationship between gastrointestinal distribution and suppression of glucose absorption.EBI Drug Metab Dispos 41: 878-87 (2013) Daiichi Sankyo Co., Ltd. 2D 3D TSV
23376997 53 Arylsulfonamide inhibitors of aggrecanases as potential therapeutic agents for osteoarthritis: synthesis and biological evaluation.EBI Eur J Med Chem 62: 379-94 (2013) Universit£ di Pisa 2D 3D TSV
23376251 32 Towards dual antithrombotic compounds - balancing thrombin inhibitory and fibrinogen GPIIb/IIIa binding inhibitory activities of 2,3-dihydro-1,4-benzodioxine derivatives through regio- and stereoisomerism.EBI Eur J Med Chem 62: 329-40 (2013) University of Ljubljana 2D 3D TSV
23376249 46 Synthesis and biological evaluation of 1,3,4-thiadiazole analogues as novel AChE and BuChE inhibitors.EBI Eur J Med Chem 62: 311-9 (2013) University of Life Sciences 2D 3D TSV
23376248 3 Discovery of novel inhibitors of signal transducer and activator of transcription 3 (STAT3) signaling pathway by virtual screening.EBI Eur J Med Chem 62: 301-10 (2013) Fudan University 2D 3D TSV
23375794 220 Synthesis and structure-activity relationship analysis of caffeic acid amides as selective matrix metalloproteinase inhibitors.EBI Bioorg Med Chem Lett 23: 1206-11 (2013) Nanjing University of Chinese Medicine 2D 3D TSV
23375793 26 Optimization of potent and selective dual mTORC1 and mTORC2 inhibitors: the discovery of AZD8055 and AZD2014.EBI Bioorg Med Chem Lett 23: 1212-6 (2013) AstraZeneca 2D 3D TSV
23375227 6 Critical role of a methyl group on the¿-lactone ring of annonaceous acetogenins in the potent inhibition of mitochondrial complex I.EBI Bioorg Med Chem Lett 23: 1217-9 (2013) Kyoto Pharmaceutical University 2D 3D TSV
23375226 22 Structural analysis of the active sites of dihydrofolate reductase from two species of Candida uncovers ligand-induced conformational changes shared among species.EBI Bioorg Med Chem Lett 23: 1279-84 (2013) University of Connecticut 2D 3D TSV
23375225 11 Hybrids consisting of the pharmacophores of salmeterol and roflumilast or phthalazinone: dualß2-adrenoceptor agonists-PDE4 inhibitors for the treatment of COPD.EBI Bioorg Med Chem Lett 23: 1548-52 (2013) Sun Yat-sen University 2D 3D TSV
23375094 12 Identification of small-molecule inhibitors of the human S100B-p53 interaction and evaluation of their activity in human melanoma cells.EBI Bioorg Med Chem 21: 1109-15 (2013) The University of Tokyo 2D 3D TSV
23375092 16 The effect of absolute configuration on activity, subtype selectivity (M3/M2) of 3a-acyloxy-6ß-acetoxyltropane derivatives as muscarinic M3 receptor antagonists.EBI Bioorg Med Chem 21: 1234-9 (2013) Shanghai Jiao Tong University School of Medicine 2D 3D TSV
23375091 5 Selective inhibition of glycosyltransferases by bivalent imidazolium salts.EBI Bioorg Med Chem 21: 1305-11 (2013) Queen's University 2D 3D TSV
23375090 54 N2-Trimethylacetyl substituted and unsubstituted-N4-phenylsubstituted-6-(2-pyridin-2-ylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines: design, cellular receptor tyrosine kinase inhibitory activities and in vivo evaluation as antiangiogenic, antimetastatic and antitumor agents.EBI Bioorg Med Chem 21: 1312-23 (2013) Duquesne University 2D 3D TSV
23374872 27 Potent and selective tariquidar bioisosters as potential PET radiotracers for imaging P-gp.EBI Bioorg Med Chem Lett 23: 1370-4 (2013) Universit£ degli Studi di Bari 'A. Moro' 2D 3D TSV
23374868 76 1-(4-Phenylpiperazin-1-yl)-2-(1H-pyrazol-1-yl)ethanones as novel CCR1 antagonists.EBI Bioorg Med Chem Lett 23: 1228-31 (2013) ChemoCentryx, Inc. 2D 3D TSV
23374867 40 Discovery of (1R,2R)-N-(4-(6-isopropylpyridin-2-yl)-3-(2-methyl-2H-indazol-5-yl)isothiazol-5-yl)-2-methylcyclopropanecarboxamide, a potent and orally efficacious mGlu5 receptor negative allosteric modulator.EBI Bioorg Med Chem Lett 23: 1249-52 (2013) Lilly Research Laboratories 2D 3D TSV
23374866 35 Inhibiting NF-¿B-inducing kinase (NIK): discovery, structure-based design, synthesis, structure-activity relationship, and co-crystal structures.EBI Bioorg Med Chem Lett 23: 1238-44 (2013) Amgen Inc. 2D 3D TSV
23374864 9 Synthesis and biological evaluation of 5-nitropyrimidine analogs with azabicyclic substituents as GPR119 agonists.EBI Bioorg Med Chem Lett 23: 1519-21 (2013) College of Pharmacy of Kangwon National University 2D 3D TSV
23374014 24 Discovery of biphenylacetamide-derived inhibitors of BACE1 using de novo structure-based molecular design.EBI J Med Chem 56: 1843-52 (2013) University of Leeds 2D 3D TSV
23371966 1 Potential role of UGT1A4 promoter SNPs in anastrozole pharmacogenomics.EBI Drug Metab Dispos 41: 870-7 (2013) University of Arkansas for Medical Sciences 2D 3D TSV
23371965 1 The inactivation of human CYP2E1 by phenethyl isothiocyanate, a naturally occurring chemopreventive agent, and its oxidative bioactivation.EBI Drug Metab Dispos 41: 858-69 (2013) University of Michigan Medical School 2D 3D TSV
23369538 88 Synthesis and structure-activity relationship of pyripyropene A derivatives as potent and selective acyl-CoA:cholesterol acyltransferase 2 (ACAT2) inhibitors: part 1.EBI Bioorg Med Chem Lett 23: 1285-7 (2013) Kitasato University 2D 3D TSV
23369356 15 Biological profile of the less lipophilic and synthetically more accessible bryostatin 7 closely resembles that of bryostatin 1.BDB ACS Chem Biol 8: 767-77 (2013) National Cancer Institute 2D 3D TSV
23368907 62 Discovery of 2-(phenoxypyridine)-3-phenylureas as small molecule P2Y1 antagonists.EBI J Med Chem 56: 1704-14 (2013) Bristol-Myers Squibb Research and Development 2D 3D TSV
23368884 80 Potent and selective inhibition of histone deacetylase 6 (HDAC6) does not require a surface-binding motif.EBI J Med Chem 56: 1772-6 (2013) Broad Institute of MIT and Harvard 2D 3D TSV
23363292 8 The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition.BDB Biochemistry 52: 1776-1787 (2013) University of Auckland 2D 3D TSV
23363077 2 Fluorinated N,N-dialkylaminostilbenes repress colon cancer by targeting methionine S-adenosyltransferase 2A.BDB ACS Chem Biol 8: 796-803 (2013) University of Kentucky 2D 3D TSV
23363058 68 Modulation of cytochromes P450 with xanthone-based molecules: from aromatase to aldosterone synthase and steroid 11ß-hydroxylase inhibition.EBI J Med Chem 56: 1723-9 (2013) University of Bologna 2D 3D TSV
23363020 3 Pharmacological chaperones as therapeutics for lysosomal storage diseases.EBI J Med Chem 56: 2705-25 (2013) Amicus Therapeutics 2D 3D TSV
23363003 22 Development of inhibitors of the PAS-B domain of the HIF-2a transcription factor.EBI J Med Chem 56: 1739-47 (2013) University of Texas Southwestern Medical Center 2D 3D TSV
23362959 72 Structure-activity relationship studies of pyrazolo[3,4-d]pyrimidine derivatives leading to the discovery of a novel multikinase inhibitor that potently inhibits FLT3 and VEGFR2 and evaluation of its activity against acute myeloid leukemia in vitro and in vivo.EBI J Med Chem 56: 1641-55 (2013) Sichuan University 2D 3D TSV
23362938 48 Identification of bacteria-selective threonyl-tRNA synthetase substrate inhibitors by structure-based design.EBI J Med Chem 56: 1748-60 (2013) Trius Therapeutics, Inc. 2D 3D TSV
23362923 59 Biselectivity of isoDGR peptides for fibronectin binding integrin subtypesa5ß1 andavß6: conformational control through flanking amino acids.EBI J Med Chem 56: 1509-19 (2013) Technische Universit£t M£nchen 2D 3D TSV
23362862 13 A chemical-biological study reveals C9-type iridoids as novel heat shock protein 90 (Hsp90) inhibitors.EBI J Med Chem 56: 1583-95 (2013) Universit£ di Salerno 2D 3D TSV
23360448 18 Development of¿ opioid receptor antagonists.EBI J Med Chem 56: 2178-95 (2013) Research Triangle Institute 2D 3D TSV
23360348 11 Discovery of a potent and isoform-selective targeted covalent inhibitor of the lipid kinase PI3Ka.EBI J Med Chem 56: 712-21 (2013) Celgene Avilomics Research 2D 3D TSV
23360239 19 A novel class of oral direct renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.EBI J Med Chem 56: 2196-206 (2013) Novartis Pharma AG 2D 3D TSV
23360215 16 Exploring a new frontier in cancer treatment: targeting the ubiquitin and ubiquitin-like activating enzymes.EBI J Med Chem 56: 2165-77 (2013) University of Toronto Mississauga 2D 3D TSV
23357636 4 Bioactive polyhydroxylated steroids from the Hainan soft coral Sinularia depressa Tixier-Durivault.EBI Bioorg Med Chem Lett 23: 1334-7 (2013) Chinese Academy of Sciences 2D 3D TSV
23357634 74 Discovery and structure-activity relationship of 1,3-cyclohexyl amide derivatives as novel mGluR5 negative allosteric modulators.EBI Bioorg Med Chem Lett 23: 1398-406 (2013) Lundbeck Research USA, Inc. 2D 3D TSV
23357627 10 Phosphonic analogues of glutamic acid as irreversible inhibitors of Staphylococcus aureus endoproteinase GluC: an efficient synthesis and inhibition of the human IgG degradation.EBI Bioorg Med Chem Lett 23: 1412-5 (2013) Wroclaw University of Technology 2D 3D TSV
23357307 14 Novel pyrazole derivatives as neutral CB1 antagonists with significant activity towards food intake.EBI Eur J Med Chem 62: 256-69 (2013) Neuroscienze PharmaNess S.c.a r.l. 2D 3D TSV
23357035 19 Synthesis and biological evaluation of novel 2,4-disubstituted quinazoline analogues as GPR119 agonists.EBI Bioorg Med Chem 21: 1349-56 (2013) Kangwon National University 2D 3D TSV
23356879 50 Synthesis and structure-activity relationship studies of novel dual inhibitors of soluble epoxide hydrolase and 5-lipoxygenase.EBI J Med Chem 56: 1777-81 (2013) Goethe-University Frankfurt 2D 3D TSV
23356427 16 Synthesis and carbonic anhydrase inhibitory properties of 1,3-dicarbonyl derivatives of methylaminobenzene-sulfonamide.BDB J Enzyme Inhib Med Chem 29: 132-6 (2014) Sakarya University 2D 3D TSV
23356363 215 Benzenesulfonamides with benzimidazole moieties as inhibitors of carbonic anhydrases I, II, VII, XII and XIII.BDB J Enzyme Inhib Med Chem 29: 124-31 (2014) Vilnius University 2D 3D TSV
23355637 14 Metabolites of PPI-2458, a selective, irreversible inhibitor of methionine aminopeptidase-2: structure determination and in vivo activity.EBI Drug Metab Dispos 41: 814-26 (2013) GlaxoSmithKline 2D 3D TSV
23354070 18 Evidence for a new binding mode to GSK-3: allosteric regulation by the marine compound palinurin.EBI Eur J Med Chem 60: 479-89 (2013) Universitat de Barcelona 2D 3D TSV
23353756 23 Synthesis, pharmacological evaluation and QSAR modeling of mono-substituted 4-phenylpiperidines and 4-phenylpiperazines.EBI Eur J Med Chem 62: 241-55 (2013) NeuroSearch Sweden AB 2D 3D TSV
23353746 46 2,3-diarylpropenoic acids as selective non-steroidal inhibitors of type-5 17ß-hydroxysteroid dehydrogenase (AKR1C3).EBI Eur J Med Chem 62: 89-97 (2013) University of Ljubljana 2D 3D TSV
23353742 29 Design, synthesis and SAR of piperidyl-oxadiazoles as 11ß-hydroxysteroid dehydrogenase 1 inhibitors.EBI Eur J Med Chem 62: 1-10 (2013) Chinese Academy of Sciences 2D 3D TSV
23353741 117 Synthesis and biological evaluation of some novel resveratrol amide derivatives as potential anti-tumor agents.EBI Eur J Med Chem 62: 222-31 (2013) Hefei University of Technology 2D 3D TSV
23353740 21 Biotransformation of LASSBio-579 and pharmacological evaluation of p-hydroxylated metabolite a N-phenylpiperazine antipsychotic lead compound.EBI Eur J Med Chem 62: 214-21 (2013) Universidade Federal de Goi£s 2D 3D TSV
23353736 41 Synthesis of derivatives of methyl rosmarinate and their inhibitory activities against matrix metalloproteinase-1 (MMP-1).EBI Eur J Med Chem 62: 148-57 (2013) Second Military Medical University 2D 3D TSV
23352768 21 Cyclopropyl- and methyl-containing inhibitors of neuronal nitric oxide synthase.EBI Bioorg Med Chem 21: 1333-43 (2013) University of California 2D 3D TSV
23352754 28 o-Benzenedisulfonimido-sulfonamides are potent inhibitors of the tumor-associated carbonic anhydrase isoforms CA IX and CA XII.EBI Bioorg Med Chem 21: 1386-91 (2013) Istanbul University 2D 3D TSV
23352510 37 Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead.EBI Bioorg Med Chem Lett 23: 1486-92 (2013) Roche Palo Alto 2D 3D TSV
23352481 16 Design, synthesis and structure-activity relationship of novel tricyclic benzimidazolone derivatives as potent 18 kDa translocator protein (TSPO) ligands.EBI Bioorg Med Chem 21: 1257-67 (2013) Dainippon Sumitomo Pharma Co. Ltd 2D 3D TSV
23350847 169 Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.EBI J Med Chem 56: 1677-92 (2013) Hoffmann-La Roche Inc. 2D 3D TSV
23350811 57 Docking-based virtual screening of covalently binding ligands: an orthogonal lead discovery approach.EBI J Med Chem 56: 1478-90 (2013) MSD Animal Health Innovation GmbH 2D 3D TSV
23350768 196 Design, synthesis, and pharmacological properties of new heteroarylpyridine/heteroarylpyrimidine derivatives as CB(2) cannabinoid receptor partial agonists.EBI J Med Chem 56: 1098-112 (2013) Universit£ di Ferrara 2D 3D TSV
23350733 10 Potent elastase inhibitors from cyanobacteria: structural basis and mechanisms mediating cytoprotective and anti-inflammatory effects in bronchial epithelial cells.EBI J Med Chem 56: 1276-90 (2013) University of Florida 2D 3D TSV
23347803 29 Naphthalenyl derivatives for hitting P-gp/MRP1/BCRP transporters.EBI Bioorg Med Chem 21: 1324-32 (2013) Universit£ degli Studi di Bari ALDO MORO 2D 3D TSV
23344974 8 Using a fragment-based approach to target protein-protein interactions.BDB Chembiochem 14: 332-42 (2013) University of Cambridge 2D 3D TSV
23344796 16 Organic anion transporter 3 interacts selectively with lipophilic▀-lactam antibiotics.EBI Drug Metab Dispos 41: 791-800 (2013) Wilkes University 2D 3D TSV
23343195 5 Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.EBI J Med Chem 56: 1149-59 (2013) CEA 2D 3D TSV
23342198 77 Structure-activity relationships and molecular modeling of 1,2,4-triazoles as adenosine receptor antagonists.EBI ACS Med Chem Lett 3: 715-720 (2012) TBA 2D 3D TSV
23340139 27 Evaluation of adamantane hydroxamates as botulinum neurotoxin inhibitors: synthesis, crystallography, modeling, kinetic and cellular based studies.EBI Bioorg Med Chem 21: 1344-8 (2013) The Scripps Research Institute 2D 3D TSV
23339734 4 Design, synthesis, and functional evaluation of leukocyte function associated antigen-1 antagonists in early and late stages of cancer development.EBI J Med Chem 56: 735-47 (2013) Ikerchem Ltd. 2D 3D TSV
23339426 46 In vitro inhibition effect and structure-activity relationships of some saccharin derivatives on erythrocyte carbonic anhydrase I and II.BDB J Enzyme Inhib Med Chem 29: 118-23 (2014) Sakarya University 2D 3D TSV
23337802 21 Synthesis and biological evaluation of novel tryptoline derivatives as indoleamine 2,3-dioxygenase (IDO) inhibitors.EBI Bioorg Med Chem 21: 1159-65 (2013) Toho University 2D 3D TSV
23337801 24 Synthesis and SAR study of new thiazole derivatives as vascular adhesion protein-1 (VAP-1) inhibitors for the treatment of diabetic macular edema.EBI Bioorg Med Chem 21: 1219-33 (2013) Astellas Pharma Inc. 2D 3D TSV
23337601 70 Discovery of 5-phenoxy-1,3-dimethyl-1H-pyrazole-4-carboxamides as potent agonists of TGR5 via sequential combinatorial libraries.EBI Bioorg Med Chem Lett 23: 1407-11 (2013) Pfizer Inc. 2D 3D TSV
23337599 7 N-1, C-3 substituted indoles as 5-LOX inhibitors--in vitro enzyme immunoaasay, mass spectral and molecular docking investigations.EBI Bioorg Med Chem Lett 23: 1433-7 (2013) Guru Nanak Dev University 2D 3D TSV
23336362 10 Focused pseudostatic hydrazone libraries screened by mass spectrometry binding assay: optimizing affinities toward¿-aminobutyric acid transporter 1.EBI J Med Chem 56: 1323-40 (2013) Ludwig Maximilians University at Munich 2D 3D TSV
23333209 62 Amides of 4-hydroxy-8-methanesulfonylamino-quinoline-2-carboxylic acid as zinc-dependent inhibitors of Lp-PLA2.EBI Bioorg Med Chem Lett 23: 1553-6 (2013) ActivX Biosciences, Inc. 2D 3D TSV
23333208 24 Design and synthesis of D1 agonist/D2 antagonist for treatment of schizophrenia.EBI Bioorg Med Chem Lett 23: 1498-501 (2013) Sanofi US 2D 3D TSV
23333207 9 Synthesis and biological evaluation of 2-(arylethynyl)quinoline derivatives as mGluR5 antagonists for the treatment of neuropathic pain.EBI Bioorg Med Chem Lett 23: 1472-6 (2013) Brain Science Institute 2D 3D TSV
23332369 5 Synthesis of N(4)-(substituted phenyl)-N(4)-alkyl/desalkyl-9H-pyrimido[4,5-b]indole-2,4-diamines and identification of new microtubule disrupting compounds that are effective against multidrug resistant cells.EBI Bioorg Med Chem 21: 891-902 (2013) Duquesne University 2D 3D TSV
23332346 69 Asymmetric total synthesis and identification of tetrahydroprotoberberine derivatives as new antipsychotic agents possessing a dopamine D(1), D(2) and serotonin 5-HT(1A) multi-action profile.EBI Bioorg Med Chem 21: 856-68 (2013) Chinese Academy of Sciences 2D 3D TSV
23330848 8 Acetylcholinesterase immobilized capillary reactors-tandem mass spectrometry: an on-flow tool for ligand screening.EBI J Med Chem 56: 2038-44 (2013) Universidade Federal de S£o Carlos 2D 3D TSV
23327656 10 Selective inhibition of extracellular thioredoxin by asymmetric disulfides.EBI J Med Chem 56: 1301-10 (2013) Stanford University 2D 3D TSV
23327640 24 Phenolic compounds with pancreatic lipase inhibitory activity from Korean yam (Dioscorea opposita).BDB J Enzyme Inhib Med Chem 29: 1-6 (2014) Seoul National University 2D 3D TSV
23324406 77 Phthalazinone inhibitors of inosine-5'-monophosphate dehydrogenase from Cryptosporidium parvum.EBI Bioorg Med Chem Lett 23: 1004-7 (2013) Brandeis University 2D 3D TSV
23324405 49 Evolution of novel tricyclic CRTh2 receptor antagonists from a (E)-2-cyano-3-(1H-indol-3-yl)acrylamide scaffold.EBI Bioorg Med Chem Lett 23: 944-8 (2013) Actelion Pharmaceuticals Ltd 2D 3D TSV
23323953 18 Synthesis and carbonic anhydrase inhibitory properties of novel 1,4-dihydropyrimidinone substituted diarylureas.BDB J Enzyme Inhib Med Chem 29: 18-22 (2014) Sakarya University 2D 3D TSV
23323951 10 Phenolic phytochemical displaying SARS-CoV papain-like protease inhibition from the seeds of Psoralea corylifolia.BDB J Enzyme Inhib Med Chem 29: 59-63 (2014) Gyeongsang National University 2D 3D TSV
23320547 69 Incorporation of non-natural amino acids improves cell permeability and potency of specific inhibitors of proteasome trypsin-like sites.EBI J Med Chem 56: 1262-75 (2013) Leiden Institute of Chemistry and Netherlands Proteomics Centre 2D 3D TSV
23320429 48 Structure-activity relationship studies of argiotoxins: selective and potent inhibitors of ionotropic glutamate receptors.EBI J Med Chem 56: 1171-81 (2013) University of Copenhagen 2D 3D TSV
23318905 23 Identification of benzofuran-3-yl(phenyl)methanones as novel SIRT1 inhibitors: binding mode, inhibitory mechanism and biological action.EBI Eur J Med Chem 60: 441-50 (2013) Chinese Academy of Sciences 2D 3D TSV
23318904 41 Design, synthesis and biological evaluation of sulfur-containing 1,1-bisphosphonic acids as antiparasitic agents.EBI Eur J Med Chem 60: 431-40 (2013) Universidad de Buenos Aires 2D 3D TSV
23317572 4 Radiolytic transformation of rotenone with potential anti-adipogenic activity.EBI Bioorg Med Chem Lett 23: 1099-103 (2013) Korea Atomic Energy Research Institute 2D 3D TSV
23317570 42 Lead optimization of a pyridine-carboxamide series as DGAT-1 inhibitors.EBI Bioorg Med Chem Lett 23: 985-8 (2013) Merck Research Laboratories 2D 3D TSV
23317569 57 Discovery of potent, selective and orally bioavailable imidazo[1,5-a]pyrazine derived ACK1 inhibitors.EBI Bioorg Med Chem Lett 23: 979-84 (2013) OSI Pharmaceuticals, LLC 2D 3D TSV
23316926 12 Discovery of a class of novel tankyrase inhibitors that bind to both the nicotinamide pocket and the induced pocket.EBI J Med Chem 56: 1341-5 (2013) Amgen Inc. 2D 3D TSV
23316863 1 Sulfated pentagalloylglucoside is a potent, allosteric, and selective inhibitor of factor XIa.EBI J Med Chem 56: 867-78 (2013) Virginia Commonwealth University 2D 3D TSV
23316803 43 Discovery and mechanism study of SIRT1 activators that promote the deacetylation of fluorophore-labeled substrate.EBI J Med Chem 56: 761-80 (2013) Chinese Academy of Sciences 2D 3D TSV
23314054 41 Fragment-based design, synthesis, and biological evaluation of N-substituted-5-(4-isopropylthiophenol)-2-hydroxynicotinamide derivatives as novel Mcl-1 inhibitors.EBI Eur J Med Chem 60: 410-20 (2013) Dalian University of Technology 2D 3D TSV
23314046 3 Identification of novel antimycobacterial chemical agents through the in silico multi-conformational structure-based drug screening of a large-scale chemical library.EBI Eur J Med Chem 60: 333-9 (2013) Kyushu Institute of Technology 2D 3D TSV
23314045 41 Inhibition of protein glycation by urea and thiourea derivatives of glycine/proline conjugated benzisoxazole analogue - synthesis and structure-activity studies.EBI Eur J Med Chem 60: 325-32 (2013) University of Mysore 2D 3D TSV
23313638 6 Total synthesis of bicyclic depsipeptides spiruchostatins C and D and investigation of their histone deacetylase inhibitory and antiproliferative activities.EBI Eur J Med Chem 60: 295-304 (2013) Tohoku Pharmaceutical University 2D 3D TSV
23313637 14 Synthesis of quinoline derivatives: discovery of a potent and selective phosphodiesterase 5 inhibitor for the treatment of Alzheimer's disease.EBI Eur J Med Chem 60: 285-94 (2013) Columbia University 2D 3D TSV
23313244 57 Pyrazole-based arylalkyne cathepsin S inhibitors. Part III: modification of P4 region.EBI Bioorg Med Chem Lett 23: 1070-4 (2013) Janssen Research& Development, L.L.C. 2D 3D TSV
23312949 22 Synthesis, biological evaluation, 3D-QSAR studies of novel aryl-2H-pyrazole derivatives as telomerase inhibitors.EBI Bioorg Med Chem Lett 23: 1091-5 (2013) Nanjing University 2D 3D TSV
23312947 22 Synthesis and evaluation of 4,5-dihydro-5-methylisoxazolin-5-carboxamide derivatives as VLA-4 antagonists.EBI Bioorg Med Chem Lett 23: 1482-5 (2013) Ranbaxy Research Laboratories 2D 3D TSV
23312943 166 Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.EBI Bioorg Med Chem Lett 23: 1051-5 (2013) Pfizer Inc. 2D 3D TSV
23312612 8 Synthesis of derivatives of the keto-pyrrolyl-difluorophenol scaffold: some structural aspects for aldose reductase inhibitory activity and selectivity.EBI Bioorg Med Chem 21: 869-73 (2013) Aristotle University of Thessaloniki 2D 3D TSV
23312611 3 Effective inhibition of acid and neutral ceramidases by novel B-13 and LCL-464 analogues.EBI Bioorg Med Chem 21: 874-82 (2013) Humboldt Universit£t zu Berlin 2D 3D TSV
23312474 36 Identification of N-acyl 4-(5-pyrimidine-2,4-dionyl)phenylalanine derivatives and their orally active prodrug esters as dual-acting alpha4-beta1 and alpha4-beta7 receptor antagonists.EBI Bioorg Med Chem Lett 23: 1026-31 (2013) Hoffmann-La Roche Inc. 2D 3D TSV
23312472 129 Highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase.EBI Bioorg Med Chem Lett 23: 1046-50 (2013) Pfizer Inc. 2D 3D TSV
23312471 31 Identification of N-acyl 4-(3-pyridonyl)phenylalanine derivatives and their orally active prodrug esters as dual actinga4ß1 anda4ß7 receptor antagonists.EBI Bioorg Med Chem Lett 23: 1036-40 (2013) Hoffmann-La Roche Inc. 2D 3D TSV
23312470 3 A comparative protease stability study of synthetic macrocyclic peptides that mimic two endocrine hormones.EBI Bioorg Med Chem Lett 23: 989-95 (2013) The College of New Jersey 2D 3D TSV
23311976 16 Evaluation of Coumarin and Neoflavone Derivatives as HCV NS5B Polymerase Inhibitors.BDB Chem Biol Drug Des 81: 607-14 (2013) UMDNJ-New Jersey Medical School 2D 3D TSV
23311862 12 Carbonic anhydrase inhibitory properties of novel sulfonamide derivatives of aminoindanes and aminotetralins.BDB J Enzyme Inhib Med Chem 29: 35-42 (2014) AtatŘrk University 2D 3D TSV
23311358 2 The 2.5Å crystal structure of the SIRT1 catalytic domain bound to nicotinamide adenine dinucleotide (NAD+) and an indole (EX527 analogue) reveals a novel mechanism of histone deacetylase inhibition.EBI J Med Chem 56: 963-9 (2013) Lilly Biotechnology Center San Diego 2D 3D TSV
23308336 13 Discovery of N-Aryl Piperazines as Selective mGlu(5) Potentiators with Efficacy in a Rodent Model Predictive of Anti-Psychotic Activity.EBI ACS Med Chem Lett 1: 433-438 (2010) TBA 2D 3D TSV
23306195 39 Thiolactomycin-based ▀-Ketoacyl-AcpM Synthase A (KasA) Inhibitors: FRAGMENT-BASED INHIBITOR DISCOVERY USING TRANSIENT ONE-DIMENSIONAL NUCLEAR OVERHAUSER EFFECT NMR SPECTROSCOPY.BDB J Biol Chem 288: 6045-52 (2013) Institute for Chemical Biology & Drug Discovery 2D 3D TSV
23306054 1 Probing the steric requirements of the¿-aminobutyric acid aminotransferase active site with fluorinated analogues of vigabatrin.EBI Bioorg Med Chem 21: 903-11 (2013) Northwestern University 2D 3D TSV
23305709 2 Pharmacokinetics, metabolism, and excretion of the glycogen synthase kinase-3 inhibitor LY2090314 in rats, dogs, and humans: a case study in rapid clearance by extensive metabolism with low circulating metabolite exposure.EBI Drug Metab Dispos 41: 714-26 (2013) Lilly Research Laboratories 2D 3D TSV
23305444 171 Discovery and evaluation of novel inhibitors of mycobacterium protein tyrosine phosphatase B from the 6-Hydroxy-benzofuran-5-carboxylic acid scaffold.EBI J Med Chem 56: 832-42 (2013) Indiana University School of Medicine 2D 3D TSV
23305300 12 A Hexylchloride-Based Catch-and-Release System for Chemical Proteomic Applications.BDB ACS Chem Biol 8: 691-9 (2013) University of Washington 2D 3D TSV
23302067 29 Fragment growing and linking lead to novel nanomolar lactate dehydrogenase inhibitors.EBI J Med Chem 56: 1023-40 (2013) ARIAD Pharmaceuticals, Inc. 2D 3D TSV
23301853 4 Benzoquinones and terphenyl compounds as phosphodiesterase-4B inhibitors from a fungus of the order Chaetothyriales (MSX 47445).EBI J Nat Prod 76: 382-7 (2013) University of North Carolina at Greensboro 2D 3D TSV
23301767 154 Substituted 4-(thiazol-5-yl)-2-(phenylamino)pyrimidines are highly active CDK9 inhibitors: synthesis, X-ray crystal structures, structure-activity relationship, and anticancer activities.EBI J Med Chem 56: 640-59 (2013) University of Nottingham 2D 3D TSV
23301703 20 Identification of GZD824 as an orally bioavailable inhibitor that targets phosphorylated and nonphosphorylated breakpoint cluster region-Abelson (Bcr-Abl) kinase and overcomes clinically acquired mutation-induced resistance against imatinib.EBI J Med Chem 56: 879-94 (2013) Chinese Academy of Sciences 2D 3D TSV
23301637 63 Targeting the binding function 3 (BF3) site of the androgen receptor through virtual screening. 2. development of 2-((2-phenoxyethyl) thio)-1H-benzimidazole derivatives.EBI J Med Chem 56: 1136-48 (2013) University of British Columbia 2D 3D TSV
23301527 97 Design, synthesis, and pharmacological characterization of N- and O-substituted 5,6,7,8-tetrahydro-4H-isoxazolo[4,5-d]azepin-3-ol analogues: novel 5-HT(2A)/5-HT(2C) receptor agonists with pro-cognitive properties.EBI J Med Chem 56: 1211-27 (2013) University of Copenhagen 2D 3D TSV
23298810 34 Synthesis and biological evaluation of substituted benzoxazoles as inhibitors of mPGES-1: use of a conformation-based hypothesis to facilitate compound design.EBI Bioorg Med Chem Lett 23: 1120-6 (2013) Pfizer Inc. 2D 3D TSV
23298277 26 Design and synthesis of potent inhibitor of apoptosis (IAP) proteins antagonists bearing an octahydropyrrolo[1,2-a]pyrazine scaffold as a novel proline mimetic.EBI J Med Chem 56: 1228-46 (2013) Takeda Pharmaceutical Company Limited 2D 3D TSV
23294830 88 Discovery of INT131: a selective PPAR¿ modulator that enhances insulin sensitivity.EBI Bioorg Med Chem 21: 979-92 (2013) Amgen, Inc. 2D 3D TSV
23294828 17 Structure-activity relationship of benzodiazepine derivatives as LXXLL peptide mimetics that inhibit the interaction of vitamin D receptor with coactivators.EBI Bioorg Med Chem 21: 993-1005 (2013) The University of Tokyo 2D 3D TSV
23294826 1 Further characterization of a putative serine protease contributing to the¿-secretase cleavage ofß-amyloid precursor protein.EBI Bioorg Med Chem 21: 1018-29 (2013) Universit£s Montpellier 1 and 2 2D 3D TSV
23294702 6 Synthesis and biological evaluation of 1-(6-methylpyridin-2-yl)-5-(quinoxalin-6-yl)-1,2,3-triazoles as transforming growth factor-ß type 1 receptor kinase inhibitors.EBI Bioorg Med Chem Lett 23: 1083-6 (2013) Ewha Womans University 2D 3D TSV
23294701 49 A novel series of N-(azetidin-3-yl)-2-(heteroarylamino)acetamide CCR2 antagonists.EBI Bioorg Med Chem Lett 23: 1063-9 (2013) Janssen Pharmaceutical Research& Development, L.L.C. 2D 3D TSV
23294698 8 Discovery of novel 1,4-dihydropyridine-based PDE4 inhibitors.EBI Bioorg Med Chem Lett 23: 1104-9 (2013) University of Hyderabad Campus 2D 3D TSV
23294348 66 Fragment-based discovery of new highly substituted 1H-pyrrolo[2,3-b]- and 3H-imidazolo[4,5-b]-pyridines as focal adhesion kinase inhibitors.EBI J Med Chem 56: 1160-70 (2013) Merck Serono Research 2D 3D TSV
23294321 2 Discovery of a potent and selective free fatty acid receptor 1 agonist with low lipophilicity and high oral bioavailability.EBI J Med Chem 56: 982-92 (2013) University of Southern Denmark 2D 3D TSV
23294255 114 Development of new cyclic plasmin inhibitors with excellent potency and selectivity.EBI J Med Chem 56: 820-31 (2013) Philipps University Marburg 2D 3D TSV
23294220 5 Attenuating Staphylococcus aureus virulence gene regulation: a medicinal chemistry perspective.EBI J Med Chem 56: 1389-404 (2013) University of Nottingham 2D 3D TSV
23294161 11 Synthesis and biological evaluation of 4-(aminomethyl)-1-hydroxypyrazole analogues of muscimol as¿-aminobutyric acid(a) receptor agonists.EBI J Med Chem 56: 993-1006 (2013) University of Copenhagen 2D 3D TSV
23291120 2 Synthesis and biological evaluation of novel coumarin-pyrazoline hybrids endowed with phenylsulfonyl moiety as antitumor agents.EBI Eur J Med Chem 60: 187-98 (2013) Cairo University 2D 3D TSV
23290254 92 Carbonic anhydrase inhibitors: benzenesulfonamides incorporating cyanoacrylamide moieties are low nanomolar/subnanomolar inhibitors of the tumor-associated isoforms IX and XII.EBI Bioorg Med Chem 21: 1396-403 (2013) Salman Bin Abdulaziz University 2D 3D TSV
23288867 2 Regiospecificity and stereospecificity of human UDP-glucuronosyltransferases in the glucuronidation of estriol, 16-epiestriol, 17-epiestriol, and 13-epiestradiol.EBI Drug Metab Dispos 41: 582-91 (2013) University of Helsinki 2D 3D TSV
23287738 73 SAR analysis of novel non-peptidic NPBWR1 (GPR7) antagonists.EBI Bioorg Med Chem Lett 23: 614-9 (2013) The Scripps Research Institute 2D 3D TSV
23287057 1 Discovery of coumarin-monastrol hybrid as potential antibreast tumor-specific agent.EBI Eur J Med Chem 60: 120-7 (2013) CSIR-Central Drug Research Institute 2D 3D TSV
23287055 20 An unprecedented reversible mode of action ofß-lactams for the inhibition of human fatty acid amide hydrolase (hFAAH).EBI Eur J Med Chem 60: 101-11 (2013) Universit£ catholique de Louvain 2D 3D TSV
23287054 46 Sulphonamides: Deserving class as MMP inhibitors?EBI Eur J Med Chem 60: 89-100 (2013) Indian Institute of Technology (BHU) 2D 3D TSV
23286832 34 Identification and characterization of small molecules as potent and specific EPAC2 antagonists.EBI J Med Chem 56: 952-62 (2013) University of Texas Medical Branch 2D 3D TSV
23286787 18 Structural characterization of amorfrutins bound to the peroxisome proliferator-activated receptor¿.EBI J Med Chem 56: 1535-43 (2013) Helmholtz Centre for Infection Research 2D 3D TSV
23286284 50 Modulation of esterified drug metabolism by tanshinones from Salvia miltiorrhiza ("Danshen").EBI J Nat Prod 76: 36-44 (2013) St. Jude Children's Research Hospital 2D 3D TSV
23286196 60 Discovery of 5-benzyl-3-phenyl-4,5-dihydroisoxazoles and 5-benzyl-3-phenyl-1,4,2-dioxazoles as potent firefly luciferase inhibitors.EBI J Med Chem 56: 1064-73 (2013) University of Eastern Finland 2D 3D TSV
23284082 2 Amide hydrolysis of a novel chemical series of microsomal prostaglandin E synthase-1 inhibitors induces kidney toxicity in the rat.EBI Drug Metab Dispos 41: 634-41 (2013) AstraZeneca 2D 3D TSV
23281966 8 Systematic exploration of dual-acting modulators from a combined medicinal chemistry and biology perspective.EBI J Med Chem 56: 1197-210 (2013) AstraZeneca 2D 3D TSV
23281927 18 Tuning the preference of thiodigalactoside- and lactosamine-based ligands to galectin-3 over galectin-1.EBI J Med Chem 56: 1350-4 (2013) Utrecht University 2D 3D TSV
23281824 118 Synthesis of (E)-8-(3-chlorostyryl)caffeine analogues leading to 9-deazaxanthine derivatives as dual A(2A) antagonists/MAO-B inhibitors.EBI J Med Chem 56: 1247-61 (2013) Universit£ degli Studi di Parma 2D 3D TSV
23281812 95 Tetrahydropyrroloquinolinone type dual inhibitors of aromatase/aldosterone synthase as a novel strategy for breast cancer patients with elevated cardiovascular risks.EBI J Med Chem 56: 460-70 (2013) Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) 2D 3D TSV
23279866 69 Antidepressant and antipsychotic activity of new quinoline- and isoquinoline-sulfonamide analogs of aripiprazole targeting serotonin 5-HT1A/5-HT2A/5-HT7 and dopamine D2/D3 receptors.EBI Eur J Med Chem 60: 42-50 (2013) Jagiellonian University Medical College 2D 3D TSV
23279865 3 Structure-based design, synthesis and evaluation of novel anthra[1,2-d]imidazole-6,11-dione derivatives as telomerase inhibitors and potential for cancer polypharmacology.EBI Eur J Med Chem 60: 29-41 (2013) National Defense Medical Center 2D 3D TSV
23279864 16 Synthesis, molecular modeling and biological evaluation of 2-aminomethyl-5-(quinolin-2-yl)-1,3,4-oxadiazole-2(3H)-thione quinolone derivatives as novel anticancer agent.EBI Eur J Med Chem 60: 23-8 (2013) Shandong University of Technology 2D 3D TSV
23279862 1 Microwave-assisted synthesis of pyrimido[4,5-b][1,6]naphthyridin-4(3H)-ones with potential antitumor activity.EBI Eur J Med Chem 60: 1-9 (2013) Universidad del Valle 2D 3D TSV
23279802 15 Synthesis and Quantum Chemical Studies of New 4-aminoquinazoline Derivatives as Aurora A/B Kinase Inhibitors.BDB Chem Biol Drug Des 81: 399-407 (2013) Southeast University 2D 3D TSV
23276831 11 Additional acetyl cholinesterase inhibitory property of diaryl pyrazoline derivatives.EBI Bioorg Med Chem Lett 23: 702-5 (2013) Birla Institute of Technology 2D 3D TSV
23276450 6 Small-molecular, non-peptide, non-ATP-competitive polo-like kinase 1 (Plk1) inhibitors with a terphenyl skeleton.EBI Bioorg Med Chem 21: 608-17 (2013) The University of Tokyo 2D 3D TSV
23276449 1 Synthesis and biological evaluation of halogenated curcumin analogs as potential nuclear receptor selective agonists.EBI Bioorg Med Chem 21: 693-702 (2013) Arizona State University 2D 3D TSV
23276448 46 Design, synthesis, and structure-activity relationship (SAR) of N-[7-(4-hydroxyphenoxy)-6-methylindan-4-yl]malonamic acids as thyroid hormone receptorß (TRß) selective agonists.EBI Bioorg Med Chem 21: 592-607 (2013) Kissei Pharmaceutical Co., Ltd 2D 3D TSV
23275802 32 Novel bivalent ligands for D2/D3 dopamine receptors: Significant co-operative gain in D2 affinity and potency.EBI ACS Med Chem Lett 3: 991-996 (2012) TBA 2D 3D TSV
23275348 8 The naphthoquinone diospyrin is an inhibitor of DNA gyrase with a novel mechanism of action.BDB J Biol Chem 288: 5149-56 (2013) John Innes Centre 2D 3D TSV
23273608 20 Design, synthesis and evaluation of novel heterodimers of donepezil and huperzine fragments as acetylcholinesterase inhibitors.EBI Bioorg Med Chem 21: 676-83 (2013) The Hong Kong University of Science and Technology 2D 3D TSV
23273606 64 Design, synthesis, and structure-activity relationships of a series of 4-benzyl-5-isopropyl-1H-pyrazol-3-ylß-D-glycopyranosides substituted with novel hydrophilic groups as highly potent inhibitors of sodium glucose co-transporter 1 (SGLT1).EBI Bioorg Med Chem 21: 748-65 (2013) Kissei Pharmaceutical Company 2D 3D TSV
23273520 93 Ligand-based discovery of N-(1,3-dioxo-1H,3H-benzo[de]isochromen-5-yl)-carboxamide and sulfonamide derivatives as thymidylate synthase A inhibitors.EBI Bioorg Med Chem Lett 23: 663-8 (2013) Universit£ degli Studi di Modena e Reggio Emilia 2D 3D TSV
23273517 53 Synthesis and biological evaluation of analogues of the kinase inhibitor nilotinib as Abl and Kit inhibitors.EBI Bioorg Med Chem Lett 23: 682-6 (2013) National Center for Advancing Translational Sciences 2D 3D TSV
23273219 17 Synthesis, molecular modeling and evaluation of novel N'-2-(4-benzylpiperidin-/piperazin-1-yl)acylhydrazone derivatives as dual inhibitors for cholinesterases and Aß aggregation.EBI Bioorg Med Chem Lett 23: 440-3 (2012) Baskent University 2D 3D TSV
23270988 4 Carbon-11 N-methyl alkylation of L-368,899 and in vivo PET imaging investigations for neural oxytocin receptors.EBI Bioorg Med Chem Lett 23: 902-6 (2013) Yerkes National Primate Research Center 2D 3D TSV
23270382 100 Dibenzosuberones as p38 mitogen-activated protein kinase inhibitors with low ATP competitiveness and outstanding whole blood activity.EBI J Med Chem 56: 241-53 (2013) University of T£bingen 2D 3D TSV
23268742 11 Bioassay-guided isolation of proanthocyanidins with antiangiogenic activities.EBI J Nat Prod 76: 29-35 (2013) Universit£ degli Studi di Salerno 2D 3D TSV
23266186 9 Inhibitory effect of novel somatostatin peptide analogues on human cancer cell growth based on the selective inhibition of DNA polymeraseß.EBI Bioorg Med Chem 21: 403-11 (2012) Kobe Gakuin University 2D 3D TSV
23266178 115 Inhibition pattern of sulfamide-related compounds in binding to carbonic anhydrase isoforms I, II, VII, XII and XIV.EBI Bioorg Med Chem 21: 1410-8 (2013) National University of La Plata 2D 3D TSV
23266177 5 Chemical, biochemical and microbiological properties of a brominated nitrovinylfuran with broad-spectrum antibacterial activity.EBI Bioorg Med Chem 21: 795-804 (2013) Heidelberg University 2D 3D TSV
23266122 47 Novel benzoxazole inhibitors of mPGES-1.EBI Bioorg Med Chem Lett 23: 907-11 (2013) Pfizer Inc. 2D 3D TSV
23266120 14 Epidithiodiketopiperazine as a pharmacophore for protein lysine methyltransferase G9a inhibitors: reducing cytotoxicity by structural simplification.EBI Bioorg Med Chem Lett 23: 733-6 (2013) RIKEN Advanced Science Institute 2D 3D TSV
23265905 9 Design and synthesis of novel 2-methyl-4,5-substitutedbenzo[f]-3,3a,4,5-tetrahydro-pyrazolo[1,5-d][1,4]oxazepin-8(7H)-one derivatives as telomerase inhibitors.EBI Bioorg Med Chem Lett 23: 720-3 (2013) Guizhou University 2D 3D TSV
23265904 54 Discovery of liver-targeted inhibitors of stearoyl-CoA desaturase (SCD1).EBI Bioorg Med Chem Lett 23: 791-6 (2013) Merck Research Laboratories 2D 3D TSV
23265903 9 Inhibition of theß-carbonic anhydrases from Mycobacterium tuberculosis with C-cinnamoyl glycosides: identification of the first inhibitor with anti-mycobacterial activity.EBI Bioorg Med Chem Lett 23: 740-3 (2013) Universidad Nacional de Rosario 2D 3D TSV
23265901 22 Synthesis and evaluation of 8-oxoadenine derivatives as potent Toll-like receptor 7 agonists with high water solubility.EBI Bioorg Med Chem Lett 23: 669-72 (2013) Dainippon Sumitomo Pharma. Co., Ltd 2D 3D TSV
23265898 20 Novel small molecule protein arginine deiminase 4 (PAD4) inhibitors.EBI Bioorg Med Chem Lett 23: 715-9 (2013) Universit£ degli Studi di Firenze 2D 3D TSV
23265896 36 Regioselective synthesis of 5- and 6-methoxybenzimidazole-1,3,5-triazines as inhibitors of phosphoinositide 3-kinase.EBI Bioorg Med Chem Lett 23: 802-5 (2013) Monash Institute of Pharmaceutical Sciences 2D 3D TSV
23265894 40 Cis-amide isosteric replacement in thienobenzoxepin inhibitors of PI3-kinase.EBI Bioorg Med Chem Lett 23: 897-901 (2013) Genentech, Inc. 2D 3D TSV
23265893 7 Heterobivalent dual-target probe for targeting GRP and Y1 receptors on tumor cells.EBI Bioorg Med Chem Lett 23: 687-92 (2013) The Ohio State University 2D 3D TSV
23265889 31 Lead optimization of a dihydropyrrolopyrimidine inhibitor against phosphoinositide 3-kinase (PI3K) to improve the phenol glucuronic acid conjugation.EBI Bioorg Med Chem Lett 23: 673-8 (2013) Chugai Pharmaceutical Co., Ltd 2D 3D TSV
23265885 30 Synthesis of new N-(arylcyclopropyl)acetamides and N-(arylvinyl)acetamides as conformationally-restricted ligands for melatonin receptors.EBI Bioorg Med Chem Lett 23: 430-4 (2012) Universit£ de Paris-Sud 2D 3D TSV
23265881 49 Design, synthesis, and evaluation of imidazo[4,5-c]pyridin-4-one derivatives with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-¿.EBI Bioorg Med Chem Lett 23: 767-72 (2013) Pfizer Inc. 2D 3D TSV
23265880 8 A new single-photon emission computed tomography (SPECT) imaging agent for serotonin transporters: [(125)I]Flip-IDAM, (2-((2-((dimethylamino)methyl)-4-iodophenyl)thio)phenyl)methanol.EBI Bioorg Med Chem Lett 23: 869-72 (2013) University of Pennsylvania 2D 3D TSV
23265878 31 Lead optimization of isocytosine-derived xanthine oxidase inhibitors.EBI Bioorg Med Chem Lett 23: 834-8 (2013) Piramal Healthcare Limited 2D 3D TSV
23265875 78 Design and synthesis of tricyclic cores for kinase inhibition.EBI Bioorg Med Chem Lett 23: 693-8 (2013) Abbott Bioresearch Center 2D 3D TSV
23265874 1 Near native binding of a fluorescent serotonin conjugate to serotonin type 3 receptors.EBI Bioorg Med Chem Lett 23: 773-5 (2013) Washington State University 2D 3D TSV
23265844 18 The discovery of novel isoflavone pan peroxisome proliferator-activated receptor agonists.EBI Bioorg Med Chem 21: 766-78 (2013) The University of Sydney 2D 3D TSV
23262035 14 Synthesis, crystal structure and antidiabetic activity of substituted (E)-3-(Benzo [d]thiazol-2-ylamino) phenylprop-2-en-1-one.EBI Eur J Med Chem 59: 304-9 (2013) North Maharashtra University 2D 3D TSV
23260576 1 Enhanced bioactivity of silybin B methylation products.EBI Bioorg Med Chem 21: 742-7 (2013) University of North Carolina at Greensboro 2D 3D TSV
23260350 49 Identification of benzofuran central cores for the inhibition of leukotriene A(4) hydrolase.EBI Bioorg Med Chem Lett 23: 811-5 (2013) Janssen Research& Development, LLC 2D 3D TSV
23260349 51 Discovery and SAR of PF-4693627, a potent, selective and orally bioavailable mPGES-1 inhibitor for the potential treatment of inflammation.EBI Bioorg Med Chem Lett 23: 1114-9 (2013) Pfizer Inc. 2D 3D TSV
23260348 91 Discovery of a new series of [1,2,4]triazolo[4,3-a]quinoxalines as dual phosphodiesterase 2/phosphodiesterase 10 (PDE2/PDE10) inhibitors.EBI Bioorg Med Chem Lett 23: 785-90 (2013) Janssen-Cilag S.A. 2D 3D TSV
23260347 58 Synthesis and evaluation of diphenylphosphinic amides and diphenylphosphine oxides as inhibitors of Kv1.5.EBI Bioorg Med Chem Lett 23: 706-10 (2013) AstraZeneca 2D 3D TSV
23259865 51 Synthesis and biological evaluation of indenoisoquinolines that inhibit both tyrosyl-DNA phosphodiesterase I (Tdp1) and topoisomerase I (Top1).EBI J Med Chem 56: 182-200 (2013) Purdue University 2D 3D TSV
23256554 16 Synthesis, pharmacology, and biostructural characterization of novela4ß2 nicotinic acetylcholine receptor agonists.EBI J Med Chem 56: 940-51 (2013) University of Copenhagen 2D 3D TSV
23256532 2 Structural-functional studies of Burkholderia cenocepacia D-glycero-ß-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.EBI J Med Chem 56: 1405-17 (2013) McMaster University 2D 3D TSV
23256033 29 A Potent and Selective Quinoxalinone-Based STK33 Inhibitor Does Not Show Synthetic Lethality in KRAS-Dependent Cells.EBI ACS Med Chem Lett 3: 1034-1038 (2012) TBA 2D 3D TSV
23253443 135 Design, optimization, and in vivo evaluation of a series of pyridine derivatives with dual NK1 antagonism and SERT inhibition for the treatment of depression.EBI Bioorg Med Chem Lett 23: 407-11 (2012) Bristol-Myers Squibb Research and Development 2D 3D TSV
23253441 3 The discovery of fused oxadiazepines as gamma secretase modulators for treatment of Alzheimer's disease.EBI Bioorg Med Chem Lett 23: 466-71 (2012) Merck Research Laboratory 2D 3D TSV
23253074 38 Optimization of inhibitors of the tyrosine kinase EphB4. 2. Cellular potency improvement and binding mode validation by X-ray crystallography.EBI J Med Chem 56: 84-96 (2013) University of Zurich 2D 3D TSV
23252794 56 Structure-activity relationships in 1,4-benzodioxan-related compounds. 11. (1) reversed enantioselectivity of 1,4-dioxane derivatives ina1-adrenergic and 5-HT1A receptor binding sites recognition.EBI J Med Chem 56: 584-8 (2013) University of Camerino 2D 3D TSV
23252745 86 Development of new cathepsin B inhibitors: combining bioisosteric replacements and structure-based design to explore the structure-activity relationships of nitroxoline derivatives.EBI J Med Chem 56: 521-33 (2013) University of Ljubljana 2D 3D TSV
23252711 46 Comparative structural and functional studies of 4-(thiazol-5-yl)-2-(phenylamino)pyrimidine-5-carbonitrile CDK9 inhibitors suggest the basis for isotype selectivity.EBI J Med Chem 56: 660-70 (2013) University of Oxford 2D 3D TSV
23252603 35 Histone deacetylase (HDAC) inhibitors with a novel connecting unit linker region reveal a selectivity profile for HDAC4 and HDAC5 with improved activity against chemoresistant cancer cells.EBI J Med Chem 56: 427-36 (2013) Heinrich Heine Universit£t 2D 3D TSV
23249297 75 Trimeric hemibastadin congener from the marine sponge Ianthella basta.EBI J Nat Prod 76: 121-5 (2013) Heinrich-Heine University 2D 3D TSV
23246356 52 MMP inhibition by barbiturate homodimers.EBI Bioorg Med Chem Lett 23: 444-7 (2012) Trinity College 2D 3D TSV
23246324 2 Induction of ABCA1 and ABCG1 expression by the liver X receptor modulator cineole in macrophages.EBI Bioorg Med Chem Lett 23: 579-83 (2012) Korea University 2D 3D TSV
23245803 87 Synthesis and structure-activity relationships of 2-hydrazinyladenosine derivatives as A(2A) adenosine receptor ligands.EBI Bioorg Med Chem 21: 436-47 (2012) University of Bonn 2D 3D TSV
23245802 7 Synthesis, molecular docking and evaluation of thiazolyl-pyrazoline derivatives containing benzodioxole as potential anticancer agents.EBI Bioorg Med Chem 21: 448-55 (2012) Nanjing University 2D 3D TSV
23245570 22 Design, synthesis and molecular docking ofa,ß-unsaturated cyclohexanone analogous of curcumin as potent EGFR inhibitors with antiproliferative activity.EBI Bioorg Med Chem 21: 388-94 (2012) Soochow University 2D 3D TSV
23245510 32 Exploring amino acids derivatives as potent, selective, and direct agonists of sphingosine-1-phosphate receptor subtype-1.EBI Bioorg Med Chem Lett 23: 472-5 (2012) Praecis Pharmaceuticals Incorporated (Currently GlaxoSmithKline) 2D 3D TSV
23245311 112 Alkylsulfanyl-1,2,4-triazoles, a new class of allosteric valosine containing protein inhibitors. Synthesis and structure-activity relationships.EBI J Med Chem 56: 437-50 (2013) TBA 2D 3D TSV
23245208 91 Discovery of piperazin-1-ylpyridazine-based potent and selective stearoyl-CoA desaturase-1 inhibitors for the treatment of obesity and metabolic syndrome.EBI J Med Chem 56: 568-83 (2013) Xenon Pharmaceuticals, Inc. 2D 3D TSV
23244564 114 Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.EBI J Med Chem 56: 15-30 (2013) Vanderbilt University School of Medicine 2D 3D TSV
23243487 65 Synthesis and SAR of 1-hydroxy-1H-benzo[d]imidazol-2(3H)-ones as Inhibitors of D-Amino Acid Oxidase.EBI ACS Med Chem Lett 3: 839-843 (2012) TBA 2D 3D TSV
23241068 84 Sulfocoumarins (1,2-benzoxathiine-2,2-dioxides): a class of potent and isoform-selective inhibitors of tumor-associated carbonic anhydrases.EBI J Med Chem 56: 293-300 (2013) Latvian Association of Human Genetics 2D 3D TSV
23241029 176 Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling.EBI J Med Chem 56: 781-95 (2013) University of California 2D 3D TSV
23240776 44 Synthesis and evaluation ofa-thymidine analogues as novel antimalarials.EBI J Med Chem 55: 10948-57 (2012) University of Dundee 2D 3D TSV
23239555 36 Boron-based inhibitors of acyl protein thioesterases 1 and 2.BDB Chembiochem 14: 115-22 (2013) Technical University of Dortmund 2D 3D TSV
23237976 162 Synthesis and biological evaluation of N-aryl-7-methoxybenzo[b]furo[3,2-d]pyrimidin-4-amines and their N-arylbenzo[b]thieno[3,2-d]pyrimidin-4-amine analogues as dual inhibitors of CLK1 and DYRK1A kinases.EBI Eur J Med Chem 59: 283-95 (2013) Universit£ de Rouen 2D 3D TSV
23237839 23 Isatin replacements applied to the highly selective, muscarinic M1 PAM ML137: continued optimization of an MLPCN probe molecule.EBI Bioorg Med Chem Lett 23: 412-6 (2012) Vanderbilt University Medical Center 2D 3D TSV
23237838 1 Synthesis and biological activity of aminophthalazines and aminopyridazines as novel inhibitors of PGE2 production in cells.EBI Bioorg Med Chem Lett 23: 528-31 (2012) The University of Arizona 2D 3D TSV
23237837 14 Identification of a novel arylpiperazine scaffold for fatty acid amide hydrolase inhibition with improved drug disposition properties.EBI Bioorg Med Chem Lett 23: 492-5 (2012) Universit£ degli Studi di Siena 2D 3D TSV
23237836 79 Synthesis and SAR of aminothiazole fused benzazepines as selective dopamine D2 partial agonists.EBI Bioorg Med Chem Lett 23: 543-7 (2012) AstraZeneca 2D 3D TSV
23237835 46 Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors.EBI Bioorg Med Chem Lett 23: 417-21 (2012) Columbia University 2D 3D TSV
23237384 9 Sulfonylureas have antifungal activity and are potent inhibitors of Candida albicans acetohydroxyacid synthase.EBI J Med Chem 56: 210-9 (2013) The University of Queensland 2D 3D TSV
23234607 17 Reporter ligand NMR screening method for 2-oxoglutarate oxygenase inhibitors.EBI J Med Chem 56: 547-55 (2013) University of Oxford 2D 3D TSV
23234271 74 Design and synthesis of diazatricyclodecane agonists of the G-protein-coupled receptor 119.EBI J Med Chem 56: 301-19 (2013) Pfizer Inc. 2D 3D TSV
23232060 31 Discovery of 4-phenyl-2-phenylaminopyridine based TNIK inhibitors.EBI Bioorg Med Chem Lett 23: 569-73 (2012) Astex Pharmaceuticals, Inc. 2D 3D TSV
23232056 16 Small molecule amides as potent ROR-¿ selective modulators.EBI Bioorg Med Chem Lett 23: 532-6 (2012) The Scripps Research Institute 2D 3D TSV
23231967 23 Selective and potent adenosine A3 receptor antagonists by methoxyaryl substitution on the N-(2,6-diarylpyrimidin-4-yl)acetamide scaffold.EBI Eur J Med Chem 59: 235-42 (2013) University of Santiago de Compostela 2D 3D TSV
23231413 22 An optimized RAD51 inhibitor that disrupts homologous recombination without requiring Michael acceptor reactivity.EBI J Med Chem 56: 254-63 (2013) University of Chicago 2D 3D TSV
23231076 30 Coumarin-based inhibitors of Bacillus anthracis and Staphylococcus aureus replicative DNA helicase: chemical optimization, biological evaluation, and antibacterial activities.EBI J Med Chem 55: 10896-908 (2012) Microbiotix Inc. 2D 3D TSV
23230954 17 Synthesis and biological evaluation of novel series of aminopyrimidine derivatives as urease inhibitors and antimicrobial agents.BDB J Enzyme Inhib Med Chem 28: 1316-23 (2013) Solapur University 2D 3D TSV
23228808 22 Development of substituted N-[3-(3-methoxylphenyl)propyl] amides as MT(2)-selective melatonin agonists: improving metabolic stability.EBI Bioorg Med Chem 21: 547-52 (2012) Hong Kong University of Science and Technology 2D 3D TSV
23227781 119 Discovery of agonists of cannabinoid receptor 1 with restricted central nervous system penetration aimed for treatment of gastroesophageal reflux disease.EBI J Med Chem 56: 220-40 (2013) AstraZeneca 2D 3D TSV
23220646 21 Design and synthesis of novel benzoheterocyclic derivatives as human acrosin inhibitors by scaffold hopping.EBI Eur J Med Chem 59: 176-82 (2013) Second Military Medical University 2D 3D TSV
23220644 50 Optimization of 5-hydroxytryptamines as dual function inhibitors targeting phospholipase A2 and leukotriene A4 hydrolase.EBI Eur J Med Chem 59: 160-7 (2013) Peking University 2D 3D TSV
23220642 30 Novel soluble myeloid cell leukemia sequence 1 (Mcl-1) inhibitor (E,E)-2-(benzylaminocarbonyl)-3-styrylacrylonitrile (4g) developed using a fragment-based approach.EBI Eur J Med Chem 59: 141-9 (2013) Dalian University of Technology 2D 3D TSV
23220641 5 Sirtuins as emerging anti-parasitic targets.EBI Eur J Med Chem 59: 132-40 (2013) Jiangsu University 2D 3D TSV
23219856 7 Synthesis and biological evaluation of some 5-arylidene-2-(1,3-thiazol-2-ylimino)-1,3-thiazolidin-4-ones as dual anti-inflammatory/antimicrobial agents.EBI Bioorg Med Chem 21: 532-9 (2012) Department of Pharmaceutical Chemistry of Aristotle University of Thessaloniki 2D 3D TSV
23219701 1 Discovery of alkenylboronic acids as neuroprotective agents affecting multiple biological targets involved in Alzheimer's disease.EBI Bioorg Med Chem Lett 23: 426-9 (2012) Universidad Complutense 2D 3D TSV
23219325 36 Novel cinnoline-based inhibitors of LRRK2 kinase activity.EBI Bioorg Med Chem Lett 23: 71-4 (2012) Elan Pharmaceuticals 2D 3D TSV
23218778 49 Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors.EBI Bioorg Med Chem 21: 28-41 (2012) Takeda Pharmaceutical Company Ltd 2D 3D TSV
23218776 45 Discovery of novela1-adrenoceptor ligands based on the antipsychotic sertindole suitable for labeling as PET ligands.EBI Bioorg Med Chem 21: 196-204 (2012) H. Lundbeck A/S 2D 3D TSV
23218775 38 A novel, potent, and orally active VLA-4 antagonist with good aqueous solubility: trans-4-[1-[[2-(5-Fluoro-2-methylphenylamino)-7-fluoro-6-benzoxazolyl]acetyl]-(5S)-[methoxy(methyl)amino]methyl-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid.EBI Bioorg Med Chem 21: 42-61 (2012) Daiichi Sankyo Co., Ltd 2D 3D TSV
23218716 20 Indoleamine 2,3-dioxygenase inhibitory activity of derivatives of marine alkaloid tsitsikammamine A.EBI Bioorg Med Chem Lett 23: 47-54 (2012) University of Namur 2D 3D TSV
23218715 36 The discovery of potent and selective 4-aminothienopyridines as B-Raf kinase inhibitors.EBI Bioorg Med Chem Lett 23: 66-70 (2012) GlaxoSmithKline Research& Development 2D 3D TSV
23218714 14 Development of an in vivo active, dual EP1 and EP3 selective antagonist based on a novel acyl sulfonamide bioisostere.EBI Bioorg Med Chem Lett 23: 37-41 (2012) Vanderbilt University School of Medicine 2D 3D TSV
23218712 29 Discovery of a novel phenylethyl benzamide glucokinase activator for the treatment of type 2 diabetes mellitus.EBI Bioorg Med Chem Lett 23: 537-42 (2012) Yuhan Research Institute 2D 3D TSV
23218605 17 Novel peptidomimetics as BACE-1 inhibitors: synthesis, molecular modeling, and biological studies.EBI Bioorg Med Chem Lett 23: 85-9 (2012) Universit£ degli Studi di Siena 2D 3D TSV
23218604 30 Synthesis and evaluation of novel ligands for the histamine H4 receptor based on a pyrrolo[2,3-d]pyrimidine scaffold.EBI Bioorg Med Chem Lett 23: 132-7 (2012) KU Leuven 2D 3D TSV
23218602 14 Fragment-based discovery of novel and selective mPGES-1 inhibitors Part 1: identification of sulfonamido-1,2,3-triazole-4,5-dicarboxylic acid.EBI Bioorg Med Chem Lett 23: 75-80 (2012) Kyung Hee University 2D 3D TSV
23218601 100 Potent inhibitors of CDK5 derived from roscovitine: synthesis, biological evaluation and molecular modelling.EBI Bioorg Med Chem Lett 23: 125-31 (2012) Universit£ Paris Descartes 2D 3D TSV
23218470 24 Facile synthesis and characterization of novel pyrazole-sulfonamides and their inhibition effects on human carbonic anhydrase isoenzymes.EBI Bioorg Med Chem 21: 21-7 (2012) Dumlupinar University 2D 3D TSV
23217060 13 Virtual Screening of CB2 Receptor Agonists from Bayesian Network and High-Throughput Docking: Structural Insights into Agonist-Modulated GPCR Features.BDB Chem Biol Drug Des 81: 442-454 (2013) Laboratoire de Chimie ThÚrapeutique 2D 3D TSV
23214979 74 3-Amido pyrrolopyrazine JAK kinase inhibitors: development of a JAK3 vs JAK1 selective inhibitor and evaluation in cellular and in vivo models.EBI J Med Chem 56: 345-56 (2013) Hoffmann-La Roche 2D 3D TSV
23214944 16 Peptide-conjugated pterins as inhibitors of ricin toxin A.EBI J Med Chem 56: 320-9 (2013) Toho University 2D 3D TSV
23214511 4 Radiosynthesis and evaluation of [¹¹C-carbonyl]-labeled carbamates as fatty acid amide hydrolase radiotracers for positron emission tomography.EBI J Med Chem 56: 201-9 (2013) Centre for Addiction and Mental Health 2D 3D TSV
23214499 24 3,6-Diamino-4-(2-halophenyl)-2-benzoylthieno[2,3-b]pyridine-5-carbonitriles are selective inhibitors of Plasmodium falciparum glycogen synthase kinase-3.EBI J Med Chem 56: 264-75 (2013) Technische Universit£t Braunschweig 2D 3D TSV
23214471 56 Discovery of 6,7-dihydro-5H-pyrrolo[2,3-a]pyrimidines as orally available G protein-coupled receptor 119 agonists.EBI J Med Chem 55: 10972-94 (2012) GlaxoSmithKline Research& Development 2D 3D TSV
23211968 7 Synthesis and biological evaluation of novel propargyl amines as potential fluorine-18 labeled radioligands for detection of MAO-B activity.EBI Bioorg Med Chem 21: 186-95 (2012) Karolinska Institutet 2D 3D TSV
23211099 4 Identification of new potent GPR119 agonists by combining virtual screening and combinatorial chemistry.EBI J Med Chem 55: 11031-41 (2012) Boehringer Ingelheim Pharma GmbH& Co. KG 2D 3D TSV
23207410 42 1,5-Diphenylpenta-2,4-dien-1-ones as potent and selective monoamine oxidase-B inhibitors.EBI Eur J Med Chem 59: 91-100 (2013) Sapienza - Universit£ di Roma 2D 3D TSV
23206987 66 3-Thiomorpholin-8-oxo-8H-acenaphtho [1,2-b] pyrrole-9-carbonitrile (S1) derivatives as pan-Bcl-2-inhibitors of Bcl-2, Bcl-xL and Mcl-1.EBI Bioorg Med Chem 21: 11-20 (2012) Dalian University of Technology 2D 3D TSV
23206986 259 QSAR studies of sulfamate and sulfamide inhibitors targeting human carbonic anhydrase isozymes I, II, IX and XII.EBI Bioorg Med Chem 21: 1404-9 (2013) Romanian Academy 2D 3D TSV
23206867 12 Design, synthesis and bioevalution of novel benzamides derivatives as HDAC inhibitors.EBI Bioorg Med Chem Lett 23: 179-82 (2012) The General Hospital of Chinese People's Liberation Army 2D 3D TSV
23206863 7 Sulfonylpiperidines as novel, antibacterial inhibitors of Gram-positive thymidylate kinase (TMK).EBI Bioorg Med Chem Lett 23: 169-73 (2012) AstraZeneca 2D 3D TSV
23206862 22 Identification of a novel benzimidazole derivative as a highly potent NPY Y5 receptor antagonist with an anti-obesity profile.EBI Bioorg Med Chem Lett 23: 90-5 (2012) Shionogi& Co., Ltd 2D 3D TSV
23206861 113 Tetrahydro-ß-carboline derivatives targeting fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channels.EBI Bioorg Med Chem Lett 23: 138-42 (2012) Sapienza Universit£ di Roma 2D 3D TSV
23202848 28 Identification of novel chromenone derivatives as interleukin-5 inhibitors.EBI Eur J Med Chem 59: 31-8 (2013) Chungnam National University 2D 3D TSV
23200256 54 Discovery of N-[[1-[2-(tert-butylcarbamoylamino)ethyl]-4-(hydroxymethyl)-4-piperidyl]methyl]-3,5-dichloro-benzamide as a selective T-type calcium channel (Cav3.2) inhibitor.EBI Bioorg Med Chem Lett 23: 119-24 (2012) AstraZeneca 2D 3D TSV
23200255 50 Phosphodiesterase inhibitors. Part 5: hybrid PDE3/4 inhibitors as dual bronchorelaxant/anti-inflammatory agents for inhaled administration.EBI Bioorg Med Chem Lett 23: 375-81 (2012) Kyorin Pharmaceutical Co., Ltd 2D 3D TSV
23200253 67 Further exploration of M1 allosteric agonists: subtle structural changes abolish M1 allosteric agonism and result in pan-mAChR orthosteric antagonism.EBI Bioorg Med Chem Lett 23: 223-7 (2012) Vanderbilt University Medical Center 2D 3D TSV
23200251 44 Restoring catalytic activity to the human carbonic anhydrase (CA) related proteins VIII, X and XI affords isoforms with high catalytic efficiency and susceptibility to anion inhibition.EBI Bioorg Med Chem Lett 23: 256-60 (2012) Kochi Medical School 2D 3D TSV
23200250 36 The effect of 17-N substituents on the activity of the opioid¿ receptor in nalfurafine derivatives.EBI Bioorg Med Chem Lett 23: 268-72 (2012) Kitasato University 2D 3D TSV
23200247 30 Hybrid fluorescent conjugates of COX-2 inhibitors: search for a COX-2 isozyme imaging cancer biomarker.EBI Bioorg Med Chem Lett 23: 163-8 (2012) University of Alberta 2D 3D TSV
23200243 5 Fluorescent ligands for adenosine receptors.EBI Bioorg Med Chem Lett 23: 26-36 (2012) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
23199485 34 Macrolactonolides: a novel class of anti-inflammatory compounds.EBI Bioorg Med Chem 21: 321-32 (2012) GlaxoSmithKline Research Centre Limited 2D 3D TSV
23199483 25 Glycosidic carbonic anhydrase IX inhibitors: a sweet approach against cancer.EBI Bioorg Med Chem 21: 1419-26 (2013) Ecole Nationale Sup£rieure de Chimie de Montpellier 2D 3D TSV
23199482 1 Ridaifen B, a tamoxifen derivative, directly binds to Grb10 interacting GYF protein 2.EBI Bioorg Med Chem 21: 311-20 (2012) Tokyo University of Science 2D 3D TSV
23199481 7 Synthesis and evaluation of 5'-modified thymidines and 5-hydroxymethyl-2'-deoxyuridines as Mycobacterium tuberculosis thymidylate kinase inhibitors.EBI Bioorg Med Chem 21: 257-68 (2012) Ghent University 2D 3D TSV
23199480 22 Chemical and microbial semi-synthesis of tetrahydroprotoberberines as inhibitors on tissue factor procoagulant activity.EBI Bioorg Med Chem 21: 62-9 (2012) China Pharmaceutical University 2D 3D TSV
23199477 47 Design, synthesis, and biological evaluation of 3-aryl-3-hydroxy-1-phenylpyrrolidine derivatives as novel androgen receptor antagonists.EBI Bioorg Med Chem 21: 70-83 (2012) Takeda Pharmaceutical Company Ltd 2D 3D TSV
23199476 36 Design, synthesis and biological evaluation of coumarin alkylamines as potent and selective dual binding site inhibitors of acetylcholinesterase.EBI Bioorg Med Chem 21: 146-52 (2012) Universit£ degli Studi di Bari Aldo Moro 2D 3D TSV
23199475 9 Synthesis and biological evaluation of¹8F labeled fluoro-oligo-ethoxylated 4-benzylpiperazine derivatives for sigma-1 receptor imaging.EBI Bioorg Med Chem 21: 215-22 (2012) Key Laboratory of Radiopharmaceuticals (Beijing Normal University) 2D 3D TSV
23199076 28 Potent, selective, and orally bioavailable inhibitors of the mammalian target of rapamycin kinase domain exhibiting single agent antiproliferative activity.EBI J Med Chem 55: 10958-71 (2012) Genentech 2D 3D TSV
23199028 1 Synthesis, biological evaluation, and molecular modeling of glycyrrhizin derivatives as potent high-mobility group box-1 inhibitors with anti-heart-failure activity in vivo.EBI J Med Chem 56: 97-108 (2013) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
23195732 4 Inhibition of the human deacylase Sirtuin 5 by the indole GW5074.EBI Bioorg Med Chem Lett 23: 143-6 (2012) University of Bayreuth 2D 3D TSV
23194448 9 Development of N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methyl-4-[11C]methylbenzamide for positron emission tomography imaging of metabotropic glutamate 1 receptor in monkey brain.EBI J Med Chem 55: 11042-51 (2012) National Institute of Radiological Sciences 2D 3D TSV
23189967 17 Discovery of salermide-related sirtuin inhibitors: binding mode studies and antiproliferative effects in cancer cells including cancer stem cells.EBI J Med Chem 55: 10937-47 (2012) Universit£ degli Studi di Roma La Sapienza 2D 3D TSV
23189922 14 Structure-activity relationship studies of orally active antimalarial 3,5-substituted 2-aminopyridines.EBI J Med Chem 55: 11022-30 (2012) University of Cape Town 2D 3D TSV
23186307 2 PPAR¿ agonist from Chromolaena odorata.EBI J Nat Prod 75: 2076-81 (2012) Hebei Medical University 2D 3D TSV
23186287 1 Design, synthesis, and biological evaluation of novel deguelin-based heat shock protein 90 (HSP90) inhibitors targeting proliferation and angiogenesis.EBI J Med Chem 55: 10863-84 (2012) Seoul National University 2D 3D TSV
23182216 2 Novel inhibitors of a Grb2 SH3C domain interaction identified by a virtual screen.EBI Bioorg Med Chem 21: 4027-33 (2013) University of Oxford 2D 3D TSV
23182090 92 Novel 2-aminooctahydrocyclopentalene-3a-carboxamides as potent CCR2 antagonists.EBI Bioorg Med Chem Lett 23: 351-4 (2012) Janssen Research and Development, LLC 2D 3D TSV
23181552 10 DNA cloning, characterization, and inhibition studies of ana-carbonic anhydrase from the pathogenic bacterium Vibrio cholerae.EBI J Med Chem 55: 10742-8 (2012) Istituto di Biochimica delle Proteine-CNR 2D 3D TSV
23181502 57 Cyanobacterial peptides as a prototype for the design of potentß-secretase inhibitors and the development of selective chemical probes for other aspartic proteases.EBI J Med Chem 55: 10749-65 (2012) University of Florida 2D 3D TSV
23177789 16 Protein tyrosine phosphatase 1B inhibitory effect by dammarane-type triterpenes from hydrolyzate of total Gynostemma pentaphyllum saponins.EBI Bioorg Med Chem Lett 23: 297-300 (2012) Shenyang Pharmaceutical University 2D 3D TSV
23177788 9 From partial to full agonism: identification of a novel 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole as a full agonist of the human GPR119 receptor.EBI Bioorg Med Chem Lett 23: 194-7 (2012) Pfizer Inc. 2D 3D TSV
23177787 59 Discovery of a selective M4 positive allosteric modulator based on the 3-amino-thieno[2,3-b]pyridine-2-carboxamide scaffold: development of ML253, a potent and brain penetrant compound that is active in a preclinical model of schizophrenia.EBI Bioorg Med Chem Lett 23: 346-50 (2012) Vanderbilt University Medical Center 2D 3D TSV
23177783 130 Synthesis and SAR of 2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-ones as 5-HT2C receptor agonists.EBI Bioorg Med Chem Lett 23: 330-5 (2012) Bristol-Myers Squibb Research and Development 2D 3D TSV
23177727 13 Trisubstituted thiophene analogues of 1-thiazolyl-2-pyrazoline, super oxidase inhibitors and free radical scavengers.EBI Bioorg Med Chem 21: 365-72 (2012) Swami Ramanand Teerth Marathwada University 2D 3D TSV
23177256 4 Pharmacophore identification of c-Myc inhibitor 10074-G5.EBI Bioorg Med Chem Lett 23: 370-4 (2012) University of Maryland 2D 3D TSV
23176753 5 Cyclic analogs of galanin and neuropeptide Y by hydrocarbon stapling.EBI Bioorg Med Chem 21: 303-10 (2012) University of Utah 2D 3D TSV
23176597 14 Structure-activity relationships and blood distribution of antiplasmodial aminopeptidase-1 inhibitors.EBI J Med Chem 55: 10909-17 (2012) INSERM 2D 3D TSV
23173744 18 Kinetic and in silico analysis of thiazolidin-based inhibitors of a-carbonic anhydrase isoenzymes.BDB J Enzyme Inhib Med Chem 28: 370-4 (2013) Ondokuz Mayis University 2D 3D TSV
23171656 23 Pyrazolo[1,5-c]quinazoline derivatives and their simplified analogues as adenosine receptor antagonists: synthesis, structure-affinity relationships and molecular modeling studies.EBI Bioorg Med Chem 21: 283-94 (2012) Universita' di Firenze 2D 3D TSV
23171045 38 New 2-(aryloxy)-3-phenylpropanoic acids as peroxisome proliferator-activated receptora/¿ dual agonists able to upregulate mitochondrial carnitine shuttle system gene expression.EBI J Med Chem 56: 60-72 (2013) Universit� degli Studi di Bari&quo 2D 3D TSV
23170970 7 Discovery of novel and ligand-efficient inhibitors of Plasmodium falciparum and Plasmodium vivax N-myristoyltransferase.EBI J Med Chem 56: 371-5 (2013) Imperial College London 2D 3D TSV
23168081 72 New selective carbonic anhydrase IX inhibitors: synthesis and pharmacological evaluation of diarylpyrazole-benzenesulfonamides.EBI Bioorg Med Chem 21: 1451-64 (2013) Univ. Lille Nord de France 2D 3D TSV
23168018 10 A rhodamine-labeled citalopram analogue as a high-affinity fluorescent probe for the serotonin transporter.EBI Bioorg Med Chem Lett 23: 323-6 (2012) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
23167691 4 Creation of an HDAC-based yeast screening method for evaluation of marine-derived actinomycetes: discovery of streptosetin A.EBI J Nat Prod 75: 2193-9 (2012) San Francisco State University 2D 3D TSV
23167654 9 Development of second-generation indole-based dynamin GTPase inhibitors.EBI J Med Chem 56: 46-59 (2013) The University of Newcastle 2D 3D TSV
23167554 28 Structural investigation of anti-Trypanosoma cruzi 2-iminothiazolidin-4-ones allows the identification of agents with efficacy in infected mice.EBI J Med Chem 55: 10918-36 (2012) Universidade Federal de Pernambuco 2D 3D TSV
23167494 18 An anthraquinone scaffold for putative, two-face Bim BH3a-helix mimic.EBI J Med Chem 55: 10735-41 (2012) Dalian University of Technology 2D 3D TSV
23164711 3 On scaffold hopping: challenges in the discovery of sulfated small molecules as mimetics of glycosaminoglycans.EBI Bioorg Med Chem Lett 23: 355-9 (2012) Virginia Commonwealth University 2D 3D TSV
23164706 7 Identification of inhibitors against interaction between pro-inflammatory sPLA2-IIA protein and integrinavß3.EBI Bioorg Med Chem Lett 23: 340-5 (2012) University of California 2D 3D TSV
23164658 78 2-Arylbenzofuran-based molecules as multipotent Alzheimer's disease modifying agents.EBI Eur J Med Chem 58: 519-32 (2012) University of Bologna 2D 3D TSV
23159568 8 Non-proteinogenic amino acids in the pThr-2 position of a pentamer peptide that confer high binding affinity for the polo box domain (PBD) of polo-like kinase 1 (Plk1).EBI Bioorg Med Chem Lett 22: 7306-8 (2012) Frederick National Laboratory for Cancer Research 2D 3D TSV
23159038 2 Characterization of human carbonic anhydrase XII stability and inhibitor binding.EBI Bioorg Med Chem 21: 1431-6 (2013) Vilnius University Institute of Biotechnology 2D 3D TSV
23153812 68 Recent advances in the development of selective human MAO-B inhibitors: (hetero)arylidene-(4-substituted-thiazol-2-yl)hydrazines.EBI Eur J Med Chem 58: 405-17 (2012) Universit£ degli Studi di Roma La Sapienza 2D 3D TSV
23153798 46 Identification of novel series of pyrazole and indole-urea based DFG-out PYK2 inhibitors.EBI Bioorg Med Chem Lett 22: 7523-9 (2012) Pfizer Inc. 2D 3D TSV
23153367 92 Free-Wilson and structural approaches to co-optimizing human and rodent isoform potency for 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitors.EBI J Med Chem 55: 10652-61 (2012) AstraZeneca 2D 3D TSV
23153282 70 Synthesis of new 7-oxycoumarin derivatives as potent and selective monoamine oxidase A inhibitors.EBI J Med Chem 55: 10424-36 (2012) National Research Center 2D 3D TSV
23153230 8 Discovery of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate (BMS-927711): an oral calcitonin gene-related peptide (CGRP) antagonist in clinical trials for treating migraine.EBI J Med Chem 55: 10644-51 (2012) Bristol-Myers Squibb Research& Development 2D 3D TSV
23153200 24 Synthesis and structure-activity relationship of (E)-phenoxyacrylic amide derivatives as hypoxia-inducible factor (HIF) 1a inhibitors.EBI J Med Chem 55: 10564-71 (2012) Dongguk University-Seoul 2D 3D TSV
23151473 60 Virtual screening and QSAR study of some pyrrolidine derivatives asa-mannosidase inhibitors for binding feature analysis.EBI Bioorg Med Chem 20: 6945-59 (2012) Universidade do Porto 687 2D 3D TSV
23151320 37 Scaffold hopping strategy toward original pyrazolines as selective CB2 receptor ligands.EBI Eur J Med Chem 58: 396-404 (2012) Avenue de l'Universit£ 2D 3D TSV
23151085 29 Design, synthesis, and pharmacological evaluation of bis-2-(5-phenylacetamido-1,2,4-thiadiazol-2-yl)ethyl sulfide 3 (BPTES) analogs as glutaminase inhibitors.EBI J Med Chem 55: 10551-63 (2012) Johns Hopkins University 2D 3D TSV
23151054 15 Rational design of highly selective spleen tyrosine kinase inhibitors.EBI J Med Chem 55: 10414-23 (2012) Hoffmann-La Roche Inc. 2D 3D TSV
23151013 56 Carbamate derivatives of indolines as cholinesterase inhibitors and antioxidants for the treatment of Alzheimer's disease.EBI J Med Chem 55: 10700-15 (2012) Bar Ilan University 2D 3D TSV
23150943 43 Chemical subtleties in small-molecule modulation of peptide receptor function: the case of CXCR3 biaryl-type ligands.EBI J Med Chem 55: 10572-83 (2012) VU University Amsterdam 2D 3D TSV
23149299 50 Design, synthesis and biological evaluation of 5-hydroxy, 5-substituted-pyrimidine-2,4,6-triones as potent inhibitors of gelatinases MMP-2 and MMP-9.EBI Eur J Med Chem 58: 368-76 (2012) Universit£ degli Studi di Bari Aldo Moro 2D 3D TSV
23149230 22 The discovery of a novel series of glucokinase activators based on a pyrazolopyrimidine scaffold.EBI Bioorg Med Chem Lett 22: 7302-5 (2012) AstraZeneca 2D 3D TSV
23149228 60 Discovery of selective biaryl ethers as PDE10A inhibitors: improvement in potency and mitigation of Pgp-mediated efflux.EBI Bioorg Med Chem Lett 22: 7371-5 (2012) Amgen Inc. 2D 3D TSV
23148598 8 Phenyltetrahydroisoquinoline-pyridinaldoxime conjugates as efficient uncharged reactivators for the dephosphylation of inhibited human acetylcholinesterase.EBI J Med Chem 55: 10791-5 (2012) Universit£ de Rouen 2D 3D TSV
23148522 55 Design, synthesis, and antidiabetic activity of 4-phenoxynicotinamide and 4-phenoxypyrimidine-5-carboxamide derivatives as potent and orally efficacious TGR5 agonists.EBI J Med Chem 55: 10475-89 (2012) Chinese Academy of Sciences 2D 3D TSV
23147077 23 Design and biological evaluation of imidazo[1,2-a]pyridines as novel and potent ASK1 inhibitors.EBI Bioorg Med Chem Lett 22: 7326-9 (2012) Takeda Pharmaceutical Company Limited 2D 3D TSV
23147076 163 Structure-activity relationships of 2-arylamido-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide derivatives as cannabinoid receptor agonists and their analgesic action.EBI Bioorg Med Chem Lett 22: 7314-21 (2012) Nycomed Pharma Pvt. Ltd 2D 3D TSV
23147075 5 Identification of novel mPGES-1 inhibitors through screening of a chemical library.EBI Bioorg Med Chem Lett 22: 7335-9 (2012) Kookmin University 2D 3D TSV
23146282 3 Analogue-based design, synthesis and docking of non-steroidal anti-inflammatory agents. Part 2: methyl sulfanyl/methyl sulfonyl substituted 2,3-diaryl-2,3-dihydro-1H-quinazolin-4-ones.EBI Bioorg Med Chem 20: 7119-27 (2012) Devi Ahilya Vishwavidyalaya 2D 3D TSV
23145909 7 Brominated aromatic furanones and related