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20980155 24 Developing dual functional allosteric modulators of GABA(A) receptors.EBI Bioorg Med Chem 18: 8374-82 (2010) AstraZeneca Pharmaceuticals 2D 3D TSV
20980154 11 Virtual screening against nuclear factor¿B (NF-¿B) of a focus library: Identification of bioactive furocoumarin derivatives inhibiting NF-¿B dependent biological functions involved in cystic fibrosis.EBI Bioorg Med Chem 18: 8341-9 (2010) BioPharmaNet 2D 3D TSV
20980153 83 Synthesis and structure-activity studies of benzyl ester meperidine and normeperidine derivatives as selective serotonin transporter ligands.EBI Bioorg Med Chem 18: 8356-64 (2010) University of New Orleans 2D 3D TSV
20979417 83 4-Oxo-1,4-dihydropyridines as selective CB2 cannabinoid receptor ligands: structural insights into the design of a novel inverse agonist series.EBI J Med Chem 53: 7918-31 (2010) Universite£? Lille-Nord de France 2D 3D TSV
20979384 35 Characterization of nicotinamidases: steady state kinetic parameters, classwide inhibition by nicotinaldehydes, and catalytic mechanism.BDB Biochemistry 49: 10421-39 (2010) Cornell University 2D 3D TSV
20979364 40 Novela3ß4 nicotinic acetylcholine receptor-selective ligands. Discovery, structure-activity studies, and pharmacological evaluation.EBI J Med Chem 53: 8187-91 (2010) SRI International 2D 3D TSV
20977238 46 Bicyclic substituted hydroxyphenylmethanones as novel inhibitors of 17ß-hydroxysteroid dehydrogenase type 1 (17ß-HSD1) for the treatment of estrogen-dependent diseases.EBI J Med Chem 53: 8176-86 (2010) Saarland University 2D 3D TSV
20974533 99 Substituted N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 ion channel blockers. Part 2.EBI Bioorg Med Chem Lett 20: 6989-92 (2010) GlaxoSmithKline Research and Development 2D 3D TSV
20974532 57 Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors.EBI Bioorg Med Chem Lett 20: 6960-5 (2010) F. Hoffmann-La Roche Ltd 2D 3D TSV
20974503 13 Synthesis and biological evaluation of N-substituted-3,5-diphenyl-2-pyrazoline derivatives as cyclooxygenase (COX-2) inhibitors.EBI Eur J Med Chem 45: 6135-8 (2010) Universit£ degli Studi di Roma La Sapienza 2D 3D TSV
20973483 2 In vivo characterization of a dual adenosine A2A/A1 receptor antagonist in animal models of Parkinson's disease.EBI J Med Chem 53: 8104-15 (2010) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
20971650 26 Discovery and synthesis of novel luteolin derivatives as DAT agonists.EBI Bioorg Med Chem 18: 7842-8 (2010) Zhengzhou University 2D 3D TSV
20971647 12 Towards a stable noeuromycin analog with a D-manno configuration: synthesis and glycosidase inhibition of D-manno-like tri- and tetrahydroxylated azepanes.EBI Bioorg Med Chem 20: 641-9 (2012) UMR CNRS 7201 2D 3D TSV
20971642 59 N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 inhibitors. Part 1.EBI Bioorg Med Chem Lett 20: 6983-8 (2010) GlaxoSmithKline Research and Development 2D 3D TSV
20971641 53 Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.EBI Bioorg Med Chem Lett 20: 7037-41 (2010) Array BioPharma Inc. 2D 3D TSV
20971005 10 Receptor agonists of macrophage migration inhibitory factor.EBI Bioorg Med Chem Lett 20: 7033-6 (2010) Yale University 2D 3D TSV
20971004 126 Synthesis and characterization of 1,3-dihydro-benzo[b][1,4]diazepin-2-one derivatives: Part 4. In vivo active potent and selective non-competitive metabotropic glutamate receptor 2/3 antagonists.EBI Bioorg Med Chem Lett 20: 6969-74 (2010) F. Hoffmann-La Roche Ltd 2D 3D TSV
20971003 50 N-substituted pyrrolidines and tetrahydrofurans as novel AMPAR positive modulators.EBI Bioorg Med Chem Lett 20: 7116-9 (2010) GlaxoSmithKline 2D 3D TSV
20971001 45 Indazole derivatives as novel bradykinin B1 receptor antagonists.EBI Bioorg Med Chem Lett 20: 7011-4 (2010) Merck Research Laboratories 2D 3D TSV
20971000 76 The synthesis and SAR of novel diarylsulfone 11ß-HSD1 inhibitors.EBI Bioorg Med Chem Lett 20: 7071-5 (2010) Amgen Inc. 2D 3D TSV
20970895 4 2-Azetidinone--a new profile of various pharmacological activities.EBI Eur J Med Chem 45: 5541-60 (2010) Barkatullah University 2D 3D TSV
20970346 10 Probing the active-site requirements of human intestinal N-terminal maltase-glucoamylase: Synthesis and enzyme inhibitory activities of a six-membered ring nitrogen analogue of kotalanol and its de-O-sulfonated derivative.EBI Bioorg Med Chem 18: 7794-8 (2010) Simon Fraser University 2D 3D TSV
20970329 8 Sulfonamide derivatives of styrylheterocycles as a potent inhibitor of COX-2-mediated prostaglandin E2 production.EBI Bioorg Med Chem Lett 20: 6938-41 (2010) Seoul National University 2D 3D TSV
20970223 10 Synthesis and biological evaluation of some thiazolylpyrazole derivatives as dual anti-inflammatory antimicrobial agents.EBI Eur J Med Chem 45: 6027-38 (2010) Alexandria University 2D 3D TSV
20966043 200 Identification of clinically used drugs that activate pregnane X receptors.EBI Drug Metab Dispos 39: 151-9 (2010) National Institutes of Health Chemical Genomics Center 2D 3D TSV
20965739 66 Conformationally constrained NR2B selective NMDA receptor antagonists derived from ifenprodil: Synthesis and biological evaluation of tetrahydro-3-benzazepine-1,7-diols.EBI Bioorg Med Chem 18: 8005-15 (2010) Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster 2D 3D TSV
20965738 78 Discovery and biological evaluation of potent, selective, orally bioavailable, pyrazine-based blockers of the Na(v)1.8 sodium channel with efficacy in a model of neuropathic pain.EBI Bioorg Med Chem 18: 7816-25 (2010) Abbott Laboratories 2D 3D TSV
20965735 5 Synthesis and SAR studies of chiral non-racemic dexoxadrol analogues as uncompetitive NMDA receptor antagonists.EBI Bioorg Med Chem 18: 7855-67 (2010) Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster 2D 3D TSV
20965726 20 5-benzyloxytryptamine as an antagonist of TRPM8.EBI Bioorg Med Chem Lett 20: 7076-9 (2010) Renovis, Inc. 2D 3D TSV
20965724 57 Identification of potent ITK inhibitors through focused compound library design including structural information.EBI Bioorg Med Chem Lett 20: 6998-7003 (2010) Nycomed GmbH 2D 3D TSV
20965620 50 Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).EBI Eur J Med Chem 45: 5919-25 (2010) ProtEra s.r.l. 2D 3D TSV
20964319 7 Citrusosides A-D and furanocoumarins with cholinesterase inhibitory activity from the fruit peels of Citrus hystrix.EBI J Nat Prod 73: 1879-83 (2010) Ramkhamhaeng University 2D 3D TSV
20964318 4 Synthesis and biological evaluation of oleanolic acid derivatives as inhibitors of protein tyrosine phosphatase 1B.EBI J Nat Prod 73: 1743-50 (2010) Xihua University 2D 3D TSV
20962348 17 Probing the active site of the deoxynucleotide N-hydrolase Rcl encoded by the rat gene c6orf108.BDB J Biol Chem 285: 41806-14 (2010) Institut Pasteur 2D 3D TSV
20961766 6 Studies toward the structural optimization of novel thiazolylhydrazone-based potent antitrypanosomal agents.EBI Bioorg Med Chem 18: 7826-35 (2010) Federal University of Pernambuco 2D 3D TSV
20961756 61 5-(pyridinon-1-yl)indazoles and 5-(furopyridinon-5-yl)indazoles as MCH-1 antagonists.EBI Bioorg Med Chem Lett 20: 7015-9 (2010) AMRI 2D 3D TSV
20961149 25 Design and synthesis of tetrahydropyridothieno[2,3-d]pyrimidine scaffold based epidermal growth factor receptor (EGFR) kinase inhibitors: the role of side chain chirality and Michael acceptor group for maximal potency.EBI J Med Chem 53: 7316-26 (2010) National Health Research Institutes 2D 3D TSV
20961090 6 Ipomotaosides A-D, resin glycosides from the aerial parts of Ipomoea batatas and their inhibitory activity against COX-1 and COX-2.EBI J Nat Prod 73: 1763-6 (2010) Tokushima Bunri University 2D 3D TSV
20961062 42 Indazolylpyrazolopyrimidine as highly potent B-Raf inhibitors with in vivo activity.EBI J Med Chem 53: 7874-8 (2010) Pfizer Inc. 2D 3D TSV
20959871 2 Identification of a Natural Product Antagonist against the Botulinum Neurotoxin Light Chain Protease.EBI ACS Med Chem Lett 1: 268-272 (2010) TBA 2D 3D TSV
20958055 133 Exploration of the active site of neuronal nitric oxide synthase by the design and synthesis of pyrrolidinomethyl 2-aminopyridine derivatives.EBI J Med Chem 53: 7804-24 (2010) Northwestern University 2D 3D TSV
20958049 12 Development, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and putative valvulopathic compounds among common drugs.EBI J Med Chem 53: 7573-86 (2010) University of North Carolina at Chapel Hill 2D 3D TSV
20954731 18 Properties and synthesis of 2-{2-fluoro (or bromo)-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low membrane permeabilizing and gastric lesion-producing activities.EBI J Med Chem 53: 7879-82 (2010) Kumamoto University 2D 3D TSV
20954721 12 Triterpenoidal alkaloids from Buxus natalensis and their acetylcholinesterase inhibitory activity.EBI J Nat Prod 73: 1858-62 (2010) The University of Winnipeg 2D 3D TSV
20952196 20 Pyrimidinylmethylphenyl glucoside as novel C-aryl glucoside SGLT2 inhibitors.EBI Bioorg Med Chem Lett 20: 7046-9 (2010) Green Cross Corporation 2D 3D TSV
20952195 62 Tetrahydrocarboline analogs as MCH-1 antagonists.EBI Bioorg Med Chem Lett 20: 7024-8 (2010) AMRI 2D 3D TSV
20951595 1 Ligand-based virtual screening and ADME-tox guided approach to identify triazolo-quinoxalines as folate cycle inhibitors.EBI Bioorg Med Chem 18: 7773-85 (2010) Università degli Studi di Perugia 2D 3D TSV
20951584 105 5-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-2(1H)-quinolinones and 3,4-dihydro-2(1H)-quinolinones: dual-acting 5-HT1 receptor antagonists and serotonin reuptake inhibitors. Part 3.EBI Bioorg Med Chem Lett 20: 7092-6 (2010) GlaxoSmithKline 2D 3D TSV
20951583 2 Antimalarial histone deacetylase inhibitors containing cinnamate or NSAID components.EBI Bioorg Med Chem Lett 20: 7080-4 (2010) The University of Queensland 2D 3D TSV
20951473 10 Design, synthesis and inhibitory activity against Mycobacterium tuberculosis thymidine monophosphate kinase of acyclic nucleoside analogues with a distal imidazoquinolinone.EBI Eur J Med Chem 45: 5910-8 (2010) Instituto de Qu£mica M£dica (CSIC) 2D 3D TSV
20951039 30 Synthesis and structure-activity relationships of tyrosine-based inhibitors of autotaxin (ATX).EBI Bioorg Med Chem Lett 20: 7132-6 (2010) University of Virginia 2D 3D TSV
20951038 3 Small molecule inhibitors of hantavirus infection.EBI Bioorg Med Chem Lett 20: 7085-91 (2010) University of New Mexico School of Medicine 2D 3D TSV
20951037 25 Substituted spiro [2.3'] oxindolespiro [3.2¿]-5,6-dimethoxy-indane-1¿-one-pyrrolidine analogue as inhibitors of acetylcholinesterase.EBI Bioorg Med Chem Lett 20: 7064-6 (2010) Universiti Sains Malaysia 2D 3D TSV
20951036 47 Synthesis and SAR of 4-aryl-1-(indazol-5-yl)pyridin-2(1H)ones as MCH-1 antagonists for the treatment of obesity.EBI Bioorg Med Chem Lett 20: 7020-3 (2010) AMRI 2D 3D TSV
20951033 59 Design, synthesis and SAR of a novel series of benzimidazoles as potent NPY Y5 antagonists.EBI Bioorg Med Chem Lett 20: 7120-3 (2010) GlaxoSmithKline 2D 3D TSV
20949929 63 Conformationally restricted homotryptamines. Part 7: 3-cis-(3-aminocyclopentyl)indoles as potent selective serotonin reuptake inhibitors.EBI J Med Chem 53: 7564-72 (2010) Bristol Myers Squibb 2D 3D TSV
20947362 3 Synthesis, biological evaluation, and molecular docking studies of 2-chloropyridine derivatives possessing 1,3,4-oxadiazole moiety as potential antitumor agents.EBI Bioorg Med Chem 18: 7836-41 (2010) Nanjing University 2D 3D TSV
20947361 16 The binding ofß-d-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors.EBI Bioorg Med Chem 18: 7911-22 (2010) National Hellenic Research Foundation 2D 3D TSV
20947360 7 Structural insights into the hot spot amino acid residues of mushroom tyrosinase for the bindings of thujaplicins.EBI Bioorg Med Chem 18: 8112-8 (2010) Institute for Theoretical Medicine, Inc. 2D 3D TSV
20947352 57 Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrimido-[4,5-d]azepines as novel TRPV1 antagonists.EBI Bioorg Med Chem Lett 20: 7137-41 (2010) Johnson& Johnson Pharmaceutical Research and Development LLC 2D 3D TSV
20947351 24 Inhibitors selective for HDAC6 in enzymes and cells.EBI Bioorg Med Chem Lett 20: 7067-70 (2010) The University of Queensland 2D 3D TSV
20947349 3 A targeted low molecular weight near-infrared fluorescent probe for prostate cancer.EBI Bioorg Med Chem Lett 20: 7124-6 (2010) Washington State University 2D 3D TSV
20945906 33 Diaryldiamines with dual inhibition of the histamine H(3) receptor and the norepinephrine transporter and the efficacy of 4-(3-(methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol in pain.EBI J Med Chem 53: 7869-73 (2010) Abbott Laboratories 2D 3D TSV
20945905 4 Design, synthesis, crystal structures, and antimicrobial activity of sulfonamide boronic acids asß-lactamase inhibitors.EBI J Med Chem 53: 7852-63 (2010) University of California San Francisco 2D 3D TSV
20943405 11 Synthesis and evaluation of 5-substituted 9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as check point 1 kinase inhibitors.EBI Bioorg Med Chem 18: 7878-89 (2010) Hokkaido University 2D 3D TSV
20943404 24 1-Bromo-3-(1',1'-dimethylalkyl)-1-deoxy-¿(8)-tetrahydrocannabinols: New selective ligands for the cannabinoid CB(2) receptor.EBI Bioorg Med Chem 18: 7809-15 (2010) Clemson University 2D 3D TSV
20943397 18 Molecular modeling study on potent and selective adenosine A(3) receptor agonists.EBI Bioorg Med Chem 18: 7923-30 (2010) University of Camerino 2D 3D TSV
20943396 5 Anticonvulsant activity of 2,4(1H)-diarylimidazoles in mice and rats acute seizure models.EBI Bioorg Med Chem 18: 7957-65 (2010) Università degli Studi di Parma 2D 3D TSV
20943395 10 4-Phenylcoumarins from Mesua elegans with acetylcholinesterase inhibitory activity.EBI Bioorg Med Chem 18: 7873-7 (2010) University of Malaya 2D 3D TSV
20943391 24 Design, synthesis and biological evaluation of quinoline amide derivatives as novel VEGFR-2 inhibitors.EBI Bioorg Med Chem Lett 20: 6653-6 (2010) Nanjing University 2D 3D TSV
20943390 40 Synthesis and biological evaluation of [D-lysine]8cyclosporin A analogs as potential anti-HCV agents.EBI Bioorg Med Chem Lett 20: 6542-6 (2010) SCYNEXIS, Inc. 2D 3D TSV
20943389 2 Triazolyl tryptoline derivatives asß-secretase inhibitors.EBI Bioorg Med Chem Lett 20: 6572-6 (2010) Mahidol University 2D 3D TSV
20943388 3 Detection of Rap1A as a yessotoxin binding protein from blood cell membranes.EBI Bioorg Med Chem Lett 20: 6443-6 (2010) Osaka University 2D 3D TSV
20943290 54 Synthesis and biological evaluation of new N-alkyl 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides as cannabinoid receptor ligands.EBI Eur J Med Chem 45: 5878-86 (2010) Sapienza Universit£ di Roma 2D 3D TSV
20942472 88 Novel spirotetracyclic zwitterionic dual H(1)/5-HT(2A) receptor antagonists for the treatment of sleep disorders.EBI J Med Chem 53: 7778-95 (2010) GlaxoSmithKline 2D 3D TSV
20942471 79 First in class, potent, and orally bioavailable NADPH oxidase isoform 4 (Nox4) inhibitors for the treatment of idiopathic pulmonary fibrosis.EBI J Med Chem 53: 7715-30 (2010) Genkyotex, S.A. 2D 3D TSV
20939767 13 Synthesis and SAR comparative studies of 2-allyl-4-methoxy-1-alkoxybenzenes as 15-lipoxygenase inhibitors.BDB J Enzyme Inhib Med Chem 26: 238-44 (2011) Mashhad University of Medical Sciences 2D 3D TSV
20939765 96 The inhibition study of human UDP-glucuronosyltransferases with cytochrome P450 selective substrates and inhibitors.BDB J Enzyme Inhib Med Chem 26: 386-93 (2011) Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences 2D 3D TSV
20939763 15 Synthesis and biological evaluation of polyhydroxy benzophenone as mushroom tyrosinase inhibitors.BDB J Enzyme Inhib Med Chem 26: 449-52 (2011) Sun Yat-sen University 2D 3D TSV
20939540 6 Isolation and characterization of minor analogues of silvestrol and other constituents from a large-scale re-collection of Aglaia foveolata.EBI J Nat Prod 73: 1873-8 (2010) The Ohio State University 2D 3D TSV
20937561 67 Halogenation of 4-hydroxy/amino-3-methoxyphenyl acetamide TRPV1 agonists showed enhanced antagonism to capsaicin.EBI Bioorg Med Chem 18: 8092-105 (2010) Seoul National University 2D 3D TSV
20937560 54 Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as selective human A(1) adenosine receptor ligands.EBI Bioorg Med Chem 18: 7890-9 (2010) Dipartimento di Scienze Farmaceutiche 2D 3D TSV
20936791 32 A diverse series of substituted benzenesulfonamides as aldose reductase inhibitors with antioxidant activity: design, synthesis, and in vitro activity.EBI J Med Chem 53: 7756-66 (2010) Aristotle University of Thessaloniki 2D 3D TSV
20936789 56 Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization.EBI J Med Chem 53: 7682-98 (2010) Institute of Cancer Research 2D 3D TSV
20934874 16 Synthesis and molecular modelling studies of prenylated pyrazolines as MAO-B inhibitors.EBI Bioorg Med Chem Lett 20: 6479-82 (2010) Universit£ di Roma La Sapienza P.le Aldo Moro 2D 3D TSV
20934789 27 Synthesis anda1-adrenoceptor antagonist activity of tamsulosin analogues.EBI Eur J Med Chem 45: 5800-7 (2010) Universit£ di Camerino 2D 3D TSV
20934348 8 BACE1 inhibitory activities of enantiomerically pure, variously substituted N-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl) arylsulfonamides.EBI Bioorg Med Chem 18: 7991-6 (2010) University of Pisa 2D 3D TSV
20934346 46 Design, synthesis and bioevaluation of dihydropyrazolo[3,4-b]pyridine and benzo[4,5]imidazo[1,2-a]pyrimidine compounds as dual KSP and Aurora-A kinase inhibitors for anti-cancer agents.EBI Bioorg Med Chem 18: 8035-43 (2010) China Pharmaceutical University 2D 3D TSV
20934342 14 Structure-activity relationships for inhibition of inosine monophosphate dehydrogenase and differentiation induction of K562 cells among the mycophenolic acid derivatives.EBI Bioorg Med Chem 18: 8106-11 (2010) Hokkaido University 2D 3D TSV
20934337 59 Tri- and tetrasubstituted imidazoles as p38a mitogen-activated protein kinase inhibitors.EBI Bioorg Med Chem Lett 20: 6671-5 (2010) Eberhard Karls University of Tübingen 2D 3D TSV
20934336 15 Kojyl thioether derivatives having both tyrosinase inhibitory and anti-inflammatory properties.EBI Bioorg Med Chem Lett 20: 6569-71 (2010) AmorePacific Corporation 2D 3D TSV
20934334 16 Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain.EBI Bioorg Med Chem Lett 20: 6379-83 (2010) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
20934333 2 Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists.EBI Bioorg Med Chem Lett 20: 6375-8 (2010) Icagen, Inc. 2D 3D TSV
20934332 3 An in situ oxidation strategy towards overcoming hERG affinity.EBI Bioorg Med Chem Lett 20: 6400-4 (2010) Pfizer Inc. 2D 3D TSV
20934331 23 Identification of 2-oxo-N-(phenylmethyl)-4-imidazolidinecarboxamide antagonists of the P2X(7) receptor.EBI Bioorg Med Chem Lett 20: 6370-4 (2010) GlaxoSmithKline 2D 3D TSV
20933419 68 Inhibition of Bfl-1 with N-aryl maleimides.EBI Bioorg Med Chem Lett 20: 6560-4 (2010) Human BioMolecular Research Institute 2D 3D TSV
20933417 7 Syntheses of fluorescent imidazoquinoline conjugates as probes of Toll-like receptor 7.EBI Bioorg Med Chem Lett 20: 6384-6 (2010) University of Kansas 2D 3D TSV
20933416 33 N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase.EBI Bioorg Med Chem Lett 20: 6495-9 (2010) Università G. d'Annunzio 2D 3D TSV
20933415 50 Functionalized benzophenone, thiophene, pyridine, and fluorene thiosemicarbazone derivatives as inhibitors of cathepsin L.EBI Bioorg Med Chem Lett 20: 6610-5 (2010) Baylor University 2D 3D TSV
20933414 25 Design, synthesis, and structure-activity relationship studies of N-arylsulfonyl morpholines as¿-secretase inhibitors.EBI Bioorg Med Chem Lett 20: 6606-9 (2010) Merck Research Lab. 2D 3D TSV
20933413 74 2-Methyl-3-furanyl-4H-1,2,4-triazol-3-ylthioamides: a new class of selective orexin 2 antagonists.EBI Bioorg Med Chem Lett 20: 6405-7 (2010) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
20933412 83 2-Aryl benzimidazoles: human SCD1-specific stearoyl coenzyme-A desaturase inhibitors.EBI Bioorg Med Chem Lett 20: 6366-9 (2010) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
20933411 69 Discovery of MK-0952, a selective PDE4 inhibitor for the treatment of long-term memory loss and mild cognitive impairment.EBI Bioorg Med Chem Lett 20: 6387-93 (2010) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
20933410 22 Discovery of highly potent and efficacious MC4R agonists with spiroindane N-Me-1,2,4-triazole privileged structures for the treatment of obesity.EBI Bioorg Med Chem Lett 20: 6524-32 (2010) Merck Research Laboratories 2D 3D TSV
20933409 50 Arylpiperazine-containing pyrimidine 4-carboxamide derivatives targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant.EBI Bioorg Med Chem Lett 20: 6439-42 (2010) Green Cross Corporation 2D 3D TSV
20932767 66 Building a MCHR1 homology model provides insight into the receptor-antagonist contacts that are important for the development of new anti-obesity agents.EBI Bioorg Med Chem 18: 7365-79 (2010) Universidad de Navarra 2D 3D TSV
20932759 100 4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors.EBI Bioorg Med Chem Lett 20: 6489-94 (2010) Nerviano Medical Sciences srl 2D 3D TSV
20932758 39 Development of novel inhibitors targeting HIF-1a towards anticancer drug discovery.EBI Bioorg Med Chem Lett 20: 6426-9 (2010) Piramal Life Sciences 2D 3D TSV
20932750 65 1,2-diamino-ethane-substituted-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepines as TRPV1 antagonists with improved properties.EBI Bioorg Med Chem Lett 20: 7142-6 (2010) Johnson& Johnson Pharmaceutical Research and Development LLC 2D 3D TSV
20932747 61 The rational design of a novel potent analogue of the 5'-AMP-activated protein kinase inhibitor compound C with improved selectivity and cellular activity.EBI Bioorg Med Chem Lett 20: 6394-9 (2010) Ansaris 2D 3D TSV
20932746 30 Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution.EBI Bioorg Med Chem Lett 20: 6483-8 (2010) Vernalis (R&D) Ltd 2D 3D TSV
20932745 26 Synthesis and pharmacological activity of 1,3,6-trisubstituted-4-oxo-1,4-dihydroquinoline-2-carboxylic acids as selective ET(A) antagonists.EBI Bioorg Med Chem Lett 20: 6840-4 (2010) St. John's University 2D 3D TSV
20932609 26 Synthesis of novel chiral¿2-isoxazoline derivatives related to ABT-418 and estimation of their affinity at neuronal nicotinic acetylcholine receptor subtypes.EBI Eur J Med Chem 45: 5594-601 (2010) Universit£ degli Studi di Milano 2D 3D TSV
20932009 127 5-Piperazinyl-3-sulfonylindazoles as potent and selective 5-hydroxytryptamine-6 antagonists.EBI J Med Chem 53: 7639-46 (2010) Wyeth Research 2D 3D TSV
20931980 70 Identification of non-peptide malignant brain tumor (MBT) repeat antagonists by virtual screening of commercially available compounds.EBI J Med Chem 53: 7625-31 (2010) University of North Carolina at Chapel Hill 2D 3D TSV
20931971 155 Discovery of dual inducible/neuronal nitric oxide synthase (iNOS/nNOS) inhibitor development candidate 4-((2-cyclobutyl-1H-imidazo[4,5-b]pyrazin-1-yl)methyl)-7,8-difluoroquinolin-2(1H)-one (KD7332) part 2: identification of a novel, potent, and selective series of benzimidazole-quinolinone iNOS/nNOEBI J Med Chem 53: 7739-55 (2010) Kalypsys, Inc 2D 3D TSV
20931963 112 Discovery of a novel 5-HT(3) antagonist/5-HT(1A) agonist 3-amino-5,6,7,8-tetrahydro-2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}quinazolin-4(3H)-one (TZB-30878) as an orally bioavailable agent for irritable bowel syndrome.EBI J Med Chem 53: 7549-63 (2010) ASKA Pharmaceutical Co, Ltd 2D 3D TSV
20929256 27 Rational design, synthesis, and evaluation of new selective inhibitors of microbial class II (zinc dependent) fructose bis-phosphate aldolases.EBI J Med Chem 53: 7836-42 (2010) Univ Paris-Sud 2D 3D TSV
20926301 77 Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.EBI Bioorg Med Chem 18: 7357-64 (2010) Institute of Biotechnology 2D 3D TSV
20926294 65 3-Urea-1-(phenylmethyl)-pyridones as novel, potent, and selective EP3 receptor antagonists.EBI Bioorg Med Chem Lett 20: 6744-7 (2010) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
20926163 32 Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors.EBI Eur J Med Chem 45: 5612-20 (2010) Tianjin University of Science and Technology 2D 3D TSV
20926162 14 Old phenothiazine and dibenzothiadiazepine derivatives for tomorrow's neuroprotective therapies against neurodegenerative diseases.EBI Eur J Med Chem 45: 6152-8 (2010) Instituto de Qu£mica M£dica 2D 3D TSV
20926161 21 Novel alkyl- and arylcarbamate derivatives with N-benzylpiperidine and N-benzylpiperazine moieties as cholinesterases inhibitors.EBI Eur J Med Chem 45: 5602-11 (2010) Jagiellonian University Medical College 2D 3D TSV
20925434 43 Novel 1',1'-chain substituted hexahydrocannabinols: 9ß-hydroxy-3-(1-hexyl-cyclobut-1-yl)-hexahydrocannabinol (AM2389) a highly potent cannabinoid receptor 1 (CB1) agonist.EBI J Med Chem 53: 6996-7010 (2010) Northeastern University 2D 3D TSV
20925433 21 Toward the development of innovative bifunctional agents to induce differentiation and to promote apoptosis in leukemia: clinical candidates and perspectives.EBI J Med Chem 53: 6779-810 (2010) Aristotle University of Thessaloniki 2D 3D TSV
20925410 92 Fruitful adrenergica(2C)-agonism/a(2A)-antagonism combination to prevent and contrast morphine tolerance and dependence.EBI J Med Chem 53: 7825-35 (2010) Universita` di Camerino 2D 3D TSV
20921316 10 Mechanistic studies of the inactivation of TEM-1 and P99 by NXL104, a novel non-beta-lactam beta-lactamase inhibitor.EBI Antimicrob Agents Chemother 54: 5132-8 (2010) Novexel SA 2D 3D TSV
20919678 109 Design, synthesis, and evaluation of indolinones as inhibitors of the transforming growth factorß receptor I (TGFßRI).EBI J Med Chem 53: 7287-95 (2010) Boehringer Ingelheim Pharma GmbH& Co KG 2D 3D TSV
20889498 23 Structural and biochemical characterization of Mycobacterium tuberculosis CYP142: evidence for multiple cholesterol 27-hydroxylase activities in a human pathogen.BDB J Biol Chem 285: 38270-82 (2010) Manchester Interdisciplinary Biocentre 2D 3D TSV
20889348 9 Fluorescent-tagged sp2-iminosugars with potentß-glucosidase inhibitory activity.EBI Bioorg Med Chem 18: 7439-45 (2010) Universidad de Sevilla 2D 3D TSV
20889347 14 3D QSAR study, synthesis, and in vitro evaluation of (+)-5-FBVM as potential PET radioligand for the vesicular acetylcholine transporter (VAChT).EBI Bioorg Med Chem 18: 7659-67 (2010) INSERM 2D 3D TSV
20889345 94 4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII.EBI Bioorg Med Chem 18: 7413-21 (2010) Vilnius University 2D 3D TSV
20889341 59 Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists.EBI Bioorg Med Chem Lett 20: 6538-41 (2010) AMRI 2D 3D TSV
20889239 5 Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity.EBI Eur J Med Chem 45: 5767-72 (2010) Universidad de la Rep£blica 2D 3D TSV
20888766 50 Novel selective anti-androgens with a diphenylpentane skeleton.EBI Bioorg Med Chem Lett 20: 6661-6 (2010) The University of Tokyo 2D 3D TSV
20888765 15 Bromophenols as Candida albicans isocitrate lyase inhibitors.EBI Bioorg Med Chem Lett 20: 6644-8 (2010) Seoul National University 2D 3D TSV
20888763 8 Synthesis and evaluation of bivalent, peptidomimetic antagonists of theavß3 integrins.EBI Bioorg Med Chem Lett 20: 6577-80 (2010) The Methodist Hospital Research Institute 2D 3D TSV
20888762 7 Identification of a red-emitting fluorescent ligand for in vitro visualization of human serotonin 5-HT(1A) receptors.EBI Bioorg Med Chem Lett 20: 6628-32 (2010) Università degli Studi di Bari A. Moro 2D 3D TSV
20888243 12 Design of more potent squalene synthase inhibitors with multiple activities.EBI Bioorg Med Chem 18: 7402-12 (2010) University of Athens 2D 3D TSV
20888240 254 Design, synthesis, and subtype selectivity of 3,6-disubstitutedß-carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse.EBI Bioorg Med Chem 18: 7548-64 (2010) University of Wisconsin-Milwaukee 2D 3D TSV
20888225 17 Discovery of a vorapaxar analog with increased aqueous solubility.EBI Bioorg Med Chem Lett 20: 6676-9 (2010) Merck Research Laboratories 2D 3D TSV
20888086 12 Convenient synthesis and biological profile of 5-amino-substituted 1,2,4-oxadiazole derivatives.EBI Eur J Med Chem 45: 5635-45 (2010) Democritus University of Thrace 2D 3D TSV
20884208 2 Design and synthesis of novel pyrimidine hydroxamic acid inhibitors of histone deacetylases.EBI Bioorg Med Chem Lett 20: 6657-60 (2010) Chroma Therapeutics 2D 3D TSV
20883026 3 An o-aminoanilide analogue of 1a,25-dihydroxyvitamin D(3) functions as a strong vitamin D receptor antagonist.EBI J Med Chem 53: 7461-5 (2010) McGill University 2D 3D TSV
20882962 36 Targeted mutations of Bacillus anthracis dihydrofolate reductase condense complex structure-activity relationships.EBI J Med Chem 53: 7327-36 (2010) University of Connecticut 2D 3D TSV
20880712 69 Design, solid-phase synthesis, and biological evaluation of novel 1,5-diarylpyrrole-3-carboxamides as carbonic anhydrase IX inhibitors.EBI Bioorg Med Chem 18: 7392-401 (2010) Univ Lille Nord de France 2D 3D TSV
20880707 13 Identification of 9-fluoro substituted (-)-cytisine derivatives as ligands with high affinity for nicotinic receptors.EBI Bioorg Med Chem Lett 20: 6667-70 (2010) ENSICAEN-Université de Caen Basse-Normandie 2D 3D TSV
20880704 200 Design and synthesis of aminohydantoins as potent and selective humanß-secretase (BACE1) inhibitors with enhanced brain permeability.EBI Bioorg Med Chem Lett 20: 6597-605 (2010) Pfizer Inc. 2D 3D TSV
20880702 35 Berberine derivatives, with substituted amino groups linked at the 9-position, as inhibitors of acetylcholinesterase/butyrylcholinesterase.EBI Bioorg Med Chem Lett 20: 6649-52 (2010) Sun Yat-sen University 2D 3D TSV
20879744 4 (Z)-3-butylidenephthalide from Ligusticum porteri , ana-glucosidase inhibitor.EBI J Nat Prod 74: 314-20 (2011) Universidad Nacional Auto£?noma de Me£?xico 2D 3D TSV
20879713 6 Kinetics and inhibition of nicotinamidase from Mycobacterium tuberculosis.BDB Biochemistry 49: 9613-9 (2010) Albert Einstein College of Medicine 2D 3D TSV
20875744 6 Synthesis and biological evaluation of radio-iodinated benzimidazoles as SPECT imaging agents for NR2B subtype of NMDA receptor.EBI Bioorg Med Chem 18: 7497-506 (2010) Hamamatsu University School of Medicine 2D 3D TSV
20875743 90 Discovery of {1-[4-(2-{hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-1H-benzimidazol-1-yl)piperidin-1-yl]cyclooctyl}methanol, systemically potent novel non-peptide agonist of nociceptin/orphanin FQ receptor as analgesic for the treatment of neuropathic pain: design, synthesis, and structure-activity relaEBI Bioorg Med Chem 18: 7675-99 (2010) Pfizer Inc. 2D 3D TSV
20875738 9 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidines as novel class of potent and highly selective CaMKII inhibitors.EBI Bioorg Med Chem Lett 20: 6696-8 (2010) Dainippon Sumitomo Pharma Co., Ltd 2D 3D TSV
20873792 16 Novel agonists and antagonists for human protease activated receptor 2.EBI J Med Chem 53: 7428-40 (2010) The University of Queensland 2D 3D TSV
20873775 18 Assessment of structurally diverse philanthotoxin analogues for inhibitory activity on ionotropic glutamate receptor subtypes: discovery of nanomolar, nonselective, and use-dependent antagonists.EBI J Med Chem 53: 7441-51 (2010) University of Copenhagen 2D 3D TSV
20873740 111 Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding.EBI J Med Chem 53: 7296-315 (2010) Nerviano Medical Sciences Srl 2D 3D TSV
20873719 12 Design, synthesis, radiolabeling, and in vivo evaluation of carbon-11 labeled N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a potential positron emission tomography tracer for the dopamine D(4) receptors.EBI J Med Chem 53: 7344-55 (2010) Universita` degli Studi di Bari A Moro 2D 3D TSV
20870413 14 Synthesis and evaluation of benzoxazole derivatives as 5-lipoxygenase inhibitors.EBI Bioorg Med Chem 18: 7580-5 (2010) Ewha Womans University 2D 3D TSV
20870405 31 Discovery of a potent and selective Bcl-2 inhibitor using SAR by NMR.EBI Bioorg Med Chem Lett 20: 6587-91 (2010) Abbott Laboratories 2D 3D TSV
20869793 24 Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors.EBI Eur J Med Chem 45: 5420-7 (2010) Konkuk University 2D 3D TSV
20869254 1 9-Dihydroerythromycin ethers as motilin agonists--developing structure-activity relationships for potency and safety.EBI Bioorg Med Chem 18: 7651-8 (2010) Kosan Biosciences, Inc. 2D 3D TSV
20869242 46 Discovery of 2-aminoimidazopyridine adenosine A(2A) receptor antagonists.EBI Bioorg Med Chem Lett 20: 6845-9 (2010) Ligand Pharmaceuticals, Inc. 2D 3D TSV
20866075 87 Discovery of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1.EBI J Med Chem 53: 7392-404 (2010) National Human Genome Research Institute 2D 3D TSV
20864344 110 Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1.EBI Bioorg Med Chem Lett 20: 6725-9 (2010) Vitae Pharmaceuticals 2D 3D TSV
20864339 29 Antidotes to anthrax lethal factor intoxication. Part 1: Discovery of potent lethal factor inhibitors with in vivo efficacy.EBI Bioorg Med Chem Lett 20: 6850-3 (2010) PanThera Biopharma, LLC 2D 3D TSV
20860527 24 Synthesis and characterisation of two novel proton transfer compounds and their inhibition studies on carbonic anhydrase isoenzymes.BDB J Enzyme Inhib Med Chem 26: 104-14 (2011) Dumlupinar University 2D 3D TSV
20860381 61 Novel pyridylmethylamines as highly selective 5-HT(1A) superagonists.EBI J Med Chem 53: 7167-79 (2010) Friedrich Alexander University 2D 3D TSV
20860370 83 Discovery of 1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one as a highly potent, selective mammalian target of rapamycin (mTOR) inhibitor for the treatment of cancer.EBI J Med Chem 53: 7146-55 (2010) Dana Farber Cancer Institute 2D 3D TSV
20857914 95 Design and synthesis of prolylcarboxypeptidase (PrCP) inhibitors to validate PrCP as a potential target for obesity.EBI J Med Chem 53: 7251-63 (2010) Merck Research Laboratories 2D 3D TSV
20857912 21 Structure-activity relationship study of first selective inhibitor of excitatory amino acid transporter subtype 1: 2-Amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (UCPH-101).EBI J Med Chem 53: 7180-91 (2010) University of Copenhagen 2D 3D TSV
20857909 176 Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with subnanomolar affinity fora(1)-adrenoceptors.EBI J Med Chem 53: 7021-34 (2010) University of Copenhagen 2D 3D TSV
20855214 6 2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections.EBI Bioorg Med Chem 18: 7475-85 (2010) University of London 2D 3D TSV
20855212 56 Evaluation of amide replacements in CCR5 antagonists as a means to increase intrinsic permeability. Part 2: SAR optimization and pharmacokinetic profile of a homologous azacyle series.EBI Bioorg Med Chem Lett 20: 6802-7 (2010) Roche Palo Alto 2D 3D TSV
20855211 91 Subtype-selective Na(v)1.8 sodium channel blockers: identification of potent, orally active nicotinamide derivatives.EBI Bioorg Med Chem Lett 20: 6812-5 (2010) Abbott Laboratories 2D 3D TSV
20855207 26 Discovery of orally bioavailable imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors.EBI Bioorg Med Chem Lett 20: 6739-43 (2010) Merck Research Laboratories 2D 3D TSV
20853847 39 Aldehyde oxidase: an enzyme of emerging importance in drug discovery.EBI J Med Chem 53: 8441-60 (2010) Pfizer Inc. 2D 3D TSV
20851614 22 Synthesis of novel 3-amino and 29-hydroxamic acid derivatives of glycyrrhetinic acid as selective 11ß-hydroxysteroid dehydrogenase 2 inhibitors.EBI Bioorg Med Chem 18: 7522-41 (2010) University of Natural Resources and Applied Life Sciences 2D 3D TSV
20851601 28 Discovery of N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4,5-dihydro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-6-yl]-N-isopropylacetamide, an orally active, gut-selective CCK1 receptor agonist for the potential treatment of obesity.EBI Bioorg Med Chem Lett 20: 6797-801 (2010) Pfizer Inc. 2D 3D TSV
20851599 18 Design, synthesis and structure-activity relationship of novel quinoxalin-2-carboxamides as 5-HT3 receptor antagonists for the management of depression.EBI Bioorg Med Chem Lett 20: 6773-6 (2010) Birla Institute of Technology and Science 2D 3D TSV
20850973 12 Novel CGRP receptor antagonists from central amide replacements causing a reversal of preferred chirality.EBI Bioorg Med Chem Lett 20: 6827-30 (2010) Merck& Co. 2D 3D TSV
20850972 11 Rational design of novel pyrrolidine derivatives as orally active neurokinin-3 receptor antagonists.EBI Bioorg Med Chem Lett 20: 6735-8 (2010) F. Hoffmann-La Roche Ltd 2D 3D TSV
20850970 27 Novel thiazolidinedione derivatives with anti-obesity effects: dual action as PTP1B inhibitors and PPAR-¿ activators.EBI Bioorg Med Chem Lett 20: 6758-63 (2010) Inha University 2D 3D TSV
20850969 33 Expansion of SAR studies on triaryl bis sulfone cannabinoid CB2 receptor ligands.EBI Bioorg Med Chem Lett 20: 6785-9 (2010) Merck Research Laboratories 2D 3D TSV
20850315 17 Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors.EBI Bioorg Med Chem Lett 20: 6203-7 (2010) Singapore Polytechnic 2D 3D TSV
20850311 9 Indole alkaloids from Ervatamia hainanensis with potent acetylcholinesterase inhibition activities.EBI Bioorg Med Chem Lett 20: 6185-7 (2010) Zhejiang University 2D 3D TSV
20850307 27 Design and synthesis of KNT-127, ad-opioid receptor agonist effective by systemic administration.EBI Bioorg Med Chem Lett 20: 6302-5 (2010) Kitasato University 2D 3D TSV
20850304 19 Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.EBI Bioorg Med Chem Lett 20: 6306-9 (2010) Stony Brook University 2D 3D TSV
20850301 68 Inhibitors of the tyrosine kinase EphB4. Part 3: identification of non-benzodioxole-based kinase inhibitors.EBI Bioorg Med Chem Lett 20: 6242-5 (2010) AstraZeneca 2D 3D TSV
20850300 45 Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.EBI Bioorg Med Chem Lett 20: 6268-72 (2010) Sanofi-Aventis Deutschland GmbH 2D 3D TSV
20850205 27 Structure-based optimization and biological evaluation of human 20a-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors.EBI Eur J Med Chem 45: 5309-17 (2010) Monash University (Parkville Campus) 2D 3D TSV
20846865 80 Quantitative structure-activity relationship studies of threo-methylphenidate analogs.EBI Bioorg Med Chem 18: 7221-38 (2010) Institute of Technology 2D 3D TSV
20846863 23 New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold.EBI Bioorg Med Chem Lett 20: 6213-6 (2010) INSERM 2D 3D TSV
20846861 20 Discovery of a series of potent, orally activea,a-disubstituted piperidine NK(1) antagonists.EBI Bioorg Med Chem Lett 20: 6313-5 (2010) Merck Research Laboratories 2D 3D TSV
20846091 3 A FLT3-inhibitory constituent from the rhizomes of Anemarrhena asphodeloides.BDB J Enzyme Inhib Med Chem 26: 445-8 (2011) Gyeongsang National University 2D 3D TSV
20845959 94 Synthesis and biological evaluation of bivalent ligands for the cannabinoid 1 receptor.EBI J Med Chem 53: 7048-60 (2010) Research Triangle Institute 2D 3D TSV
20845907 14 Development of molecular probes for the human 5-HT(6) receptor.EBI J Med Chem 53: 7095-106 (2010) Universidad Complutense deMadrid 2D 3D TSV
20843696 12 Improvement of water-solubility of biarylcarboxylic acid peroxisome proliferator-activated receptor (PPAR)d-selective partial agonists by disruption of molecular planarity/symmetry.EBI Bioorg Med Chem 18: 7164-73 (2010) The University of Tokyo 2D 3D TSV
20843694 3 Design, synthesis, biological evaluation, and modeling of a non-carbohydrate antagonist of the myelin-associated glycoprotein.EBI Bioorg Med Chem 18: 7239-51 (2010) University of Basel 2D 3D TSV
20843691 26 Indole- and benzothiophene-based histamine H3 antagonists.EBI Bioorg Med Chem Lett 20: 6226-30 (2010) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
20843690 60 Piperidine-based renin inhibitors: upper chain optimization.EBI Bioorg Med Chem Lett 20: 6291-6 (2010) Actelion Pharmaceuticals Ltd 2D 3D TSV
20843688 8 'Click' assembly of selective inhibitors for MAO-A.EBI Bioorg Med Chem Lett 20: 6222-5 (2010) Zhejiang University 2D 3D TSV
20843687 60 Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.EBI Bioorg Med Chem Lett 20: 6237-41 (2010) Merck Research Laboratories 2D 3D TSV
20843686 99 Design and optimization of new piperidines as renin inhibitors.EBI Bioorg Med Chem Lett 20: 6286-90 (2010) Actelion Pharmaceuticals Ltd 2D 3D TSV
20839777 25 Positive allosteric modulators of thea-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor.EBI J Med Chem 53: 7271-9 (2010) Merck Research Laboratories 2D 3D TSV
20839776 105 Bioisosteric replacement leading to biologically active [2.2]paracyclophanes with altered binding profiles for aminergic G-protein-coupled receptors.EBI J Med Chem 53: 7219-28 (2010) Friedrich Alexander University 2D 3D TSV
20839775 60 Exploration of the amine terminus in a novel series of 1,2,4-triazolo-3-yl-azabicyclo[3.1.0]hexanes as selective dopamine D3 receptor antagonists.EBI J Med Chem 53: 7129-39 (2010) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
20836557 31 Discovery of small molecule inhibitors of the PH domain leucine-rich repeat protein phosphatase (PHLPP) by chemical and virtual screening.EBI J Med Chem 53: 6899-911 (2010) University of California San Diego 2D 3D TSV
20836515 2 An Optimized Immunoaffinity Fluorescent Method for Natural Product Target Elucidation.EBI J Nat Prod (2010) University of California 2D 3D TSV
20833551 54 N-phenyl-N'-[4-(5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)phenyl]ureas as novel inhibitors of VEGFR and FGFR kinases.EBI Bioorg Med Chem 18: 7150-63 (2010) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
20833547 19 Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells.EBI Bioorg Med Chem Lett 20: 5988-93 (2010) Institute of Cancer Research 2D 3D TSV
20833546 6 Paraoxon, 4-nitrophenyl phosphate and acetate are substrates ofa- but not ofß-,¿- and¿-carbonic anhydrases.EBI Bioorg Med Chem Lett 20: 6208-12 (2010) Università degli Studi di Firenze 2D 3D TSV
20833542 16 Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase.EBI Bioorg Med Chem Lett 20: 6258-61 (2010) Northwestern University 2D 3D TSV
20833055 44 Design, synthesis, and evaluation of 5-methyl-4-phenoxy-5H-pyrrolo[3,2-d]pyrimidine derivatives: novel VEGFR2 kinase inhibitors binding to inactive kinase conformation.EBI Bioorg Med Chem 18: 7260-73 (2010) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
20833043 28 Investigation of 4-piperidinols as novel H3 antagonists.EBI Bioorg Med Chem Lett 20: 6246-9 (2010) Athersys Inc. 2D 3D TSV
20833042 51 Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors.EBI Bioorg Med Chem Lett 20: 6273-6 (2010) Bristol-Myers Squibb Research and Development 2D 3D TSV
20833041 40 Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model.EBI Bioorg Med Chem Lett 20: 6231-6 (2010) Elan Pharmaceuticals 2D 3D TSV
20833039 37 Novel azulene-based derivatives as potent multi-receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 20: 6129-32 (2010) Industrial Technology Research Institute 2D 3D TSV
20833038 98 Discovery of pyrrolopyridazines as novel DGAT1 inhibitors.EBI Bioorg Med Chem Lett 20: 6030-3 (2010) Amgen Inc. 2D 3D TSV
20833036 221 Thienopyrimidines asß3-adrenoceptor agonists: hit-to-lead optimization.EBI Bioorg Med Chem Lett 20: 6108-15 (2010) 4SC AG 2D 3D TSV
20832326 2 Synthesis and biological evaluation of a series of aromatic bisphosphonates.EBI Bioorg Med Chem 18: 7212-20 (2010) University of Iowa 2D 3D TSV
20832307 43 Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.EBI Bioorg Med Chem Lett 20: 5984-7 (2010) Hoffmann-La Roche Inc. 2D 3D TSV
20832306 64 Design and synthesis of a new class of malonyl-CoA decarboxylase inhibitors with anti-obesity and anti-diabetic activities.EBI Bioorg Med Chem Lett 20: 6088-92 (2010) Merck Research Laboratories 2D 3D TSV
20832301 6 Isoform-selective inhibition of chrysin towards human cytochrome P450 1A2. Kinetics analysis, molecular docking, and molecular dynamics simulations.EBI Bioorg Med Chem Lett 20: 6008-12 (2010) Sun Yat-Sen University 2D 3D TSV
20828889 10 Synthesis, antioxidant activities and urease inhibition of some new 1,2,4-triazole and 1,3,4-thiadiazole derivatives.EBI Eur J Med Chem 45: 5200-7 (2010) Quaid-i-Azam University 2D 3D TSV
20828184 21 Characterization of Acetylcholinesterase Inhibitory Constituents from Annona glabra Assisted by HPLC Microfractionation.EBI J Nat Prod (2010) National Taiwan University 2D 3D TSV
20828158 92 Expanding the diversity of allosteric bcr-abl inhibitors.EBI J Med Chem 53: 6934-46 (2010) Harvard Medical School 2D 3D TSV
20828128 66 Surface plasmon resonance biosensor based fragment screening using acetylcholine binding protein identifies ligand efficiency hot spots (LE hot spots) by deconstruction of nicotinic acetylcholine receptora7 ligands.EBI J Med Chem 53: 7192-201 (2010) VU University Amsterdam 2D 3D TSV
20827790 21 A novel competitive class of ╬▒-glucosidase inhibitors: (E)-1-phenyl-3-(4-styrylphenyl)urea derivatives.BDB Chembiochem 11: 2125-31 (2010) Gyeongsang National University 2D 3D TSV
20826091 6 20-Aminosteroids as a novel class of selective and complete androgen receptor antagonists and inhibitors of prostate cancer cell growth.EBI Bioorg Med Chem 18: 6960-9 (2010) Universität Leipzig 2D 3D TSV
20826090 4 Design, synthesis, and binding of homologated truncated 4'-thioadenosine derivatives at the human A3 adenosine receptors.EBI Bioorg Med Chem 18: 7015-21 (2010) Ewha Womans University 2D 3D TSV
20825218 69 Synthesis and biological activity of pyrido[3',2':4,5]thieno[3,2-d]pyrimidines as phosphodiesterase type 4 inhibitors.EBI J Med Chem 53: 6912-22 (2010) Rhône-Poulenc Rorer 2D 3D TSV
20823284 9 Preclinical characterization of BI 201335, a C-terminal carboxylic acid inhibitor of the hepatitis C virus NS3-NS4A protease.EBI Antimicrob Agents Chemother 54: 4611-8 (2010) Boehringer Ingelheim (Canada) Ltd. 2D 3D TSV
20822912 2 OGA inhibition by GlcNAc-selenazoline.EBI Bioorg Med Chem 18: 7058-64 (2010) Daegu University 2D 3D TSV
20822906 11 A stereo-controlled synthesis of 2,4-dimethyl-4-hydroxy-16-phenylhexadecanoic acid 1,4-lactone and its PPAR activities.EBI Bioorg Med Chem Lett 20: 6017-9 (2010) Seoul National University 2D 3D TSV
20822905 28 Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.EBI Bioorg Med Chem Lett 20: 6048-51 (2010) Genentech 2D 3D TSV
20822903 87 Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region.EBI Bioorg Med Chem Lett 20: 6034-9 (2010) Elan Pharmaceuticals 2D 3D TSV
20822901 8 Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.EBI Bioorg Med Chem Lett 20: 6125-8 (2010) University of Oxford 2D 3D TSV
20822184 27 Chemistry and pharmacological characterization of novel nitrogen analogues of AMOP-H-OH (Sazetidine-A, 6-[5-(azetidin-2-ylmethoxy)pyridin-3-yl]hex-5-yn-1-ol) asa4ß2-nicotinic acetylcholine receptor-selective partial agonists.EBI J Med Chem 53: 6973-85 (2010) University of Illinois at Chicago 2D 3D TSV
20822181 189 Structure-based design and synthesis of potent, ethylenediamine-based, mammalian farnesyltransferase inhibitors as anticancer agents.EBI J Med Chem 53: 6867-88 (2010) Yale University 2D 3D TSV
20817735 24 Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation.BDB J Biol Chem 285: 35900-9 (2010) Commissariat à l'Energie Atomique 2D 3D TSV
20817538 16 Structural resemblances and comparisons of the relative pharmacological properties of imatinib and nilotinib.EBI Bioorg Med Chem 18: 6977-86 (2010) Novartis Institutes for BioMedical Research 2D 3D TSV
20817523 61 Substituted 4-amino-1H-pyrazolo[3,4-d]pyrimidines as multi-targeted inhibitors of insulin-like growth factor-1 receptor (IGF1R) and members of ErbB-family receptor kinases.EBI Bioorg Med Chem Lett 20: 6067-71 (2010) Abbott Laboratories 2D 3D TSV
20817521 21 A novel series of positive modulators of the AMPA receptor: structure-based lead optimization.EBI Bioorg Med Chem Lett 20: 6072-5 (2010) Merck Research Laboratories 2D 3D TSV
20817520 40 Role of the phenolic hydroxyl group in the biological activities of simplified analogue of aplysiatoxin with antiproliferative activity.EBI Bioorg Med Chem Lett 20: 6064-6 (2010) Kyoto University 2D 3D TSV
20817518 23 Synthesis and in vitro evaluation of N-alkyl-7-methoxytacrine hydrochlorides as potential cholinesterase inhibitors in Alzheimer disease.EBI Bioorg Med Chem Lett 20: 6093-5 (2010) Charles University 2D 3D TSV
20817473 57 Thieno[3,2-c]pyrazoles: a novel class of Aurora inhibitors with favorable antitumor activity.EBI Bioorg Med Chem 18: 7113-20 (2010) Nerviano Medical Sciences-Oncology 2D 3D TSV
20817450 13 Fatty acid synthase inhibitors of phenolic constituents isolated from Garcinia mangostana.EBI Bioorg Med Chem Lett 20: 6045-7 (2010) Chinese Academy of Sciences 2D 3D TSV
20817449 19 4-methylpteridinones as orally active and selective PI3K/mTOR dual inhibitors.EBI Bioorg Med Chem Lett 20: 6096-9 (2010) Pfizer Inc. 2D 3D TSV
20817362 25 Exploring new inhibitors of Plasmodium falciparum purine nucleoside phosphorylase.EBI Eur J Med Chem 45: 5140-9 (2010) Instituto de Parasitología y Biomedicina López-Neyra 2D 3D TSV
20817325 2 Synthesis and characterization of a iodine-125-labeled pyrrolo[1,2-a]thieno[3,2-e]pyrazine and evaluation as a potential 5-HT4R SPECT tracer.EBI Eur J Med Chem 45: 5465-7 (2010) Universit£ de Caen Basse-Normandie 2D 3D TSV
20813948 63 Spiroindolones, a potent compound class for the treatment of malaria.EBI Science 329: 1175-80 (2010) Swiss Tropical and Public Health Institute 2D 3D TSV
20813534 17 Synthesis, anti-fungal and 1,3-ß-D-glucan synthase inhibitory activities of caffeic and quinic acid derivatives.EBI Bioorg Med Chem 18: 7009-14 (2010) Inner Mongolia University 2D 3D TSV
20813529 48 Search for influence of spatial properties on affinity ata1-adrenoceptor subtypes for phenylpiperazine derivatives of phenytoin.EBI Bioorg Med Chem Lett 20: 6152-6 (2010) Jagiellonian University Medical College 2D 3D TSV
20813526 8 Synthesis and biological evaluation of a novel series of bis-salicylaldehydes as mushroom tyrosinase inhibitors.EBI Bioorg Med Chem Lett 20: 6138-40 (2010) Universit£ degli Studi di Cagliari 2D 3D TSV
20813523 26 Discovery and structure-activity relationship of a novel spirocarbamate series of NPY Y5 antagonists.EBI Bioorg Med Chem Lett 20: 6103-7 (2010) GlaxoSmithKline SpA 2D 3D TSV
20813522 4 Elucidation of the active conformation of the amino terminus of receptor-bound secretin using intramolecular disulfide bond constraints.EBI Bioorg Med Chem Lett 20: 6040-4 (2010) Mayo Clinic 2D 3D TSV
20813430 5 Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays.EBI Eur J Med Chem 45: 4845-55 (2010) Instituto Politécnico Nacional 2D 3D TSV
20812729 18 Identification of selective norbornane-type aspartate analogue inhibitors of the glutamate transporter 1 (GLT-1) from the chemical universe generated database (GDB).EBI J Med Chem 53: 7236-50 (2010) University of Berne 2D 3D TSV
20812727 157 Synthesis, structure-affinity relationships, and radiolabeling of selective high-affinity 5-HT4 receptor ligands as prospective imaging probes for positron emission tomography.EBI J Med Chem 53: 7035-47 (2010) National Institute of Mental Health 2D 3D TSV
20812725 103 1-Aryl-3-(1-acylpiperidin-4-yl)urea inhibitors of human and murine soluble epoxide hydrolase: structure-activity relationships, pharmacokinetics, and reduction of inflammatory pain.EBI J Med Chem 53: 7067-75 (2010) Department of Entomology and University of California Davis Cancer Center 2D 3D TSV
20812681 24 Synthesis and biochemical characterization of a series of 17a-perfluoroalkylated estradiols as selective ligands for estrogen receptora.EBI J Med Chem 53: 6947-53 (2010) Charles University in Prague 2D 3D TSV
20810279 86 Discovery of pyrrolopyrimidine inhibitors of Akt.EBI Bioorg Med Chem Lett 20: 5607-12 (2010) Array BioPharma Inc 2D 3D TSV
20810192 1 Synthesis and evaluation of indole, pyrazole, chromone and pyrimidine based conjugates for tumor growth inhibitory activities--development of highly efficacious cytotoxic agents.EBI Eur J Med Chem 45: 4968-82 (2010) Guru Nanak Dev University 2D 3D TSV
20809642 28 Click-chemistry-derived triazole ligands of arginine-glycine-aspartate (RGD) integrins with a broad capacity to inhibit adhesion of melanoma cells and both in vitro and in vivo angiogenesis.EBI J Med Chem 53: 7119-28 (2010) University of Florence 2D 3D TSV
20809634 46 Amino derivatives of indole as potent inhibitors of isoprenylcysteine carboxyl methyltransferase.EBI J Med Chem 53: 6838-50 (2010) National University of Singapore 2D 3D TSV
20809633 16 Design, synthesis, and structure-activity relationships of novel bicyclic azole-amines as negative allosteric modulators of metabotropic glutamate receptor 5.EBI J Med Chem 53: 7107-18 (2010) Sepracor Inc. 2D 3D TSV
20809632 68 Rigid analogues of thea2-adrenergic blocker atipamezole: small changes, big consequences.EBI J Med Chem 53: 6986-95 (2010) Pierre Fabre Research Center 2D 3D TSV
20807771 7 Identification of an endothelin-converting enzyme-2-specific fluorigenic substrate and development of an in vitro and ex vivo enzymatic assay.BDB J Biol Chem 285: 34390-400 (2010) Pharmaleads 2D 3D TSV
20807084 24 Hyperbolic mixed-type inhibition of acetylcholinesterase by tetracyclic thienopyrimidines.BDB J Enzyme Inhib Med Chem 26: 350-8 (2011) University of Bonn 2D 3D TSV
20806939 52 Analogues of morphanthridine and the tear gas dibenz[b,f][1,4]oxazepine (CR) as extremely potent activators of the human transient receptor potential ankyrin 1 (TRPA1) channel.EBI J Med Chem 53: 7011-20 (2010) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
20806907 1 Topsentinols, 24-isopropyl steroids from the marine sponge Topsentia sp.EBI J Nat Prod 73: 1597-600 (2010) University of Hawaii at Manoa 2D 3D TSV
20806896 3 Effects of conformational restriction of 2-amino-3-benzoylthiophenes on A(1) adenosine receptor modulation.EBI J Med Chem 53: 6550-9 (2010) Monash University (Parkville Campus) 2D 3D TSV
20806783 2 Bioactivity-guided isolation of 1,2,3,4,6-Penta-O-galloyl-D-glucopyranose from Paeonia lactiflora roots as a PTP1B inhibitor.EBI J Nat Prod 73: 1578-81 (2010) University of Vienna 2D 3D TSV
20805028 32 6,7-Dihydroxy-4-phenylcoumarin as inhibitor of aldose reductase 2.EBI Bioorg Med Chem Lett 20: 5630-3 (2010) University of Toyama 2D 3D TSV
20804212 6 Steady-state kinetic and inhibition studies of the mammalian target of rapamycin (mTOR) kinase domain and mTOR complexes.BDB Biochemistry 49: 8488-98 (2010) Pfizer 2D 3D TSV
20804202 1 Nitrile-containing pharmaceuticals: efficacious roles of the nitrile pharmacophore.EBI J Med Chem 53: 7902-17 (2010) Duquesne University 2D 3D TSV
20804199 23 Inhalation by design: novel ultra-long-actingß(2)-adrenoreceptor agonists for inhaled once-daily treatment of asthma and chronic obstructive pulmonary disease that utilize a sulfonamide agonist headgroup.EBI J Med Chem 53: 6640-52 (2010) Pfizer Inc. 2D 3D TSV
20804198 29 Discovery of 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide (BMS-582949), a clinical p38a MAP kinase inhibitor for the treatment of inflammatory diseases.EBI J Med Chem 53: 6629-39 (2010) Bristol-Myers Squibb Research and Development 2D 3D TSV
20804197 40 Synthesis, anti-inflammatory activity, and in vitro antitumor effect of a novel class of cyclooxygenase inhibitors: 4-(aryloyl)phenyl methyl sulfones.EBI J Med Chem 53: 6560-71 (2010) Universitat de Barcelona 2D 3D TSV
20801663 4 Delphinidin, a dietary anthocyanidin in berry fruits, inhibits human glyoxalase I.EBI Bioorg Med Chem 18: 7029-33 (2010) Tokyo University of Science 2D 3D TSV
20801662 60 Structure-activity relationships in 1,4-benzodioxan-related compounds. 10. Novela1-adrenoreceptor antagonists related to openphendioxan: synthesis, biological evaluation, anda1d computational study.EBI Bioorg Med Chem 18: 7065-77 (2010) Universit£ di Bari 2D 3D TSV
20801651 25 Heterobiaryl and heterobiaryl ether derived M5 positive allosteric modulators.EBI Bioorg Med Chem Lett 20: 5617-22 (2010) Vanderbilt University Medical Center 2D 3D TSV
20801650 245 6-Alkoxyisoindolin-1-one based dopamine D2 partial agonists as potential antipsychotics.EBI Bioorg Med Chem Lett 20: 5666-9 (2010) Pfizer Inc. 2D 3D TSV
20801551 34 Synthesis and evaluation of novel stearoyl-CoA desaturase 1 inhibitors: 1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-3,4-dihydrospiro[chromene-2,4'-piperidine] analogs.EBI Eur J Med Chem 45: 4788-96 (2010) Daiichi Sankyo Co., Ltd. 2D 3D TSV
20801550 9 Synthesis, characterization, oxidative degradation, antibacterial activity and acetylcholinesterase/butyrylcholinesterase inhibitory effects of some new phosphorus(V) hydrazides.EBI Eur J Med Chem 45: 5130-9 (2010) Tarbiat Modares University 2D 3D TSV
20801039 27 9-Dihydroerythromycins as non-antibiotic motilin receptor agonists.EBI Bioorg Med Chem Lett 20: 5658-61 (2010) Kosan Biosciences, Inc 2D 3D TSV
20801037 62 Synthesis and SAR of 2-aryl-3-aminomethylquinolines as agonists of the bile acid receptor TGR5.EBI Bioorg Med Chem Lett 20: 5718-21 (2010) Kalypsys, Inc. 2D 3D TSV
20801035 22 Synthesis and biological evaluation of C-2 halogenated analogs of salvinorin A.EBI Bioorg Med Chem Lett 20: 5749-52 (2010) Harvard Medical School 2D 3D TSV
20801033 4 Probing the active-site requirements of human intestinal N-terminal maltase glucoamylase: the effect of replacing the sulfate moiety by a methyl ether in ponkoranol, a naturally occurringa-glucosidase inhibitor.EBI Bioorg Med Chem Lett 20: 5686-9 (2010) Simon Fraser University 2D 3D TSV
20801032 3 Novel bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase.EBI Bioorg Med Chem Lett 20: 5781-6 (2010) McGill University 2D 3D TSV
20801030 106 Discovery of potent and selective histamine H3 receptor inverse agonists based on the 3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one scaffold.EBI Bioorg Med Chem Lett 20: 5713-7 (2010) F Hoffmann-La Roche Ltd 2D 3D TSV
20801028 14 Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists.EBI Bioorg Med Chem Lett 20: 5690-4 (2010) NIDDK 2D 3D TSV
20800486 16 Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia.EBI Bioorg Med Chem Lett 20: 5874-8 (2010) Neurocrine Biosciences 2D 3D TSV
20800483 9 Novel indoline-1- or 3,4-dihydroquinoline-1(2H)-substituted carbothiohydrazides as TPO receptor agonists.EBI Bioorg Med Chem Lett 20: 5670-2 (2010) Shanghai Hengrui Pharmaceuticals Co, Ltd 2D 3D TSV
20800482 12 Synthesis and biological evaluation of novel coumarin-based inhibitors of Cdc25 phosphatases.EBI Bioorg Med Chem Lett 20: 5827-30 (2010) Université Paul Verlaine 2D 3D TSV
20800480 14 Synthesis and molecular docking study of novel coumarin derivatives containing 4,5-dihydropyrazole moiety as potential antitumor agents.EBI Bioorg Med Chem Lett 20: 5705-8 (2010) Anhui University of Technology 2D 3D TSV
20800479 33 Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region.EBI Bioorg Med Chem Lett 20: 5793-8 (2010) Deciphera Pharmaceuticals LLC 2D 3D TSV
20800322 10 Synthesis, biological assay in vitro and molecular docking studies of new imidazopyrazinone derivatives as potential dipeptidyl peptidase IV inhibitors.EBI Eur J Med Chem 45: 4953-62 (2010) East China University of Science and Technology 2D 3D TSV
20797871 18 Development of a new epidermal growth factor receptor positron emission tomography imaging agent based on the 3-cyanoquinoline core: synthesis and biological evaluation.EBI Bioorg Med Chem 18: 6634-45 (2010) Imperial College London 2D 3D TSV
20797858 2 Synthesis of aminoquinazoline derivatives and their antiproliferative activities against melanoma cell line.EBI Bioorg Med Chem Lett 20: 5722-5 (2010) Institute of Science and Technology 2D 3D TSV
20797855 63 PKI-179: an orally efficacious dual phosphatidylinositol-3-kinase (PI3K)/mammalian target of rapamycin (mTOR) inhibitor.EBI Bioorg Med Chem Lett 20: 5869-73 (2010) Pfizer Inc. 2D 3D TSV
20797617 8 Application of fragment-based drug discovery to membrane proteins: identification of ligands of the integral membrane enzyme DsbB.BDB Chem Biol 17: 881-91 (2010) Leiden University 2D 3D TSV
20797610 20 Functional studies of Plasmodium falciparum dipeptidyl aminopeptidase I using small molecule inhibitors and active site probes.BDB Chem Biol 17: 808-19 (2010) Stanford School of Medicine 2D 3D TSV
20795648 27 Design, synthesis, and preliminary biological evaluation of new isoform-selective f-current blockers.EBI J Med Chem 53: 6773-7 (2010) Laboratory of Design, Synthesis, and Study of Biologically Active Heterocycles (HeteroBioLab) 2D 3D TSV
20735042 56 Design, synthesis, and biological evaluation of halogenated N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)benzamides: discovery of an isoform-selective small molecule phospholipase D2 inhibitor.EBI J Med Chem 53: 6706-19 (2010) Vanderbilt University Medical Center 2D 3D TSV
20735001 145 Nonsteroidal dissociated glucocorticoid agonists containing azaindoles as steroid A-ring mimetics.EBI J Med Chem 53: 6681-98 (2010) Boehringer-Ingelheim Pharmaceuticals Inc. 2D 3D TSV
20732813 33 Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38a MAP kinase inhibitors.EBI Bioorg Med Chem Lett 20: 5864-8 (2010) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
20732812 118 3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators.EBI Bioorg Med Chem Lett 20: 5922-4 (2010) Vanderbilt University 2D 3D TSV
20731374 65 Direct renin inhibitors as a new therapy for hypertension.EBI J Med Chem 53: 7490-520 (2010) Novartis Pharmaceuticals Corp 2D 3D TSV
20731360 6 Potent and fully noncompetitive peptidomimetic inhibitor of multidrug resistance P-glycoprotein.EBI J Med Chem 53: 6720-9 (2010) UMR 5086 CNRS 2D 3D TSV
20731359 29 A focused library of protein tyrosine phosphatase inhibitors.EBI J Med Chem 53: 6768-72 (2010) Brown University 2D 3D TSV
20731357 27 Small-molecule inhibitors of NADPH oxidase 4.EBI J Med Chem 53: 6758-62 (2010) Vichem Chemie Research Ltd. 2D 3D TSV
20729091 43 Design and synthesis of biphenyl derivatives as mushroom tyrosinase inhibitors.EBI Bioorg Med Chem 18: 6708-14 (2010) Jinan University 2D 3D TSV
20729082 59 Fused tricyclic pyrrolizinones that exhibit pseudo-irreversible blockade of the NK1 receptor.EBI Bioorg Med Chem Lett 20: 5925-32 (2010) Merck Research Laboratories 2D 3D TSV
20728966 58 QSAR prediction of D2 receptor antagonistic activity of 6-methoxy benzamides.EBI Eur J Med Chem 45: 4856-62 (2010) University of Mazandaran 2D 3D TSV
20728368 16 Synthesis, Pim kinase inhibitory potencies and in vitro antiproliferative activities of diversely substituted pyrrolo[2,3-a]carbazoles.EBI Bioorg Med Chem 18: 6865-73 (2010) Clermont Université 2D 3D TSV
20728365 1 Replacement of the Lys linker with an Arg linker resulting in improved melanoma uptake and reduced renal uptake of Tc-99m-labeled Arg-Gly-Asp-conjugated alpha-melanocyte stimulating hormone hybrid peptide.EBI Bioorg Med Chem 18: 6695-700 (2010) University of New Mexico 2D 3D TSV
20728358 11 Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF).EBI Bioorg Med Chem Lett 20: 5811-4 (2010) Yale University 2D 3D TSV
20728356 68 The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part III: the three microdose candidates.EBI Bioorg Med Chem Lett 20: 7164-8 (2010) Pfizer Inc. 2D 3D TSV
20728355 47 Identification and optimization of substituted 5-aminopyrazoles as potent and selective adenosine A1 receptor antagonists.EBI Bioorg Med Chem Lett 20: 5891-4 (2010) Bayer Schering Pharma AG 2D 3D TSV
20728354 16 Azole derivatives as histamine H3 receptor antagonists, part I: thiazol-2-yl ethers.EBI Bioorg Med Chem Lett 20: 5879-82 (2010) Johann Wolfgang Goethe University 2D 3D TSV
20728352 5 Novel pyrrole- and 1,2,3-triazole-based 2,3-oxidosqualene cyclase inhibitors.EBI Bioorg Med Chem Lett 20: 5807-10 (2010) Institute of Microbial Chemistry 2D 3D TSV
20728351 4 CD4 mimics targeting the HIV entry mechanism and their hybrid molecules with a CXCR4 antagonist.EBI Bioorg Med Chem Lett 20: 5853-8 (2010) Tokyo Medical and Dental University 2D 3D TSV
20728350 41 Identification of a new biaryl scaffold generating potent renin inhibitors.EBI Bioorg Med Chem Lett 20: 5822-6 (2010) Merck Frosst Center for Therapeutic Research 2D 3D TSV
20728251 42 3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors.EBI Eur J Med Chem 45: 4774-82 (2010) Universit£ degli Studi di Palermo 2D 3D TSV
20727752 141 Discovery of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as selective antagonists of the kappa opioid receptor. Part 1.EBI Bioorg Med Chem Lett 20: 5847-52 (2010) AstraZeneca Pharmaceuticals 2D 3D TSV
20727750 9 Synthesis and biological evaluation of indomethacin analogs possessing a N-difluoromethyl-1,2-dihydropyrid-2-one ring system: a search for novel cyclooxygenase and lipoxygenase inhibitors.EBI Bioorg Med Chem Lett 20: 5776-80 (2010) University of Alberta 2D 3D TSV
20727749 17 Pyrazolo[1,5-a]pyrimidine acetamides: 4-Phenyl alkyl ether derivatives as potent ligands for the 18 kDa translocator protein (TSPO).EBI Bioorg Med Chem Lett 20: 5799-802 (2010) University of Sydney 2D 3D TSV
20727747 15 Discovery of a class of calcium sensing receptor positive allosteric modulators; 1-(benzothiazol-2-yl)-1-phenylethanols.EBI Bioorg Med Chem Lett 20: 5918-21 (2010) ACADIA Pharmaceuticals AB 2D 3D TSV
20727744 10 Azole derivatives as histamine H3 receptor antagonists, part 2: C-C and C-S coupled heterocycles.EBI Bioorg Med Chem Lett 20: 5883-6 (2010) Johann Wolfgang Goethe University 2D 3D TSV
20727743 64 Discovery of quinolines as selective glucocorticoid receptor agonists.EBI Bioorg Med Chem Lett 20: 5835-8 (2010) Bayer Schering Pharma AG 2D 3D TSV
20726512 282 Orally active MMP-1 sparinga-tetrahydropyranyl anda-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease.EBI J Med Chem 53: 6653-80 (2010) Pfizer Inc. 2D 3D TSV
20724166 4 Studies on ligand binding to histidine triad nucleotide binding protein 1.EBI Bioorg Med Chem 18: 6756-62 (2010) University of Maryland 2D 3D TSV
20724156 71 Discovery of novel, orally available benzimidazoles as melanin concentrating hormone receptor 1 (MCHR1) antagonists.EBI Bioorg Med Chem Lett 20: 5443-8 (2010) Dr. Reddy's Laboratories Ltd 2D 3D TSV
20724155 7 Prenylflavonoids from Glycyrrhiza uralensis and their protein tyrosine phosphatase-1B inhibitory activities.EBI Bioorg Med Chem Lett 20: 5398-401 (2010) Toho University 2D 3D TSV
20724153 31 Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors.EBI Bioorg Med Chem Lett 20: 5567-71 (2010) Korea Institute of Science and Technology 2D 3D TSV
20724150 51 Pyrido pyrimidinones as selective agonists of the high affinity niacin receptor GPR109A: optimization of in vitro activity.EBI Bioorg Med Chem Lett 20: 5426-30 (2010) F. Hoffmann-La Roche Ltd 2D 3D TSV
20724042 2 Computational analysis of ligand recognition sites of homo- and heteropentameric 5-HT3 receptors.EBI Eur J Med Chem 45: 4746-60 (2010) University of Modena and Reggio Emilia 2D 3D TSV
20724038 78 Synthesis, characterization and antiglaucoma activity of some novel pyrazole derivatives of 5-amino-1,3,4-thiadiazole-2-sulfonamide.EBI Eur J Med Chem 45: 4769-73 (2010) Dumlupinar University 2D 3D TSV
20722422 33 Discovery of mitogen-activated protein kinase-interacting kinase 1 inhibitors by a comprehensive fragment-oriented virtual screening approach.EBI J Med Chem 53: 6618-28 (2010) Spanish National Cancer Research Centre (CNIO) 2D 3D TSV
20719511 17 Identification and hit-to-lead optimization of a novel class of CB1 antagonists.EBI Bioorg Med Chem Lett 20: 5449-53 (2010) Ligand Pharmaceuticals, Inc. 2D 3D TSV
20719509 93 SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2.EBI Bioorg Med Chem Lett 20: 5405-10 (2010) AstraZeneca Pharmaceuticals 2D 3D TSV
20719508 26 Identification and optimization of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V3 (V1b) receptor antagonists.EBI Bioorg Med Chem Lett 20: 5394-7 (2010) Ligand Pharmaceuticals, Inc. 2D 3D TSV
20719507 37 Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles as dual serotonin 5-HT2C and 5-HT6 receptor ligands.EBI Bioorg Med Chem Lett 20: 5431-3 (2010) University of Copenhagen 2D 3D TSV
20718494 7 Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.EBI J Med Chem 53: 6003-17 (2010) Pfizer Inc. 2D 3D TSV
20718492 74 Investigations on the 4-quinolone-3-carboxylic acid motif. 3. Synthesis, structure-affinity relationships, and pharmacological characterization of 6-substituted 4-quinolone-3-carboxamides as highly selective cannabinoid-2 receptor ligands.EBI J Med Chem 53: 5915-28 (2010) Universit£ degli Studi di Siena 2D 3D TSV
20718440 7 Novel benzimidazole inhibitors bind to a unique site in the kinesin spindle protein motor domain.BDB Biochemistry 49: 8350-8 (2010) Merck Research Laboratories 2D 3D TSV
20718423 16 Design and synthesis of potent"sulfur-free" transition state analogue inhibitors of 5'-methylthioadenosine nucleosidase and 5'-methylthioadenosine phosphorylase.EBI J Med Chem 53: 6730-46 (2010) Industrial Research Limited 2D 3D TSV
20718420 167 Substituted 4-carboxymethylpyroglutamic acid diamides as potent and selective inhibitors of fibroblast activation protein.EBI J Med Chem 53: 6572-83 (2010) National Health Research Institutes 2D 3D TSV
20716489 12 FRET-based sensors for the human M1-, M3-, and M5-acetylcholine receptors.EBI Bioorg Med Chem 19: 1048-54 (2011) University of Wuerzburg 2D 3D TSV
20716488 7 Identification of small molecule compounds with higher binding affinity to guanine deaminase (cypin) than guanine.EBI Bioorg Med Chem 18: 6748-55 (2010) The State University of New Jersey 2D 3D TSV
20715818 78 Synthesis, stereochemical separation, and biological evaluation of selective inhibitors of human MAO-B: 1-(4-arylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazines.EBI J Med Chem 53: 6516-20 (2010) Universita degli Studi di Roma La Sapienza 2D 3D TSV
20712346 23 Discovery of pyridazinopyridinones as potent and selective p38 mitogen-activated protein kinase inhibitors.EBI J Med Chem 53: 6398-411 (2010) Amgen Inc. 2D 3D TSV
20711197 12 Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.BDB Nat Chem Biol 6: 660-6 (2010) Novartis Institutes for Biomedical Research 2D 3D TSV
20709559 16 Facile synthesis of octahydrobenzo[h]isoquinolines: novel and highly potent D1 dopamine agonists.EBI Bioorg Med Chem 18: 6763-70 (2010) Purdue University 2D 3D TSV
20709553 72 The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: the second clinical candidate having a shorter and favorable human half-life.EBI Bioorg Med Chem Lett 20: 7159-63 (2010) Pfizer Inc. 2D 3D TSV
20709552 36 Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers.EBI Bioorg Med Chem Lett 20: 5536-40 (2010) Merck Research Laboratories 2D 3D TSV
20709550 80 The discovery of a series of N-substituted 3-(4-piperidinyl)-1,3-benzoxazolinones and oxindoles as highly brain penetrant, selective muscarinic M1 agonists.EBI Bioorg Med Chem Lett 20: 5434-8 (2010) GlaxoSmithKline 2D 3D TSV
20709547 69 The discovery and synthesis of highly potent subtype selective phosphodiesterase 4D inhibitors.EBI Bioorg Med Chem Lett 20: 5502-5 (2010) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
20709545 31 Substituted biaryl pyrazoles as sodium channel blockers.EBI Bioorg Med Chem Lett 20: 5480-3 (2010) Merck Research Laboratories 2D 3D TSV
20708942 1 Rose Bengal analogs and vesicular glutamate transporters (VGLUTs).EBI Bioorg Med Chem 18: 6922-33 (2010) Universit£ Paris Descartes 2D 3D TSV
20708937 2 Novel indolylmaleimide acts as GSK-3beta inhibitor in human neural progenitor cells.EBI Bioorg Med Chem 18: 6785-95 (2010) University of Rostock 2D 3D TSV
20708933 60 Synthesis and evaluation of amides surrogates of dopamine D3 receptor ligands.EBI Bioorg Med Chem Lett 20: 5376-9 (2010) Université de Rennes I 2D 3D TSV
20708930 36 The discovery of an orally efficacious positive allosteric modulator of the calcium sensing receptor containing a dibenzylamine core.EBI Bioorg Med Chem Lett 20: 5544-7 (2010) Amgen Inc. 2D 3D TSV
20708929 13 Novel pyrrolidine heterocycles as CCR1 antagonists.EBI Bioorg Med Chem Lett 20: 5477-9 (2010) Ligand Pharmaceuticals, Inc. 2D 3D TSV
20708306 68 Synthesis of new series of quinoxaline based MAO-inhibitors and docking studies.EBI Eur J Med Chem 45: 4479-89 (2010) Alexandria University 2D 3D TSV
20705461 38 Synthesis and biological activity of N-substituted aminocarbonyl-1,3-dioxolanes as VLA-4 antagonists.EBI Bioorg Med Chem Lett 20: 5514-20 (2010) New Drug Discovery Research 2D 3D TSV
20702005 17 Synthesis of new 3-aryl-4,5-dihydropyrazole-1-carbothioamide derivatives. An investigation on their ability to inhibit monoamine oxidase.EBI Eur J Med Chem 45: 4490-8 (2010) Dipartimento Farmaco Chimico Tecnologico 2D 3D TSV
20701394 11 Interaction kinetic and structural dynamic analysis of ligand binding to acetylcholine-binding protein.BDB Biochemistry 49: 8143-54 (2010) Beactica AB 2D 3D TSV
20698542 16 Identification and development of novel inhibitors of Toxoplasma gondii enoyl reductase.EBI J Med Chem 53: 6287-300 (2010) University of Illinois at Chicago 2D 3D TSV
20696581 25 Xanthones with neuraminidase inhibitory activity from the seedcases of Garcinia mangostana.EBI Bioorg Med Chem 18: 6258-64 (2010) Graduate School of Gyeongsang National University 2D 3D TSV
20696580 54 Selective inhibition of methoxyflavonoids on human CYP1B1 activity.EBI Bioorg Med Chem 18: 6310-5 (2010) University of Shizuoka 2D 3D TSV
20695472 1 Identification of a naturally occurring rexinoid, honokiol, that activates the retinoid X receptor.EBI J Nat Prod 73: 1332-6 (2010) Aichi Gakuin University 2D 3D TSV
20692836 45 [3-azabicyclo[3.1.0]hex-1-yl]phenyl-benzenesulfonamides as selective dopamine D3 antagonists.EBI Bioorg Med Chem Lett 20: 5491-4 (2010) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
20692833 41 N-tetrahydrothiochromenoisoxazole-1-carboxamides as selective antagonists of cloned human 5-HT2B.EBI Bioorg Med Chem Lett 20: 5488-90 (2010) CSIRO Molecular and Health Technologies 2D 3D TSV
20692829 21 Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.EBI Bioorg Med Chem Lett 20: 5541-3 (2010) University of Würzburg 2D 3D TSV
20692738 34 Synthesis and activity of endomorphin-2 and morphiceptin analogues with proline surrogates in position 2.EBI Eur J Med Chem 45: 4594-600 (2010) "Sapienza" Università di Roma 2D 3D TSV
20692174 12 Synthesis, biological evaluation, and docking studies of novel heterocyclic diaryl compounds as selective COX-2 inhibitors.EBI Bioorg Med Chem 18: 6367-76 (2010) Gazi University 2D 3D TSV
20691589 45 Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain.EBI Bioorg Med Chem Lett 20: 5559-66 (2010) Roche Palo Alto LLC 2D 3D TSV
20691511 74 Three-dimensional quantitative structure-activity relationship CoMSIA/CoMFA and LeapFrog studies on novel series of bicyclo [4.1.0] heptanes derivatives as melanin-concentrating hormone receptor R1 antagonists.EBI Eur J Med Chem 45: 4509-22 (2010) Universidad de Cartagena 2D 3D TSV
20691509 47 QSAR study of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2 using LS-SVM and GRNN based on principal components.EBI Eur J Med Chem 45: 4499-508 (2010) Kermanshah University of Medical Sciences 2D 3D TSV
20691338 24 Design, synthesis and biological evaluation of new (E)- and (Z)-1,2,3-triaryl-2-propen-1-ones as selective COX-2 inhibitors.EBI Eur J Med Chem 45: 4013-7 (2010) Shahid Beheshti University of Medical Sciences 2D 3D TSV
20690686 52 Synthesis, in vitro activity, and three-dimensional quantitative structure-activity relationship of novel hydrazine inhibitors of human vascular adhesion protein-1.EBI J Med Chem 53: 6301-15 (2010) FI-40014 University of Jyvaskyla 2D 3D TSV
20690647 33 Peptidyl alpha-ketoamides with nucleobases, methylpiperazine, and dimethylaminoalkyl substituents as calpain inhibitors.EBI J Med Chem 53: 6326-36 (2010) Georgia Institute of Technology 2D 3D TSV
20690643 68 Investigation of the histamine H3 receptor binding site. Design and synthesis of hybrid agonists with a lipophilic side chain.EBI J Med Chem 53: 6445-56 (2010) Meiji Seika Kaisha, Ltd. 2D 3D TSV
20690635 12 Discovery of canagliflozin, a novel C-glucoside with thiophene ring, as sodium-dependent glucose cotransporter 2 inhibitor for the treatment of type 2 diabetes mellitus.EBI J Med Chem 53: 6355-60 (2010) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
20688523 15 N(G)-Acyl-argininamides as NPY Y(1) receptor antagonists: Influence of structurally diverse acyl substituents on stability and affinity.EBI Bioorg Med Chem 18: 6292-304 (2010) Universität Regensburg 2D 3D TSV
20688519 58 Two distinct classes of novel pyrazolinecarboxamides as potent cannabinoid CB1 receptor agonists.EBI Bioorg Med Chem Lett 20: 4992-8 (2010) Abbott Healthcare Products BV 2D 3D TSV
20688518 84 S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.EBI Bioorg Med Chem Lett 20: 5126-9 (2010) University of Shizuoka 2D 3D TSV
20687610 12 Development of potent glucagon-like peptide-1 agonists with high enzyme stability via introduction of multiple lactam bridges.EBI J Med Chem 53: 6412-20 (2010) University of Texas at Dallas 2D 3D TSV
20685120 20 Synthesis of pyrrolomorphinan derivatives as kappa opioid agonists.EBI Bioorg Med Chem Lett 20: 5035-8 (2010) Kitasato University 2D 3D TSV
20685119 37 Penta-substituted benzimidazoles as potent antagonists of the calcium-sensing receptor (CaSR-antagonists).EBI Bioorg Med Chem Lett 20: 5161-4 (2010) Novartis Institutes for BioMedical Research 2D 3D TSV
20685118 97 The synthesis and structure-activity relationship of 4-benzimidazolyl-piperidinylcarbonyl-piperidine analogs as histamine H3 antagonists.EBI Bioorg Med Chem Lett 20: 5004-8 (2010) Merck Research Laboratories 2D 3D TSV
20684615 3 Synthesis and resolution of cis-(+/-)-methyl (1R,2S/1S,2R)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropanecarboxylate [(+/-)-PPCC)]: new sigma receptor ligands with neuroprotective effect.EBI J Med Chem 53: 5881-5 (2010) University of Catania 2D 3D TSV
20684611 22 Design of potent inhibitors of human RAD51 recombinase based on BRC motifs of BRCA2 protein: modeling and experimental validation of a chimera peptide.EBI J Med Chem 53: 5782-91 (2010) Centre National de la Recherche Scientifique& Universite de Nantes 2D 3D TSV
20684610 73 Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prostate cancer.EBI J Med Chem 53: 5749-58 (2010) Saarland University 2D 3D TSV
20684608 73 Tetrahydroisoquinoline derivatives as highly selective and potent Rho kinase inhibitors.EBI J Med Chem 53: 5727-37 (2010) The Scripps Research Institute 2D 3D TSV
20684606 68 Synthesis and in vivo evaluation of phenethylpiperazine amides: selective 5-hydroxytryptamine(2A) receptor antagonists for the treatment of insomnia.EBI J Med Chem 53: 5696-706 (2010) Arena Pharmaceuticals. 2D 3D TSV
20684605 6 Crystal structure-based selective targeting of the pyridoxal 5'-phosphate dependent enzyme kynurenine aminotransferase II for cognitive enhancement.EBI J Med Chem 53: 5684-9 (2010) University of Piemonte Orientale Amedeo Avogadro 2D 3D TSV
20684604 46 Design, synthesis, enzyme-inhibitory activity, and effect on human cancer cells of a novel series of jumonji domain-containing protein 2 histone demethylase inhibitors.EBI J Med Chem 53: 5629-38 (2010) Nagoya City University 2D 3D TSV
20684603 101 Discovery of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as potent, selective dipeptidyl peptidase-4 (DPP4) inhibitors.EBI J Med Chem 53: 5620-8 (2010) Bristol-Myers Squibb 2D 3D TSV
20684602 2 An efficient approach to the discovery of potent inhibitors against glycosyltransferases.EBI J Med Chem 53: 5607-19 (2010) Hokkaido University 2D 3D TSV
20684600 53 Biological diversity from a structurally diverse library: systematically scanning conformational space using a pyranose scaffold.EBI J Med Chem 53: 5576-86 (2010) Alchemia Ltd 2D 3D TSV
20684598 48 Development and characterization of new inhibitors of the human and mouse hematopoietic prostaglandin D(2) synthases.EBI J Med Chem 53: 5536-48 (2010) The University of Queensland 2D 3D TSV
20684597 19 Identification of the first low-molecular-weight inhibitors of matriptase-2.EBI J Med Chem 53: 5523-35 (2010) University of Bonn 2D 3D TSV
20684596 1 A novel water-soluble gossypol derivative increases chemotherapeutic sensitivity and promotes growth inhibition in colon cancer.EBI J Med Chem 53: 5502-10 (2010) Institute of Health Sciences 2D 3D TSV
20684595 374 Quinazolin-4-one derivatives: A novel class of noncompetitive NR2C/D subunit-selective N-methyl-D-aspartate receptor antagonists.EBI J Med Chem 53: 5476-90 (2010) Emory University 2D 3D TSV
20684594 71 Phenylsulfonylfuroxans as modulators of multidrug-resistance-associated protein-1 and P-glycoprotein.EBI J Med Chem 53: 5467-75 (2010) Universita degli Studi di Torino 2D 3D TSV
20684592 83 Identification of potent and selective amidobipyridyl inhibitors of protein kinase D.EBI J Med Chem 53: 5422-38 (2010) Novartis Institutes for BioMedical Research 2D 3D TSV
20684591 87 Identification of orally available naphthyridine protein kinase D inhibitors.EBI J Med Chem 53: 5400-21 (2010) Novartis Institutes for BioMedical Research 2D 3D TSV
20684567 38 Novel carbamates as orally active acetylcholinesterase inhibitors found to improve scopolamine-induced cognition impairment: pharmacophore-based virtual screening, synthesis, and pharmacology.EBI J Med Chem 53: 6490-505 (2010) Central Drug Research Institute 2D 3D TSV
20684563 176 Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 receptor agonist with unprecedented selectivity and procognitive potential.EBI J Med Chem 53: 6386-97 (2010) H. Lundbeck A/S 2D 3D TSV
20684551 40 Nonpeptidic and potent small-molecule inhibitors of cIAP-1/2 and XIAP proteins.EBI J Med Chem 53: 6361-7 (2010) University of Michigan 2D 3D TSV
20684549 76 Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.EBI J Med Chem 53: 6368-77 (2010) Amgen Inc. 2D 3D TSV
20681583 7 Novel N-methylated 8-oxoisoguanines from Pacific sponges with diverse neuroactivities.EBI J Med Chem 53: 6089-99 (2010) Hokkaido University 2D 3D TSV
20681538 61 Discovery of pyrrole-indoline-2-ones as Aurora kinase inhibitors with a different inhibition profile.EBI J Med Chem 53: 5929-41 (2010) Development Center for Biotechnology 2D 3D TSV
20678931 23 Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 2, optimization for blood pressure reduction in spontaneously hypertensive rats.EBI Bioorg Med Chem Lett 20: 5153-6 (2010) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
20675137 17 Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.EBI Bioorg Med Chem Lett 20: 5027-30 (2010) Bristol-Myers Squibb Research and Development 2D 3D TSV
20675136 5 Synthesis and biological evaluation of oxoindolin-3-ylidene ethyl benzothiohydrazides as non-peptide TPO mimics.EBI Bioorg Med Chem Lett 20: 5062-4 (2010) Shanghai Hengrui Pharmaceuticals Co., Ltd 2D 3D TSV
20675134 88 Discovery of imidazo[1,2-b]pyridazine derivatives as IKKbeta inhibitors. Part 1: Hit-to-lead study and structure-activity relationship.EBI Bioorg Med Chem Lett 20: 5113-8 (2010) Daiichi Sankyo Co., Ltd 2D 3D TSV
20675133 32 SAR studies of non-zinc-chelating MMP-13 inhibitors: improving selectivity and metabolic stability.EBI Bioorg Med Chem Lett 20: 5039-43 (2010) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
20675132 24 Synthesis and biochemical evaluation of a range of (4-substituted phenyl)sulfonate derivatives of 4-hydroxybenzyl imidazole-based compounds as potent inhibitors of 17alpha-hydroxylase/17,20-lyase (P45017alpha) derived from rat testicular microsomes.EBI Bioorg Med Chem Lett 20: 5345-8 (2010) University of the West of Scotland 2D 3D TSV
20674373 84 Design, synthesis, and pharmacological effects of structurally simple ligands for MT(1) and MT(2) melatonin receptors.EBI Bioorg Med Chem 18: 6496-511 (2010) Universit£ degli Studi di Bari 2D 3D TSV
20674368 12 New effective inhibitors of the Abelson kinase.EBI Bioorg Med Chem 18: 6316-21 (2010) Iowa State University 2D 3D TSV
20674358 14 Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 2: Discovery of highly potent anti-HIV agents.EBI Bioorg Med Chem Lett 20: 5334-6 (2010) Chinese Academy of Sciences 2D 3D TSV
20674357 66 Novel imidazobenzazepine derivatives as dual H1/5-HT2A antagonists for the treatment of sleep disorders.EBI Bioorg Med Chem Lett 20: 5069-73 (2010) GlaxoSmithKline 2D 3D TSV
20674356 41 Synthesis of selenophene derivatives as novel CHK1 inhibitors.EBI Bioorg Med Chem Lett 20: 5065-8 (2010) Development Center for Biotechnology 2D 3D TSV
20674355 58 Pyrrolo[1,2-a]pyrazine and pyrazolo[1,5-a]pyrazine: novel, potent, and selective series of Vasopressin 1b receptor antagonists.EBI Bioorg Med Chem Lett 20: 5044-9 (2010) GlaxoSmithKline 2D 3D TSV
20674354 79 Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV.EBI Bioorg Med Chem Lett 20: 5050-3 (2010) Universit£ degli Studi di Firenze 2D 3D TSV
20674352 50 Inhibition of interleukin-1beta converting enzyme (ICE or caspase 1) by aspartyl acyloxyalkyl ketones and aspartyl amidooxyalkyl ketones.EBI Bioorg Med Chem Lett 20: 5089-94 (2010) Pfizer Inc. 2D 3D TSV
20674350 63 Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors.EBI Bioorg Med Chem Lett 20: 5170-4 (2010) Merck Research Laboratories 2D 3D TSV
20674099 48 Inhibition of monoamine oxidase by indole and benzofuran derivatives.EBI Eur J Med Chem 45: 4458-66 (2010) North-West University 2D 3D TSV
20673729 60 Discovery of 2-(4-((1H-1,2,4-triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-thiadiazole (GCC2680) as a potent, selective and orally efficacious cannabinoid-1 receptor antagonist.EBI Bioorg Med Chem 18: 6377-88 (2010) Green Cross Corporation 2D 3D TSV
20673725 22 Design, synthesis and anticholinesterase activity of a novel series of 1-benzyl-4-((6-alkoxy-3-oxobenzofuran-2(3H)-ylidene) methyl) pyridinium derivatives.EBI Bioorg Med Chem 18: 6360-6 (2010) Tehran University of Medical Sciences 2D 3D TSV
20673724 33 Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase.EBI Bioorg Med Chem 18: 6526-37 (2010) Northwestern University 2D 3D TSV
20673718 5 Addressing time-dependent CYP 3A4 inhibition observed in a novel series of substituted amino propanamide renin inhibitors, a case study.EBI Bioorg Med Chem Lett 20: 5074-9 (2010) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
20673717 30 Discovery and structure-activity relationships of a series of pyroglutamic acid amide antagonists of the P2X7 receptor.EBI Bioorg Med Chem Lett 20: 5080-4 (2010) GlaxoSmithKline 2D 3D TSV
20673630 38 Discovery of a novel class of triazolones as checkpoint kinase inhibitors--hit to lead exploration.EBI Bioorg Med Chem Lett 20: 5133-8 (2010) AstraZeneca R&D Boston 2D 3D TSV
20672825 67 Structure-activity relationships for a novel series of citalopram (1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile) analogues at monoamine transporters.EBI J Med Chem 53: 6112-21 (2010) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
20672822 108 Discovery of (3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid (PF-3882845), an orally efficacious mineralocorticoid receptor (MR) antagonist for hypertension and nephropathy.EBI J Med Chem 53: 5979-6002 (2010) Pfizer Inc. 2D 3D TSV
20672820 92 Discovery of novel cyanodihydropyridines as potent mineralocorticoid receptor antagonists.EBI J Med Chem 53: 5970-8 (2010) Pfizer Inc. 2D 3D TSV
20669983 1 Effects of 7-O substitutions on estrogenic and anti-estrogenic activities of daidzein analogues in MCF-7 breast cancer cells.EBI J Med Chem 53: 6153-63 (2010) Xavier University of Louisiana 2D 3D TSV
20669972 18 Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton.EBI J Med Chem 53: 6100-11 (2010) Georgia Institute of Technology 2D 3D TSV
20669927 41 Medicinal chemistry as a conduit for the modulation of quorum sensing.EBI J Med Chem 53: 7467-89 (2010) The Scripps Research Institute 2D 3D TSV
20667742 3 NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin.EBI Bioorg Med Chem 18: 5835-44 (2010) Kitasato University 2D 3D TSV
20667741 11 Design, synthesis, and biological evaluation of prenylated chalcones as 5-LOX inhibitors.EBI Bioorg Med Chem 18: 5807-15 (2010) University of Hyderabad 2D 3D TSV
20667734 18 Synthesis of a series of novel 2,4,5-trisubstituted selenazole compounds as potential PLTP inhibitors.EBI Bioorg Med Chem Lett 20: 5123-5 (2010) Beijing Institute of Pharmacology and Toxicology 2D 3D TSV
20667732 23 Synthesis and SAR of novel, 4-(phenylsulfamoyl)phenylacetamide mGlu4 positive allosteric modulators (PAMs) identified by functional high-throughput screening (HTS).EBI Bioorg Med Chem Lett 20: 5175-8 (2010) Vanderbilt University Medical Center 2D 3D TSV
20667729 86 Discovery of substituted benzyl tetrazoles as histamine H3 receptor antagonists.EBI Bioorg Med Chem Lett 20: 5165-9 (2010) Evotec (UK) Ltd 2D 3D TSV
20667726 3 Fluorescent retinoid X receptor ligands for fluorescence polarization assay.EBI Bioorg Med Chem Lett 20: 5143-6 (2010) Okayama University 2D 3D TSV
20667724 2 Discovery of cannabinoid-1 receptor antagonists by virtual screening.EBI Bioorg Med Chem Lett 20: 5130-2 (2010) Korea Research Institute of Chemical Technology 2D 3D TSV
20666484 40 Novel octreotide dicarba-analogues with high affinity and different selectivity for somatostatin receptors.EBI J Med Chem 53: 6188-97 (2010) University of Firenze 2D 3D TSV
20666458 8 Identification and characterization of acidic mammalian chitinase inhibitors.EBI J Med Chem 53: 6122-8 (2010) Pfizer Inc. 2D 3D TSV
20666457 40 Discovery and mechanistic study of a class of protein arginine methylation inhibitors.EBI J Med Chem 53: 6028-39 (2010) Georgia State University 2D 3D TSV
20666436 56 Dipeptidyl-quinolone derivatives inhibit hypoxia inducible factor-1a prolyl hydroxylases-1, -2, and -3 with altered selectivity.BDB J Comb Chem 12: 676-86 (2010) Amgen, Inc. 2D 3D TSV
20666371 1 Aryl phosphoramidates of 5-phospho erythronohydroxamic acid, a new class of potent trypanocidal compounds.EBI J Med Chem 53: 6071-8 (2010) University of Dundee 2D 3D TSV
20665773 16 Structural and thermodynamic analyses of ╬▒-L-fucosidase inhibitors.BDB Chembiochem 11: 1971-4 (2010) University of York 2D 3D TSV
20663669 36 Biaryl substituted hydantoin compounds as TACE inhibitors.EBI Bioorg Med Chem Lett 20: 5286-9 (2010) Merck Research Laboratories 2D 3D TSV
20663668 43 A novel series of [3.2.1] azabicyclic biaryl ethers as alpha3beta4 and alpha6/4beta4 nicotinic receptor agonists.EBI Bioorg Med Chem Lett 20: 4749-52 (2010) Pfizer Inc. 2D 3D TSV
20663667 31 Optimization of alpha-ketoamide based p38 inhibitors through modifications to the region that binds to the allosteric site.EBI Bioorg Med Chem Lett 20: 4819-24 (2010) K£mia, Inc. 2D 3D TSV
20662543 18 Synthesis and antiproliferative evaluation of certain indeno[1,2-c]quinoline derivatives. Part 2.EBI J Med Chem 53: 6164-79 (2010) Kaohsiung Medical University 2D 3D TSV
20662542 64 Design, synthesis, and structure-affinity relationships of regioisomeric N-benzyl alkyl ether piperazine derivatives as sigma-1 receptor ligands.EBI J Med Chem 53: 6228-39 (2010) University of Sydney 2D 3D TSV
20660663 11 Expression, purification, and characterization of Aspergillus fumigatus sterol 14-alpha demethylase (CYP51) isoenzymes A and B.EBI Antimicrob Agents Chemother 54: 4225-34 (2010) Swansea University 2D 3D TSV
20659804 19 Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo analgesic activity.EBI Bioorg Med Chem 18: 5938-44 (2010) Ewha Womans University 2D 3D TSV
20659802 52 Hit-to-lead optimization of a series of carboxamides of ethyl 2-amino-4-phenylthiazole-5-carboxylates as novel adenosine A2A receptor antagonists.EBI Bioorg Med Chem Lett 20: 5241-4 (2010) H. Lundbeck A/S 2D 3D TSV
20659801 6 A mutant selective anti-estrogen is a pure antagonist on EREs and AP-1 response elements.EBI Bioorg Med Chem Lett 20: 5258-61 (2010) University of Delaware 2D 3D TSV
20659799 10 New halogenated 3-phenylcoumarins as potent and selective MAO-B inhibitors.EBI Bioorg Med Chem Lett 20: 5157-60 (2010) Universidad de Santiago de Compostela 2D 3D TSV
20656495 56 Multipotent drugs with cholinergic and neuroprotective properties for the treatment of Alzheimer and neuronal vascular diseases. I. Synthesis, biological assessment, and molecular modeling of simple and readily available 2-aminopyridine-, and 2-chloropyridine-3,5-dicarbonitriles.EBI Bioorg Med Chem 18: 5861-72 (2010) Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) 2D 3D TSV
20656494 11 Characterization of new PPARgamma agonists: benzimidazole derivatives-importance of positions 5 and 6, and computational studies on the binding mode.EBI Bioorg Med Chem 18: 5885-95 (2010) Freie Universität Berlin 2D 3D TSV
20656488 61 Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).EBI Bioorg Med Chem Lett 20: 5184-90 (2010) Pfizer Inc. 2D 3D TSV
20656487 45 Fragment-based discovery and optimization of BACE1 inhibitors.EBI Bioorg Med Chem Lett 20: 5329-33 (2010) Evotec UK Ltd 2D 3D TSV
20656484 3 Modification at the acidic domain of RXR agonists has little effect on permissive RXR-heterodimer activation.EBI Bioorg Med Chem Lett 20: 5139-42 (2010) Okayama University 2D 3D TSV
20656482 36 Synthesis and in vitro binding studies of piperazine-alkyl-naphthamides: impact of homology and sulphonamide/carboxamide bioisosteric replacement on the affinity for 5-HT1A, alpha2A, D4.2, D3 and D2L receptors.EBI Bioorg Med Chem Lett 20: 5199-202 (2010) University of Liège 2D 3D TSV
20655754 2 Improved inhibition of the histone acetyltransferase PCAF by an anacardic acid derivative.EBI Bioorg Med Chem 18: 5826-34 (2010) Groningen Research Institute of Pharmacy 2D 3D TSV
20655748 92 Synthesis and SAR of (piperazin-1-yl-phenyl)-arylsulfonamides: a novel series of atypical antipsychotic agents.EBI Bioorg Med Chem Lett 20: 5221-4 (2010) Korea Research Institute of Chemical Technology 2D 3D TSV
20655626 21 Synthesis and CYP24A1 inhibitory activity of (E)-2-(2-substituted benzylidene)- and 2-(2-substituted benzyl)-6-methoxy-tetralones.EBI Eur J Med Chem 45: 4427-34 (2010) Cardiff University 2D 3D TSV
20655219 7 Structure-activity studies on acetylcholinesterase inhibition in the lycorine series of Amaryllidaceae alkaloids.EBI Bioorg Med Chem Lett 20: 5290-4 (2010) McMaster University 2D 3D TSV
20655218 72 A physical properties based approach for the exploration of a 4-hydroxybenzothiazolone series of beta2-adrenoceptor agonists as inhaled long-acting bronchodilators.EBI Bioorg Med Chem Lett 20: 5302-7 (2010) Novartis Institutes for BioMedical Research 2D 3D TSV
20655213 31 Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists.EBI Bioorg Med Chem Lett 20: 5269-73 (2010) Sunesis Pharmaceuticals, Inc. 2D 3D TSV
20655211 18 Triaryl (Z)-olefins suitable for radiolabeling with carbon-11 or fluorine-18 radionuclides for positron emission tomography imaging of cyclooxygenase-2 expression in pathological disease.EBI Bioorg Med Chem Lett 20: 5245-50 (2010) University of Alberta 2D 3D TSV
20655210 3 X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: insights into the rational design of DFG-out binding MAP kinase inhibitors.EBI Bioorg Med Chem Lett 20: 5217-20 (2010) Roche Palo Alto 2D 3D TSV
20655209 18 Synthesis of N-aryl-3-(indol-3-yl)propanamides and their immunosuppressive activities.EBI Bioorg Med Chem Lett 20: 5203-6 (2010) Université de Nantes 2D 3D TSV
20650641 16 Design, synthesis, and biological evaluation of ketoprofen analogs as potent cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem 18: 5855-60 (2010) Shahid Beheshti University of Medical Sciences 2D 3D TSV
20650640 24 Dual inhibitors of inosine monophosphate dehydrogenase and histone deacetylase based on a cinnamic hydroxamic acid core structure.EBI Bioorg Med Chem 18: 5950-64 (2010) University of Minnesota 2D 3D TSV
20650636 118 Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-[[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide] as a clinical candidate.EBI Bioorg Med Chem Lett 20: 5313-9 (2010) F. Hoffmann-La Roche Ltd 2D 3D TSV
20650633 12 Identification of novel monoamine oxidase B inhibitors by structure-based virtual screening.EBI Bioorg Med Chem Lett 20: 5295-8 (2010) Northeastern Ohio Universities 2D 3D TSV
20646926 13 The GABA(A) receptor as a target for photochromic molecules.EBI Bioorg Med Chem 18: 7731-8 (2010) University of Massachusetts 2D 3D TSV
20643554 32 Synthesis of aryl-heteroaryl ureas (AHUs) based on 4-aminoquinoline and their evaluation against the insulin-like growth factor receptor (IGF-1R).EBI Bioorg Med Chem 18: 5995-6005 (2010) San Francisco State University 2D 3D TSV
20643547 39 4-Anilino-6-phenyl-quinoline inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2).EBI Bioorg Med Chem Lett 20: 4738-40 (2010) AstraZeneca R&D Lund 2D 3D TSV
20643546 10 Synthesis and cannabinoid-1 receptor binding affinity of conformationally constrained analogs of taranabant.EBI Bioorg Med Chem Lett 20: 4757-61 (2010) Merck Research Laboratories 2D 3D TSV
20639113 23 An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity.EBI Bioorg Med Chem 18: 5425-40 (2010) Brain Mind Institute 2D 3D TSV
20638853 12 Functional profiling of p53-binding sites in Hdm2 and Hdmx using a genetic selection system.EBI Bioorg Med Chem 18: 6099-108 (2010) Purdue University 2D 3D TSV
20638844 25 1-Methyl-1H-pyrrole-2-carbonitrile containing tetrahydronaphthalene derivatives as non-steroidal progesterone receptor antagonists.EBI Bioorg Med Chem Lett 20: 4816-8 (2010) Pfizer Inc. 2D 3D TSV
20638843 3 Discovery of novel alpha7 nicotinic receptor antagonists.EBI Bioorg Med Chem Lett 20: 4825-30 (2010) Intra-Cellular Therapies, Inc. 2D 3D TSV
20638757 89 Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies.EBI Eur J Med Chem 45: 4307-15 (2010) University of Calcutta 2D 3D TSV
20638756 1 Inhibitors of human neutrophil elastase based on a highly functionalized N-amino-4-imidazolidinone scaffold.EBI Eur J Med Chem 45: 4280-7 (2010) Wichita State University 2D 3D TSV
20638755 15 Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay.EBI Eur J Med Chem 45: 4316-30 (2010) University of Jordan 2D 3D TSV
20638290 9 A new metabotropic glutamate receptor agonist with in vivo anti-allodynic activity.EBI Bioorg Med Chem 18: 6089-98 (2010) The University of Adelaide 2D 3D TSV
20638287 16 Synthesis of novel 3,5-diaryl pyrazole derivatives using combinatorial chemistry as inhibitors of tyrosinase as well as potent anticancer, anti-inflammatory agents.EBI Bioorg Med Chem 18: 6149-55 (2010) Solapur University 2D 3D TSV
20638281 56 Structure and activity relationships of tartrate-based TACE inhibitors.EBI Bioorg Med Chem Lett 20: 4812-5 (2010) Merck Research Laboratories 2D 3D TSV
20638279 46 An orally bioavailable positive allosteric modulator of the mGlu4 receptor with efficacy in an animal model of motor dysfunction.EBI Bioorg Med Chem Lett 20: 4901-5 (2010) Evotec (UK) Ltd 2D 3D TSV
20638278 145 Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists.EBI Bioorg Med Chem Lett 20: 4911-7 (2010) Phenex Pharmaceuticals AG 2D 3D TSV
20637637 46 Role of 2',6'-dimethyl-l-tyrosine (Dmt) in some opioid lead compounds.EBI Bioorg Med Chem 18: 6024-30 (2010) University of Cagliari 2D 3D TSV
20637636 18 Synthesis of pyridazine and thiazole analogs as SGLT2 inhibitors.EBI Bioorg Med Chem 18: 6069-79 (2010) Green Cross Corporation 2D 3D TSV
20637635 180 Further optimization of novel pyrrole 3-carboxamides for targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant.EBI Bioorg Med Chem 18: 6156-69 (2010) Green Cross Corporation 2D 3D TSV
20637634 48 Novel aminopeptidase N (APN/CD13) inhibitors derived from 3-phenylalanyl-N'-substituted-2,6-piperidinedione.EBI Bioorg Med Chem 18: 5981-7 (2010) Shandong University 2D 3D TSV
20637613 4 Tetrahydropyridine derivatives with inhibitory activity on the production of proinflammatory cytokines: part 3.EBI Bioorg Med Chem Lett 20: 4774-8 (2010) Daiichi Sankyo Co., Ltd 2D 3D TSV
20637607 39 3-D-QSAR and docking studies on the neuronal choline transporter.EBI Bioorg Med Chem Lett 20: 4870-7 (2010) Northeastern Ohio Universities Colleges of Medicine and Pharmacy 2D 3D TSV
20637529 15 Design and synthesis of novel isoxazole-based HDAC inhibitors.EBI Eur J Med Chem 45: 4331-8 (2010) Università degli Studi di Milano 2D 3D TSV
20636331 4 Structural combination of established 5-HT(2A) receptor ligands: new aspects of the binding mode.BDB Chem Biol Drug Des 76: 361-6 (2010) University of Mainz 2D 3D TSV
20634081 9 New bioactive halenaquinone derivatives from South Pacific marine sponges of the genus Xestospongia.EBI Bioorg Med Chem 18: 6006-11 (2010) Muséum National d'Histoire Naturelle 2D 3D TSV
20634080 4 Syntheses and pharmacological characterization of novel thiazole derivatives as potential mGluR5 PET ligands.EBI Bioorg Med Chem 18: 6044-54 (2010) ETH Zurich (Swiss Federal Institute of Technology) 2D 3D TSV
20634071 41 Synthesis and biological activity of a series of tetrasubstituted-imidazoles as P2X(7) antagonists.EBI Bioorg Med Chem Lett 20: 4951-4 (2010) GlaxoSmithKline 2D 3D TSV
20634069 42 Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents.EBI Bioorg Med Chem Lett 20: 4789-94 (2010) Elan Pharmaceuticals 2D 3D TSV
20634068 2 Discovery and optimization of pyrazoline compounds as B-Raf inhibitors.EBI Bioorg Med Chem Lett 20: 4800-4 (2010) Millennium Pharmaceuticals, Inc. 2D 3D TSV
20634067 23 Design, synthesis, and structure-activity relationship study of conformationally constrained analogs of indole-3-carboxamides as novel CB1 cannabinoid receptor agonists.EBI Bioorg Med Chem Lett 20: 4918-21 (2010) Schering-Plough Research Institute 2D 3D TSV
20634066 13 Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution.EBI Bioorg Med Chem Lett 20: 4836-9 (2010) Kyoto Pharmaceutical University 2D 3D TSV
20630764 28 N(epsilon)-Modified lysine containing inhibitors for SIRT1 and SIRT2.EBI Bioorg Med Chem 18: 5616-25 (2010) University of Eastern Finland 2D 3D TSV
20630754 33 Synthesis and structure-activity relationship of N-(3-azabicyclo[3.1.0]hex-6-ylmethyl)-5-(2-pyridinyl)-1,3-thiazol-2-amines derivatives as NPY Y5 antagonists.EBI Bioorg Med Chem Lett 20: 4741-4 (2010) GlaxoSmithKline 2D 3D TSV
20630752 40 Discovery and optimization of N-acyl and N-aroylpyrazolines as B-Raf kinase inhibitors.EBI Bioorg Med Chem Lett 20: 4795-9 (2010) Millennium Pharmaceuticals Inc. 2D 3D TSV
20627738 32 Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine.EBI Bioorg Med Chem 18: 4687-93 (2011) National Institute on Aging 2D 3D TSV
20627722 89 Identification of a sulfonamide series of CCR2 antagonists.EBI Bioorg Med Chem Lett 20: 3961-4 (2010) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
20627597 47 Synthesis and biological evaluation of pyrazole derivatives containing thiourea skeleton as anticancer agents.EBI Bioorg Med Chem 18: 4606-14 (2011) Nanjing University 2D 3D TSV
20627594 2 Inhibition of prolyl oligopeptidase with a synthetic unnatural dipeptide.EBI Bioorg Med Chem 18: 4775-82 (2011) The University of Warwick 2D 3D TSV
20627591 20 Design and synthesis of novel hydroxyalkylaminomethylchromones for their IL-5 inhibitory activity.EBI Bioorg Med Chem 18: 4625-9 (2011) Chungnam National University 2D 3D TSV
20627564 51 Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases.EBI Bioorg Med Chem Lett 20: 3863-7 (2010) Walter Reed Army Institute of Research 2D 3D TSV
20627562 1 Cell cycle arrest and cytochrome c-mediated apoptotic induction by MCS-5A is associated with up-regulation of p16(INK4a) in HL-60 cells.EBI Bioorg Med Chem Lett 20: 3880-4 (2010) Kyunggi-Do 2D 3D TSV
20627559 6 Inhibition of ABCG2-mediated drug efflux by naphthopyrones from marine crinoids.EBI Bioorg Med Chem Lett 20: 3848-50 (2010) NCI-Frederick 2D 3D TSV
20627557 9 Design and synthesis of benzoazepin-2-one analogs as allosteric binders targeting the PIF pocket of PDK1.EBI Bioorg Med Chem Lett 20: 3897-902 (2010) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
20627471 54 Synthesis and evaluation of some novel dibenzo[b,d]furan carboxylic acids as potential anti-diabetic agents.EBI Eur J Med Chem 45: 3709-18 (2010) Glenmark Research Center 2D 3D TSV
20626411 14 Fragment-based discovery of novel thymidylate synthase leads by NMR screening and group epitope mapping.BDB Chem Biol Drug Des 76: 218-33 (2010) University of Washington 2D 3D TSV
20625148 51 Chemical validation of phosphodiesterase C as a chemotherapeutic target in Trypanosoma cruzi, the etiological agent of Chagas' disease.EBI Antimicrob Agents Chemother 54: 3738-45 (2010) University of Georgia 2D 3D TSV
20624682 24 Mutation of Phe91 to Asn in human carbonic anhydrase I unexpectedly enhanced both catalytic activity and affinity for sulfonamide inhibitors.EBI Bioorg Med Chem 18: 5498-503 (2010) Balikesir University 2D 3D TSV
20621730 30 Synthesis and biological evaluation of oxazole derivatives as T-type calcium channel blockers.EBI Bioorg Med Chem Lett 20: 4219-22 (2010) Institute of Science and Technology 2D 3D TSV
20621728 19 Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors.EBI Bioorg Med Chem Lett 20: 4156-8 (2010) Takeda San Diego 2D 3D TSV
20621725 9 Structure-based optimization of potent PDK1 inhibitors.EBI Bioorg Med Chem Lett 20: 4095-9 (2010) Nerviano Medical Sciences Srl 2D 3D TSV
20621724 50 Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors.EBI Bioorg Med Chem Lett 20: 4038-44 (2010) Universit£t Heidelberg 2D 3D TSV
20621496 31 The design, synthesis, and evaluation of 8 hybrid DFG-out allosteric kinase inhibitors: a structural analysis of the binding interactions of Gleevec, Nexavar, and BIRB-796.EBI Bioorg Med Chem 18: 5738-48 (2010) The University of Arizona 2D 3D TSV
20621492 6 Genomic action of permanently charged tamoxifen derivatives via estrogen receptor-alpha.EBI Bioorg Med Chem 18: 5593-601 (2010) Instituto Politécnico Nacional 2508 2D 3D TSV
20621488 13 Synthesis and pharmacology of 1-methoxy analogs of CP-47,497.EBI Bioorg Med Chem 18: 5475-82 (2010) Clemson University 2D 3D TSV
20621485 81 Pharmacophore identification, synthesis, and biological evaluation of carboxylated chalcone derivatives as CysLT1 antagonists.EBI Bioorg Med Chem 18: 5519-27 (2010) Zhejiang University 2D 3D TSV
20621478 37 Concise synthesis and CDK/GSK inhibitory activity of the missing 9-azapaullones.EBI Bioorg Med Chem Lett 20: 4940-4 (2010) Trinity College 2D 3D TSV
20621477 3 Synthesis of potent chemical inhibitors of dynamin GTPase.EBI Bioorg Med Chem Lett 20: 4858-64 (2010) Gwangju Institute of Science and Technology 2D 3D TSV
20621473 56 Discovery of potent, selective, and orally bioavailable 3H-spiro[isobenzofuran-1,4'-piperidine] based melanocortin subtype-4 receptor agonists.EBI Bioorg Med Chem Lett 20: 4895-900 (2010) Merck Research Laboratories 2D 3D TSV
20620068 8 Dual-target-directed 1,3-diphenylurea derivatives: BACE 1 inhibitor and metal chelator against Alzheimer's disease.EBI Bioorg Med Chem 18: 5610-5 (2010) Zhejiang University 2D 3D TSV
20620066 4 Substrate specificity and inhibitory study of human airway trypsin-like protease.EBI Bioorg Med Chem 18: 5504-9 (2010) Faculty of Chemistry Gdansk University 2D 3D TSV
20620059 54 Enhanced selectivity profile of pyrazole-urea based DFG-out p38alpha inhibitors.EBI Bioorg Med Chem Lett 20: 4885-91 (2010) Pfizer Inc. 2D 3D TSV
20620058 41 Smoothened antagonists for hair inhibition.EBI Bioorg Med Chem Lett 20: 4932-5 (2010) Pfizer Inc. 2D 3D TSV
20619664 24 Synthesis, binding and bioactivity of gamma-methylene gamma-lactam ecdysone receptor ligands: advantages of QSAR models for flexible receptors.EBI Bioorg Med Chem 18: 5647-60 (2010) CSIRO Molecular and Health Technologies 2D 3D TSV
20619644 5 A newly synthesized, potent tyrosinase inhibitor: 5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol.EBI Bioorg Med Chem Lett 20: 4882-4 (2010) Pusan National University 2D 3D TSV
20617791 70 Biological and conformational evaluation of bifunctional compounds for opioid receptor agonists and neurokinin 1 receptor antagonists possessing two penicillamines.EBI J Med Chem 53: 5491-501 (2010) University of Arizona 2D 3D TSV
20615716 55 Investigations on the 2-thiazolylhydrazyne scaffold: synthesis and molecular modeling of selective human monoamine oxidase inhibitors.EBI Bioorg Med Chem 18: 5715-23 (2010) Università degli Studi di Roma La Sapienza 2D 3D TSV
20615710 20 Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase.EBI Bioorg Med Chem 18: 5634-46 (2010) University of Copenhagen 2D 3D TSV
20615702 28 GPR109a agonists. Part 2: pyrazole-acids as agonists of the human orphan G-protein coupled receptor GPR109a.EBI Bioorg Med Chem Lett 20: 4472-4 (2010) Merck Research Laboratories 2D 3D TSV
20615699 6 LuxR-dependent quorum sensing: computer aided discovery of new inhibitors structurally unrelated to N-acylhomoserine lactones.EBI Bioorg Med Chem Lett 20: 4355-8 (2010) INSA 2D 3D TSV
20615697 49 Carbamoyloximes as novel non-competitive mGlu5 receptor antagonists.EBI Bioorg Med Chem Lett 20: 4371-5 (2010) Gedeon Richter Plc 2D 3D TSV
20615696 28 Pyrido[2,3-b]pyrazines, discovery of TRPV1 antagonists with reduced potential for the formation of reactive metabolites.EBI Bioorg Med Chem Lett 20: 4359-63 (2010) Neurogen Corporation 2D 3D TSV
20615695 25 Peptide deformylase inhibitors with retro-amide scaffold: synthesis and structure-activity relationships.EBI Bioorg Med Chem Lett 20: 4317-9 (2010) Seoul National University 2D 3D TSV
20615694 2 Selective delivery of 2-hydroxy APA to Trypanosoma brucei using the melamine motif.EBI Bioorg Med Chem Lett 20: 4364-6 (2010) University of Dundee 2D 3D TSV
20615693 37 Tricyclic imidazole antagonists of the Neuropeptide S Receptor.EBI Bioorg Med Chem Lett 20: 4704-8 (2010) Merck Research Laboratories 2D 3D TSV
20615692 52 The discovery of potent inhibitors of aldosterone synthase that exhibit selectivity over 11-beta-hydroxylase.EBI Bioorg Med Chem Lett 20: 4324-7 (2010) Novartis Institutes for BioMedical Research 2D 3D TSV
20615583 1 Probing the binding site of curcumin in Escherichia coli and Bacillus subtilis FtsZ--a structural insight to unveil antibacterial activity of curcumin.EBI Eur J Med Chem 45: 4209-14 (2010) National Institute of Pharmaceutical Education and Research 2D 3D TSV
20614940 76 Protein lysine methyltransferase G9a inhibitors: design, synthesis, and structure activity relationships of 2,4-diamino-7-aminoalkoxy-quinazolines.EBI J Med Chem 53: 5844-57 (2010) University of North Carolina at Chapel Hill 2D 3D TSV
20614889 71 Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator.EBI J Med Chem 53: 5801-12 (2010) GlaxoSmithKline 2D 3D TSV
20610153 40 Discovery of 3,9-diazabicyclo[4.2.1]nonanes as potent dual orexin receptor antagonists with sleep-promoting activity in the rat.EBI Bioorg Med Chem Lett 20: 4201-5 (2010) Merck Research Laboratories 2D 3D TSV
20610152 2 Synthesis and biological evaluation of novel biotin-iminoalditol conjugates.EBI Bioorg Med Chem Lett 20: 4077-9 (2010) Technische Universit£t Graz 2D 3D TSV
20609590 10 Efficient synthesis of Hsp90 inhibitor dimers as potential antitumor agents.EBI Bioorg Med Chem 18: 5732-7 (2010) Hokkaido University 2D 3D TSV
20609415 6 Chemical proteomics identifies Nampt as the target of CB30865, an orphan cytotoxic compound.BDB Chem Biol 17: 659-64 (2010) Myriad Pharmaceuticals 2D 3D TSV
20608738 7 ATPases as drug targets: insights from heat shock proteins 70 and 90.EBI J Med Chem 53: 7280-6 (2010) Vernalis R&D Ltd. 2D 3D TSV
20606069 18 Inhibition of antibiotic-resistant Staphylococcus aureus by the broad-spectrum dihydrofolate reductase inhibitor RAB1.EBI Antimicrob Agents Chemother 54: 3825-33 (2010) Oklahoma State University 2D 3D TSV
20606062 6 In vitro potentiation of carbapenems with ME1071, a novel metallo-beta-lactamase inhibitor, against metallo-beta-lactamase- producing Pseudomonas aeruginosa clinical isolates.EBI Antimicrob Agents Chemother 54: 3625-9 (2010) Toho University School of Medicine 2D 3D TSV
20605720 5 Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway.EBI Bioorg Med Chem 18: 4801-11 (2011) St. Jude Children's Research Hospital 2D 3D TSV
20605451 6 C(2)-Symmetric azobenzene-amino acid conjugates and their inhibition of Subtilisin Kexin Isozyme-1.EBI Bioorg Med Chem Lett 20: 3977-81 (2010) Indian Institute of Technology 2D 3D TSV
20605448 3 Design, synthesis and anticancer activity of piperazine hydroxamates and their histone deacetylase (HDAC) inhibitory activity.EBI Bioorg Med Chem Lett 20: 3906-10 (2010) Birla Institute of Technology 2D 3D TSV
20605276 61 1,3-Dioxolane-based ligands incorporating a lactam or imide moiety: structure-affinity/activity relationship at alpha1-adrenoceptor subtypes and at 5-HT1A receptors.EBI Eur J Med Chem 45: 3740-51 (2010) Universit£ degli Studi di Modena e Reggio Emilia 2D 3D TSV
20605099 42 Further delineation of hydrophobic binding sites in dopamine D(2)/D(3) receptors for N-4 substituents on the piperazine ring of the hybrid template 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol.EBI Bioorg Med Chem 18: 5661-74 (2010) Wayne State University 2D 3D TSV
20605094 91 Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors.EBI Bioorg Med Chem Lett 20: 4376-81 (2010) University of Florida 2D 3D TSV
20604568 25 Synthesis and structure-activity relationships of N-(2-oxo-3-oxetanyl)amides as N-acylethanolamine-hydrolyzing acid amidase inhibitors.EBI J Med Chem 53: 5770-81 (2010) University of California 2D 3D TSV
20604564 2 A type-II kinase inhibitor capable of inhibiting the T315I"gatekeeper" mutant of Bcr-Abl.EBI J Med Chem 53: 5439-48 (2010) Harvard Medical School 2D 3D TSV
20599386 46 Evaluation of N-substitution in 6,7-benzomorphan compounds.EBI Bioorg Med Chem 18: 4975-82 (2010) University of Catania 2D 3D TSV
20598892 6 Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase.EBI Bioorg Med Chem 18: 5056-62 (2010) University of Dundee 2D 3D TSV
20598884 48 3-Cyano-5-fluoro-N-arylbenzamides as negative allosteric modulators of mGlu(5): Identification of easily prepared tool compounds with CNS exposure in rats.EBI Bioorg Med Chem Lett 20: 4390-4 (2010) Vanderbilt University Medical Center 2D 3D TSV
20598883 83 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.EBI Bioorg Med Chem Lett 20: 4350-4 (2010) Merck Research Laboratories 2D 3D TSV
20598882 76 Spiroindane based amides as potent and selective MC4R agonists for the treatment of obesity.EBI Bioorg Med Chem Lett 20: 4399-405 (2010) Merck Research Laboratories 2D 3D TSV
20598880 48 Discovery of novel sphingosine kinase-1 inhibitors. Part 2.EBI Bioorg Med Chem Lett 20: 4550-4 (2010) Genzyme Corporation 2D 3D TSV
20598555 3 2-phenyl-1-[4-(2-piperidine-1-yl-ethoxy)benzyl]-1H-benzimidazoles as ligands for the estrogen receptor: synthesis and pharmacological evaluation.EBI Bioorg Med Chem 18: 4905-16 (2010) Freie Universit£t Berlin 2D 3D TSV
20598553 38 Constrained peptidomimetics as antiplasmodial falcipain-2 inhibitors.EBI Bioorg Med Chem 18: 4928-38 (2010) Universit£ di Messina 2D 3D TSV
20598552 24 Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations.EBI Bioorg Med Chem 18: 4873-8 (2010) University of Florida 2D 3D TSV
20598535 21 beta-Secretase (BACE-1) inhibitory effect of biflavonoids.EBI Bioorg Med Chem Lett 20: 4558-60 (2010) Shujitsu University 2D 3D TSV
20598534 105 Synthesis and SAR of azolopyrimidines as potent and selective dipeptidyl peptidase-4 (DPP4) inhibitors for type 2 diabetes.EBI Bioorg Med Chem Lett 20: 4395-8 (2010) Bristol-Myers Squibb 2D 3D TSV
20598533 71 Optimization of privileged structures for selective and potent melanocortin subtype-4 receptor ligands.EBI Bioorg Med Chem Lett 20: 4483-6 (2010) Merck Research Laboratories 2D 3D TSV
20597489 17 Synthesis, fluorine-18 radiolabeling, and biological evaluation of N-((E)-4-fluorobut-2-en-1-yl)-2beta-carbomethoxy-3beta-(4'-halophenyl)nortropanes: candidate radioligands for in vivo imaging of the brain dopamine transporter with positron emission tomography.EBI J Med Chem 53: 5549-57 (2010) Emory University 2D 3D TSV
20597485 3 Structural basis for inhibition of Eg5 by dihydropyrimidines: stereoselectivity of antimitotic inhibitors enastron, dimethylenastron and fluorastrol.EBI J Med Chem 53: 5676-83 (2010) Institute for Cancer Research 2D 3D TSV
20594862 13 Synthesis and CYP24A1 inhibitory activity of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides.EBI Bioorg Med Chem 18: 4939-46 (2010) Cardiff University 2D 3D TSV
20594859 40 Synthesis, molecular modeling, and biological evaluation of cinnamic acid metronidazole ester derivatives as novel anticancer agents.EBI Bioorg Med Chem 18: 4991-6 (2010) Nanjing University 2D 3D TSV
20594847 62 In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part I.EBI Bioorg Med Chem Lett 20: 4715-8 (2010) Novartis Institutes for BioMedical Research 2D 3D TSV
20594845 30 Addressing PXR liabilities of phthalazine-based hedgehog/smoothened antagonists using novel pyridopyridazines.EBI Bioorg Med Chem Lett 20: 4607-10 (2010) Amgen, Inc. 2D 3D TSV
20594842 90 Heteroaryl-linked 5-(1H-benzimidazol-1-yl)-2-thiophenecarboxamides: potent inhibitors of polo-like kinase 1 (PLK1) with improved drug-like properties.EBI Bioorg Med Chem Lett 20: 4587-92 (2010) GlaxoSmithKline 2D 3D TSV
20594841 123 2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors.EBI Bioorg Med Chem Lett 20: 4447-50 (2010) Merck Research Laboratories 2D 3D TSV
20594840 7 Design, synthesis, and structure-activity relationships of pyrazole derivatives as potential FabH inhibitors.EBI Bioorg Med Chem Lett 20: 4657-60 (2010) Nanjing University 2D 3D TSV
20594839 4 Synthesis and pharmacological evaluation of aryl aminosulfonamide derivatives as potent 5-HT(6) receptor antagonists.EBI Bioorg Med Chem Lett 20: 4440-3 (2010) Suven Life Sciences Ltd 2D 3D TSV
20593789 47 Heteroadamantyl cannabinoids.EBI J Med Chem 53: 5656-66 (2010) University of Hawaii at Manoa 2D 3D TSV
20591679 1 Development of chemical probes: toward the mode of action of a methylene-linked di(aryl acetate) E1.EBI Bioorg Med Chem 18: 4917-27 (2010) University College London 2D 3D TSV
20591669 81 In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II.EBI Bioorg Med Chem Lett 20: 4719-23 (2010) Novartis Institutes for BioMedical Research 2D 3D TSV
20591666 66 A new group of oxime carbamates as reversible inhibitors of fatty acid amide hydrolase.EBI Bioorg Med Chem Lett 20: 4406-11 (2010) Università degli Studi di Milano 2D 3D TSV
20591663 23 Identification of novel alpha7 nAChR positive allosteric modulators with the use of pharmacophore in silico screening methods.EBI Bioorg Med Chem Lett 20: 4561-5 (2010) GlaxoSmithKline 2D 3D TSV
20590092 273 Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule.EBI J Med Chem 53: 5511-22 (2010) Universita degli Studi di Firenze 2D 3D TSV
20590088 124 Design and synthesis of novel tricyclic benzoxazines as potent 5-HT(1A/B/D) receptor antagonists leading to the discovery of 6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide (GSK588045).EBI J Med Chem 53: 5827-43 (2010) GlaxoSmithKline 2D 3D TSV
20584613 3 (-)-N-Formylanonaine from Michelia alba as a human tyrosinase inhibitor and antioxidant.EBI Bioorg Med Chem 18: 5241-7 (2010) Kaohsiung Medical University 2D 3D TSV
20584610 90 Design and synthesis of 4-[3,5-dioxo-11-oxa-4,9-diazatricyclo[5.3.1.0(2,6)]undec-4-yl]-2-trifluoromethyl-benzonitriles as androgen receptor antagonists.EBI Bioorg Med Chem Lett 20: 4491-5 (2010) Bristol-Myers Squibb Company 2D 3D TSV
20584609 13 Rational design of a novel peripherally-restricted, orally active CB(1) cannabinoid antagonist containing a 2,3-diarylpyrrole motif.EBI Bioorg Med Chem Lett 20: 4573-7 (2010) Sanofi-aventis R&D 2D 3D TSV
20583856 6 Nantenine as an acetylcholinesterase inhibitor: SAR, enzyme kinetics and molecular modeling investigations.BDB J Enzyme Inhib Med Chem 26: 46-55 (2011) City University of New York Hunter College 2D 3D TSV
20583855 33 Synthesis and antiproliferative activities against Hep-G2 of salicylanide derivatives: potent inhibitors of the epidermal growth factor receptor (EGFR) tyrosine kinase.BDB J Enzyme Inhib Med Chem 26: 37-45 (2011) Nanjing University 2D 3D TSV
20583854 4 Theoretical studies on the molecular basis of HIV-1RT/NNRTIs interactions.BDB J Enzyme Inhib Med Chem 26: 29-36 (2011) Chulalongkorn University 2D 3D TSV
20580563 42 2-acylamino-4,6-diphenylpyridine derivatives as novel GPR54 antagonists with good brain exposure and in vivo efficacy for plasma LH level in male rats.EBI Bioorg Med Chem 18: 5157-71 (2010) Takeda Pharmaceutical Company, Ltd 2D 3D TSV
20580561 33 Pteridine-sulfonamide conjugates as dual inhibitors of carbonic anhydrases and dihydrofolate reductase with potential antitumor activity.EBI Bioorg Med Chem 18: 5081-9 (2010) Instituto Superior T£cnico 2D 3D TSV
20580552 8 NF-kappaB inducing kinase (NIK) inhibitors: identification of new scaffolds using virtual screening.EBI Bioorg Med Chem Lett 20: 4515-20 (2010) University of Namur 2D 3D TSV
20580236 60 Morphinans and isoquinolines: acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors.EBI Bioorg Med Chem 18: 5071-80 (2010) University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI 2D 3D TSV
20580234 43 Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists.EBI Bioorg Med Chem Lett 20: 4521-5 (2010) F. Hoffmann-La Roche Ltd 2D 3D TSV
20580233 82 T-type calcium channel blockers: spiro-piperidine azetidines and azetidinones-optimization, design and synthesis.EBI Bioorg Med Chem Lett 20: 4602-6 (2010) Merck Research Laboratory 2D 3D TSV
20580231 21 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.EBI Bioorg Med Chem Lett 20: 4507-10 (2010) Merck Research Laboratories 2D 3D TSV
20580138 17 Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies.EBI Eur J Med Chem 45: 4004-12 (2010) Gyeongsang National University 2D 3D TSV
20579890 111 Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors.EBI Bioorg Med Chem 18: 5063-70 (2010) Dipartimento di Chimica e Tecnologie del Farmaco Universit£ degli Studi di Roma La Sapienza 2D 3D TSV
20579878 26 Structure-activity relationships and in vivo activity of (1H-pyrazol-4-yl)acetamide antagonists of the P2X(7) receptor.EBI Bioorg Med Chem Lett 20: 4653-6 (2010) GlaxoSmithKline 2D 3D TSV
20579874 150 BACE-1 hydroxyethylamine inhibitors using novel edge-to-face interaction with Arg-296.EBI Bioorg Med Chem Lett 20: 4639-44 (2010) GlaxoSmithKline R&D 2D 3D TSV
20578976 7 Unusual activity pattern of leucine aminopeptidase inhibitors based on phosphorus containing derivatives of methionine and norleucine.BDB J Enzyme Inhib Med Chem 26: 155-61 (2011) Academy of Sciences of the Czech Republic 2D 3D TSV
20578711 19 Solution phase synthesis of a combinatorial library of chalcones and flavones as potent cathepsin V inhibitors.BDB J Comb Chem 12: 687-95 (2010) Universidade Federal de SŃo Carlo 2D 3D TSV
20578699 15 Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.EBI J Med Chem 53: 5229-39 (2010) University of Texas Southwestern Medical Center 2D 3D TSV
20576578 36 ortho-Substituted C-aryl glucosides as highly potent and selective renal sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors.EBI Bioorg Med Chem 18: 4422-32 (2010) Chinese Academy of Sciences 2D 3D TSV
20576577 8 Alpneumines A-H, new anti-melanogenic indole alkaloids from Alstonia pneumatophora.EBI Bioorg Med Chem 18: 4415-21 (2010) Hoshi University 2D 3D TSV
20576575 23 Design, synthesis, and docking of highly hypolipidemic agents: Schizosaccharomyces pombe as a new model for evaluating alpha-asarone-based HMG-CoA reductase inhibitors.EBI Bioorg Med Chem 18: 4238-48 (2010) Instituto Polit£cnico Nacional (IPN) 2D 3D TSV
20576432 16 Celecoxib prodrugs possessing a diazen-1-ium-1,2-diolate nitric oxide donor moiety: synthesis, biological evaluation and nitric oxide release studies.EBI Bioorg Med Chem Lett 20: 4544-9 (2010) University of Alberta 2D 3D TSV
20576431 1 Identification of glycosylated exendin-4 analogue with prolonged blood glucose-lowering activity through glycosylation scanning substitution.EBI Bioorg Med Chem Lett 20: 4631-4 (2010) Shionogi and Co., Ltd 2D 3D TSV
20576329 14 3-Formylchromones: potential antiinflammatory agents.EBI Eur J Med Chem 45: 4058-64 (2010) University of Karachi 2D 3D TSV
20575555 45 Synthesis, inhibitory activity of cholinesterases, and neuroprotective profile of novel 1,8-naphthyridine derivatives.EBI J Med Chem 53: 5129-43 (2010) Universidad Autonoma de Madrid 2D 3D TSV
20575553 7 The pthaladyns: GTP competitive inhibitors of dynamin I and II GTPase derived from virtual screening.EBI J Med Chem 53: 5267-80 (2010) The University of Newcastle 2D 3D TSV
20575550 54 Analysis of the binding of mixed lineage leukemia 1 (MLL1) and histone 3 peptides to WD repeat domain 5 (WDR5) for the design of inhibitors of the MLL1-WDR5 interaction.EBI J Med Chem 53: 5179-85 (2010) University of Michigan 2D 3D TSV
20573509 23 3-Cyano-6-(5-methyl-3-pyrazoloamino)pyridines: selective Aurora A kinase inhibitors.EBI Bioorg Med Chem Lett 20: 4709-11 (2010) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
20573508 31 Aryl sulfonamides containing tetralin allylic amines as potent and selective bradykinin B1 receptor antagonists.EBI Bioorg Med Chem Lett 20: 4593-7 (2010) Amgen Inc. 2D 3D TSV
20573506 39 A specific and direct comparison of the trifluoromethyl and pentafluoro sulfanyl groups on the selective dopamine D(3) antagonist 3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-phenyl-3-azabicyclo[3.1.0]hexane template.EBI Bioorg Med Chem Lett 20: 4566-8 (2010) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
20570529 65 Synthesis and structure-affinity relationships of novel small molecule natural product derivatives capable of discriminating between serotonin 5-HT1A, 5-HT2A, 5-HT2C receptor subtypes.EBI Bioorg Med Chem 18: 4783-92 (2011) University of North Texas Health Science Center 2D 3D TSV
20570528 34 Synthesis and biological evaluation of 5-substituted and 4,5-disubstituted-2-arylamino oxazole TRPV1 antagonists.EBI Bioorg Med Chem 18: 4821-9 (2011) Abbott Laboratories 2D 3D TSV
20570526 84 Synthesis and structure-activity relationship of 6-arylureido-3-pyrrol-2-ylmethylideneindolin-2-one derivatives as potent receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem 18: 4674-86 (2011) National Taiwan University 2D 3D TSV
20570525 56 Discovery of novel purine derivatives with potent and selective inhibitory activity against c-Src tyrosine kinase.EBI Bioorg Med Chem 18: 4615-24 (2011) Chinese Academy of Sciences 2D 3D TSV
20570524 8 Crystallographic and docking studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis.EBI Bioorg Med Chem 18: 4769-74 (2011) Pontif£cia Universidade Cat£lica do Rio Grande do Sul (PUCRS) 2D 3D TSV
20570511 22 Discovery of aminopyridines substituted with benzoxazole as orally active c-Met kinase inhibitors.EBI Bioorg Med Chem Lett 20: 4223-7 (2010) Korea Research Institute of Chemical Technology 2D 3D TSV
20570157 25 Optimization of isochromanone based urotensin II receptor agonists.EBI Bioorg Med Chem 18: 4844-54 (2011) University of Gothenburg 2D 3D TSV
20570156 7 Synthesis and inhibitory activities of novel C-3 substituted azafagomines: a new type of selective inhibitors ofa-L-fucosidases.EBI Bioorg Med Chem 18: 4648-60 (2011) University of Seville 2D 3D TSV
20570148 1 The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase.EBI Bioorg Med Chem Lett 20: 3936-40 (2010) GlaxoSmithKline R&D 2D 3D TSV
20570147 25 Reducing ion channel activity in a series of 4-heterocyclic arylamide FMS inhibitors.EBI Bioorg Med Chem Lett 20: 3925-9 (2010) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
20570146 15 2-Substituted N-aryl piperazines as novel triple reuptake inhibitors for the treatment of depression.EBI Bioorg Med Chem Lett 20: 3941-5 (2010) Roche Palo Alto LLC 2D 3D TSV
20570023 16 Chemistry around imidazopyrazine and ibuprofen: discovery of novel fatty acid amide hydrolase (FAAH) inhibitors.EBI Eur J Med Chem 45: 3564-74 (2010) Universit£ catholique de Louvain 2D 3D TSV
20569083 9 5-Nitro-2,6-dioxohexahydro-4-pyrimidinecarboxamides: synthesis, in vitro antimycobacterial activity, cytotoxicity, and isocitrate lyase inhibition studies.BDB J Enzyme Inhib Med Chem 25: 765-72 (2010) Birla Institute of Technology & Science-Pilani, Hyderabad Campus 2D 3D TSV
20568782 16 Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation.EBI J Med Chem 53: 5347-51 (2010) University of Bologna 2D 3D TSV
20568781 32 Analogues of (3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide (JDTic). Synthesis and in vitro and in vivo opioid receptor antagonist activity.EBI J Med Chem 53: 5290-301 (2010) Research Triangle Institute 2D 3D TSV
20568780 2 (Bis)urea and (bis)thiourea inhibitors of lysine-specific demethylase 1 as epigenetic modulators.EBI J Med Chem 53: 5197-212 (2010) Wayne State University 2D 3D TSV
20568778 15 Spirotetrahydro beta-carbolines (spiroindolones): a new class of potent and orally efficacious compounds for the treatment of malaria.EBI J Med Chem 53: 5155-64 (2010) Novartis Institute for Tropical Diseases 2D 3D TSV
20568732 14 Structurally designed trans-2-phenylcyclopropylamine derivatives potently inhibit histone demethylase LSD1/KDM1 .BDB Biochemistry 49: 6494-503 (2010) RIKEN Systems and Structural Biology Center 2D 3D TSV
20566771 1 Mycobacterium tuberculosis dihydrofolate reductase is not a target relevant to the antitubercular activity of isoniazid.EBI Antimicrob Agents Chemother 54: 3776-82 (2010) Texas A&M University 2D 3D TSV
20566292 6 5-Lipoxygenase-activating protein inhibitors. Part 3: 3-{3-tert-Butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM643)-A potent FLAP inhibitor suitable for topical administration.EBI Bioorg Med Chem Lett 20: 4598-601 (2010) Amira Pharmaceuticals 2D 3D TSV
20566291 55 Pyrazolopyridazine alpha-2-delta-1 ligands for the treatment of neuropathic pain.EBI Bioorg Med Chem Lett 20: 4683-8 (2010) GlaxoSmithKline 2D 3D TSV
20565336 24 Design, synthesis and biological evaluation of CB1 cannabinoid receptor ligands derived from the 1,5-diarylpyrazole scaffold.BDB J Enzyme Inhib Med Chem 26: 222-30 (2011) NanChang University School of Pharmaceutical Science 2D 3D TSV
20565112 55 Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.EBI J Med Chem 53: 5213-28 (2010) Institute of Cancer Research 2D 3D TSV
20565110 7 Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.EBI J Med Chem 53: 5352-5 (2010) Karolinska Institutet 2D 3D TSV
20565075 43 Discovery of the dual orexin receptor antagonist [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (MK-4305) for the treatment of insomnia.EBI J Med Chem 53: 5320-32 (2010) Merck Research Laboratories 2D 3D TSV
20561792 4 Development of tryptase inhibitors derived from thalidomide.EBI Bioorg Med Chem 18: 5323-38 (2010) The University of Tokyo 2D 3D TSV
20561789 6 Allosteric and ATP-competitive kinase inhibitors of mTOR for cancer treatment.EBI Bioorg Med Chem Lett 20: 4308-12 (2010) Sanofi-Aventis 2D 3D TSV
20561788 33 Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 1: Tuning the N-substituents.EBI Bioorg Med Chem Lett 20: 4012-4 (2010) Chinese Academy of Sciences 2D 3D TSV
20561787 46 Design and evaluation of 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines as inhibitors of checkpoint and other kinases.EBI Bioorg Med Chem Lett 20: 4045-9 (2010) Institute of Cancer Research 2D 3D TSV
20561786 77 Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: identification of candidates for clinical development.EBI Bioorg Med Chem Lett 20: 4210-4 (2010) Johnson& Johnson Pharmaceutical Research& Development L.L.C. 2D 3D TSV
20560643 71 Improving metabolic stability by glycosylation: bifunctional peptide derivatives that are opioid receptor agonists and neurokinin 1 receptor antagonists.EBI J Med Chem 52: 5164-75 (2010) University of Arizona 2D 3D TSV
20560595 21 (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor.EBI J Med Chem 53: 5186-96 (2010) Chemical Diversity Research Institute 2D 3D TSV
20558073 28 Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer.EBI Bioorg Med Chem 18: 5352-66 (2010) Purdue University 2D 3D TSV
20558072 45 Design, synthesis and evaluation of 2-amino-4-m-bromoanilino-6-arylmethyl-7H-pyrrolo[2,3-d]pyrimidines as tyrosine kinase inhibitors and antiangiogenic agents.EBI Bioorg Med Chem 18: 5261-73 (2010) Duquesne University 2D 3D TSV
20558059 19 Structure-activity relationships and hepatic safety risks of thiazole agonists of the thrombopoietin receptor.EBI Bioorg Med Chem Lett 20: 4069-72 (2010) Pfizer Inc. 2D 3D TSV
20557982 7 Synthesis and evaluation of quinazolinone derivatives as inhibitors of NF-kappaB, AP-1 mediated transcription and eIF-4E mediated translational activation: inhibitors of multi-pathways involve in cancer.EBI Eur J Med Chem 45: 3558-63 (2010) B. V. Patel Pharmaceutical Education and Research Development Centre 2D 3D TSV
20557099 8 Thiadiazole carbamates: potent inhibitors of lysosomal acid lipase and potential Niemann-Pick type C disease therapeutics.EBI J Med Chem 53: 5281-9 (2010) Weill Cornell Medical College 2D 3D TSV
20557054 56 Click chemistry approach to new N-substituted aminocyclitols as potential pharmacological chaperones for Gaucher disease.EBI J Med Chem 53: 5248-55 (2010) Universitat de Barcelona 2D 3D TSV
20554448 1 Synthesis and biodistribution of [11C]A-836339, a new potential radioligand for PET imaging of cannabinoid type 2 receptors (CB2).EBI Bioorg Med Chem 18: 5202-7 (2010) Johns Hopkins Medical Institutions 2D 3D TSV
20554206 10 A novel and one-pot synthesis of new 1-tosyl pyrrol-2-one derivatives and analysis of carbonic anhydrase inhibitory potencies.EBI Bioorg Med Chem 18: 4468-74 (2010) Atat£rk University 2D 3D TSV
20554082 76 Carbonic anhydrase inhibitors. Regioselective synthesis of novel 1-substituted 1,4-dihydro-4-oxo-3-pyridinesulfonamides and their inhibition of the human cytosolic isozymes I and II and transmembrane cancer-associated isozymes IX and XII.EBI Eur J Med Chem 45: 3656-61 (2010) Medical University of Gdansk 2D 3D TSV
20553118 78 Synthesis of 5-amino-1,3,4-thiadiazole-2-sulphonamide derivatives and their inhibition effects on human carbonic anhydrase isozymes.BDB J Enzyme Inhib Med Chem 26: 231-7 (2011) Dumlupinar University 2D 3D TSV
20553023 46 Discovery of potent ligands for estrogen receptor beta by structure-based virtual screening.EBI J Med Chem 53: 5361-5 (2010) East China University of Science and Technology 2D 3D TSV
20550212 25 Fast-forwarding hit to lead: aurora and epidermal growth factor receptor kinase inhibitor lead identification.EBI J Med Chem 53: 4980-8 (2010) National Health Research Institutes 2D 3D TSV
20550146 32 Correlating solution binding and ESI-MS stabilities by incorporating solvation effects in a confined cucurbit[8]uril system.BDB J Phys Chem B 114: 8606-15 (2010) University of Cambridge 2D 3D TSV
20550119 96 Oral oxytocin antagonists.EBI J Med Chem 53: 6525-38 (2010) DrugMolDesign 2D 3D TSV
20550118 69 Isopropylidene substitution increases activity and selectivity of biphenylmethylene 4-pyridine type CYP17 inhibitors.EBI J Med Chem 53: 5049-53 (2010) Saarland University 2D 3D TSV
20547817 1 Stereoselective phosphorylation of cyclopropavir by pUL97 and competitive inhibition by maribavir.EBI Antimicrob Agents Chemother 54: 3093-8 (2010) University of Michigan 2D 3D TSV
20547808 8 Extended-spectrum cephalosporinase in Acinetobacter baumannii.EBI Antimicrob Agents Chemother 54: 3484-8 (2010) INSERM 2D 3D TSV
20547794 1 Structure-activity analysis of vinylogous urea inhibitors of human immunodeficiency virus-encoded ribonuclease H.EBI Antimicrob Agents Chemother 54: 3913-21 (2010) National Cancer Institute-Frederick 2D 3D TSV
20547453 122 Design and synthesis of trivalent ligands targeting opioid, cholecystokinin, and melanocortin receptors for the treatment of pain.EBI Bioorg Med Chem Lett 20: 4080-4 (2010) University of Arizona 2D 3D TSV
20547432 52 QSAR studies of bioactivities of 1-(azacyclyl)-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines as 5-HT6 receptor ligands using physicochemical descriptors and MLR and ANN-modeling.EBI Eur J Med Chem 45: 3911-5 (2010) Islamic Azad University 2D 3D TSV
20545486 1 Synthesis, stability, biochemical and pharmacokinetic properties of a new potent and selective 4-oxo-▀-lactam inhibitor of human leukocyte elastase.BDB J Enzyme Inhib Med Chem 26: 169-75 (2011) University of Lisbon 2D 3D TSV
20545360 38 Novel tacrine-8-hydroxyquinoline hybrids as multifunctional agents for the treatment of Alzheimer's disease, with neuroprotective, cholinergic, antioxidant, and copper-complexing properties.EBI J Med Chem 53: 4927-37 (2010) Instituto de Quimica Medica 2D 3D TSV
20545322 6 Site-specific orthogonal labeling of the carboxy terminus of alpha-tubulin.BDB ACS Chem Biol 5: 777-85 (2010) Binghamton University 2D 3D TSV
20542703 9 Discovery of potent and orally active tricyclic-based FBPase inhibitors.EBI Bioorg Med Chem 18: 5346-51 (2010) Daiichi Sankyo Co., Ltd 2D 3D TSV
20542694 20 Benzofuran-substituted urea derivatives as novel P2Y(1) receptor antagonists.EBI Bioorg Med Chem Lett 20: 4104-7 (2010) GlaxoSmithKline 2D 3D TSV
20542439 115 Synthesis and characterization of selective dopamine D2 receptor antagonists. 2. Azaindole, benzofuran, and benzothiophene analogs of L-741,626.EBI Bioorg Med Chem 18: 5291-300 (2010) Washington University School of Medicine 2D 3D TSV
20542438 41 Discovery of orally available spirodiketopiperazine-based CCR5 antagonists.EBI Bioorg Med Chem 18: 5208-23 (2010) Minase Research Institute 2D 3D TSV
20542427 1 Synthesis and biological activity of glycosyl-1H-1,2,3-triazoles.EBI Bioorg Med Chem Lett 20: 4263-5 (2010) Academy of Sciences of the Czech Republic 2D 3D TSV
20541935 131 4-Substituted-7-N-alkyl-N-acetyl 2-aminobenzothiazole amides: drug-like and non-xanthine based A2B adenosine receptor antagonists.EBI Bioorg Med Chem Lett 20: 4140-6 (2010) Roche Research Center 2D 3D TSV
20541849 21 Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study.EBI Eur J Med Chem 45: 3858-63 (2010) University of Lisbon 2D 3D TSV
20541426 46 Synthesis and structure-activity relationships of N-aryl-piperidine derivatives as potent (partial) agonists for human histamine H3 receptor.EBI Bioorg Med Chem 18: 5441-8 (2010) Meiji Seika Kaisha, Ltd 2D 3D TSV
20541425 191 Synthesis and biological study of 3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines as potent and selective serotonin 5-HT6 receptor antagonists.EBI Bioorg Med Chem 18: 5282-90 (2010) Chemical Diversity Research Institute 2D 3D TSV
20541404 12 Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors.EBI Bioorg Med Chem Lett 20: 4060-4 (2010) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
20540535 48 Triterpene saponins from Clematis chinensis and their potential anti-inflammatory activity.EBI J Nat Prod 73: 1234-9 (2010) Peking University Health Science Center 2D 3D TSV
20540517 16 Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors.EBI J Med Chem 53: 4891-905 (2010) University of California San Francisco 2D 3D TSV
20538469 133 1H-1,2,3-triazol-1-yl thiodigalactoside derivatives as high affinity galectin-3 inhibitors.EBI Bioorg Med Chem 18: 5367-78 (2010) The Hashemite University 2D 3D TSV
20538467 21 Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening.EBI Bioorg Med Chem 18: 5449-56 (2010) Purdue University 2D 3D TSV
20538457 14 Synthesis and molecular docking studies of novel 2-chloro-pyridine derivatives containing flavone moieties as potential antitumor agents.EBI Bioorg Med Chem Lett 20: 4163-7 (2010) Nanjing University 2D 3D TSV
20537545 5 Bacterial transferase MraY inhibitors: synthesis and biological evaluation.EBI Bioorg Med Chem 18: 4560-9 (2010) Universit£ Paris Descartes 2D 3D TSV
20537544 30 Discovery of tetrahydro-beta-carbolines as inhibitors of the mitotic kinesin KSP.EBI Bioorg Med Chem 18: 4167-77 (2010) China Pharmaceutical University 2D 3D TSV
20537438 101 Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods.EBI Eur J Med Chem 45: 3459-71 (2010) East China University of Science and Technology 2D 3D TSV
20536182 36 Discovery and optimization of boronic acid based inhibitors of autotaxin.EBI J Med Chem 53: 4958-67 (2010) Institute 2D 3D TSV
20529687 3 Synthesis and in vivo evaluation of [11C]MPTQ: a potential PET tracer for alpha2A-adrenergic receptors.EBI Bioorg Med Chem Lett 20: 3654-7 (2010) Columbia University 2D 3D TSV
20529685 70 MMP-13 selective isonipecotamide alpha-sulfone hydroxamates.EBI Bioorg Med Chem Lett 20: 3561-4 (2010) Pfizer Research& Development 2D 3D TSV
20529684 112 Orally bioavailable dual MMP-1/MMP-14 sparing, MMP-13 selective alpha-sulfone hydroxamates.EBI Bioorg Med Chem Lett 20: 3557-60 (2010) Pfizer Research& Development 2D 3D TSV
20529682 10 Antitrypanosomal alkaloids from Polyalthia suaveolens (Annonaceae): their effects on three selected glycolytic enzymes of Trypanosoma brucei.EBI Bioorg Med Chem Lett 20: 3495-8 (2010) University of Yaound£ I 2D 3D TSV
20527970 29 6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake inhibitor.EBI J Med Chem 53: 4989-5001 (2010) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
20527969 27 Design, synthesis, and structure-activity relationship studies of novel 2,4,6-trisubstituted-5-pyrimidinecarboxylic acids as peroxisome proliferator-activated receptor gamma (PPARgamma) partial agonists with comparable antidiabetic efficacy to rosiglitazone.EBI J Med Chem 53: 5012-24 (2010) Kyorin Pharmaceutical Co., Ltd. 2D 3D TSV
20527952 14 Computer-aided identification of Trypanosoma brucei uridine diphosphate galactose 4'-epimerase inhibitors: toward the development of novel therapies for African sleeping sickness.EBI J Med Chem 53: 5025-32 (2010) University of California San Diego 2D 3D TSV
20527893 120 Selective hexapeptide agonists and antagonists for human complement C3a receptor.EBI J Med Chem 53: 4938-48 (2010) The University of Queensland 2D 3D TSV
20527892 7 Novel approaches for targeting thymidylate synthase to overcome the resistance and toxicity of anticancer drugs.EBI J Med Chem 53: 6539-49 (2010) Institute of Theoretical Studies gGmbH 2D 3D TSV
20527891 7 Selective synthesis and biological evaluation of sulfate-conjugated resveratrol metabolites.EBI J Med Chem 53: 5033-43 (2010) Purdue University 2D 3D TSV
20527888 43 Mercaptophosphonate compounds as broad-spectrum inhibitors of the metallo-beta-lactamases.EBI J Med Chem 53: 4862-76 (2010) University of Li£ge 2D 3D TSV
20521884 8 Glutathione transferase from Plasmodium falciparum--interaction with malagashanine and selected plant natural products.BDB J Enzyme Inhib Med Chem 25: 854-62 (2010) University of Zimbabwe 2D 3D TSV
20521839 28 Kinesin spindle protein (KSP) inhibitors with 2,3-fused indole scaffolds.EBI J Med Chem 53: 5054-8 (2010) Kyoto University 2D 3D TSV
20518620 16 Synthesis of new 8(S)-HETE analogs and their biological evaluation as activators of the PPAR nuclear receptors.BDB J Enzyme Inhib Med Chem 25: 653-72 (2010) UniversitÚ de Rennes 1 2D 3D TSV
20518551 10 One-pot synthesis of 4,6-diaryl-2-oxo(imino)-1,2-dihydropyridine-3-carbonitrile; a New Scaffold for p38alpha MAP kinase inhibition.BDB J Comb Chem 12: 559-65 (2010) German University in Cairo 2D 3D TSV
20516287 4 In vitro antituberculosis activities of ACH-702, a novel isothiazoloquinolone, against quinolone-susceptible and quinolone-resistant isolates.EBI Antimicrob Agents Chemother 54: 3478-80 (2010) Achillion Pharmaceuticals 2D 3D TSV
20516278 10 PSI-7851, a pronucleotide of beta-D-2'-deoxy-2'-fluoro-2'-C-methyluridine monophosphate, is a potent and pan-genotype inhibitor of hepatitis C virus replication.EBI Antimicrob Agents Chemother 54: 3187-96 (2010) 303A College Road East 2D 3D TSV
20516071 18 Identification and characterization of novel classes of macrophage migration inhibitory factor (MIF) inhibitors with distinct mechanisms of action.BDB J Biol Chem 285: 26581-98 (2010) Ecole Polytechnique Fédérale de Lausanne 2D 3D TSV
20513156 44 Discovery of 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide (AP24534), a potent, orally active pan-inhibitor of breakpoint cluster region-abelson (BCR-ABL) kinase including the T315I gatekeeper mutant.EBI J Med Chem 53: 4701-19 (2010) ARIAD Pharmaceuticals, Inc. 2D 3D TSV
20510622 142 Aromatic beta-amino-ketone derivatives as novel selective non-steroidal progesterone receptor antagonists.EBI Bioorg Med Chem 18: 4255-68 (2010) Chinese Academy of Sciences 2D 3D TSV
20510621 44 A statistical analysis of in vitro human microsomal metabolic stability of small phenyl group substituents, leading to improved design sets for parallel SAR exploration of a chemical series.EBI Bioorg Med Chem 18: 4405-14 (2010) AstraZeneca PLC 2D 3D TSV
20510609 14 Synthesis and evaluation of a new series of Neuropeptide S receptor antagonists.EBI Bioorg Med Chem Lett 20: 4700-3 (2010) Merck Research Laboratories 2D 3D TSV
20509659 182 Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking cessation.EBI J Med Chem 53: 4731-48 (2010) Barrow Neurological Institute 2D 3D TSV
20504026 35 Molecular switch controlling the binding of anionic bile acid conjugates to human apical sodium-dependent bile acid transporter.EBI J Med Chem 53: 4749-60 (2010) University of Maryland 2D 3D TSV
20503989 29 Design, synthesis, and biological evaluation of a novel class of gamma-secretase modulators with PPARgamma activity.EBI J Med Chem 53: 4691-700 (2010) ZAFES/LiFF/Goethe University Frankfurt 2D 3D TSV
20503979 9 Xestosaprols from the Indonesian marine sponge Xestospongia sp.EBI J Nat Prod 73: 1188-91 (2010) University of Hawaii at Manoa 2D 3D TSV
20503967 138 Factor Xa inhibitors: next-generation antithrombotic agents.EBI J Med Chem 53: 6243-74 (2010) Bristol-Myers Squibb Company 2D 3D TSV
20498372 14 Identification of a chemoreceptor for tricarboxylic acid cycle intermediates: differential chemotactic response towards receptor ligands.BDB J Biol Chem 285: 23126-36 (2010) CSIC 2D 3D TSV
20494587 24 Identification of novel quinazolin-4(3H)-ones as inhibitors of thermolysin, the prototype of the M4 family of proteinases.EBI Bioorg Med Chem 18: 4317-27 (2010) University of Troms£ 2D 3D TSV
20494585 27 Peptide fragmentation as an approach in modeling of an active peptide and designing a competitive inhibitory peptide for HMG-CoA reductase.EBI Bioorg Med Chem 18: 4300-9 (2010) Institute of the Chemistry of Plant Substances 2D 3D TSV
20494575 12 Quinlobelane: a water-soluble lobelane analogue and inhibitor of VMAT2.EBI Bioorg Med Chem Lett 20: 3584-7 (2010) University of Kentucky 2D 3D TSV
20493718 16 Synthesis and characterization of N,N-dialkyl and N-alkyl-N-aralkyl fenpropimorph-derived compounds as high affinity ligands for sigma receptors.EBI Bioorg Med Chem 18: 4397-404 (2010) University of Wisconsin School of Medicine and Public Health 2D 3D TSV
20493713 30 Selective angiotensin II AT(2) receptor agonists with reduced CYP 450 inhibition.EBI Bioorg Med Chem 18: 4570-90 (2010) Uppsala University 2D 3D TSV
20493697 37 Non-basic ligands for aminergic GPCRs: the discovery and development diaryl sulfones as selective, orally bioavailable 5-HT2A receptor antagonists for the treatment of sleep disorders.EBI Bioorg Med Chem Lett 20: 3708-12 (2010) Merck Sharp& Dohme 2D 3D TSV
20493695 36 Design of 1-piperazinyl-4-arylphthalazines as potent Smoothened antagonists.EBI Bioorg Med Chem Lett 20: 3618-22 (2010) AMGEN 2D 3D TSV
20493693 5 Prenylcoumarin with Rev-export inhibitory activity from Cnidii Monnieris Fructus.EBI Bioorg Med Chem Lett 20: 3717-20 (2010) Osaka University 2D 3D TSV
20493691 19 Discovery of a series of indan carboxylic acid glycogen phosphorylase inhibitors.EBI Bioorg Med Chem Lett 20: 3511-4 (2010) AstraZeneca 2D 3D TSV
20493688 6 Synthesis and biological activity of oxadiazole and triazolothiadiazole derivatives as tyrosinase inhibitors.EBI Bioorg Med Chem Lett 20: 3755-9 (2010) University Putra Malaysia 2D 3D TSV
20493686 10 New estrogenic compounds isolated from Broussonetia kazinoki.EBI Bioorg Med Chem Lett 20: 3764-7 (2010) Sookmyung Women's University 2D 3D TSV
20493592 25 Validated QSAR analysis of some diaryl substituted pyrazoles as CCR2 inhibitors by various linear and nonlinear multivariate chemometrics methods.EBI Eur J Med Chem 45: 3394-406 (2010) Tehran University of Medical Sciences 2D 3D TSV
20491506 8 Triazole-linked inhibitors of inosine monophosphate dehydrogenase from human and Mycobacterium tuberculosis.EBI J Med Chem 53: 4768-78 (2010) University of Minnesota 2D 3D TSV
20491477 91 Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia.EBI J Med Chem 53: 4603-14 (2010) F. Hoffmann-La Roche Ltd. 2D 3D TSV
20491440 12 Synthesis and biological characterization of the histone deacetylase inhibitor largazole and C7- modified analogues.EBI J Med Chem 53: 4654-67 (2010) Universidade de Vigo 2D 3D TSV
20488718 1 Synthesis and cytotoxicity of novel indirubin-5-carboxamides.EBI Bioorg Med Chem 18: 4509-15 (2010) University of Kaiserslautern 2D 3D TSV
20488717 4 IKKbeta inhibitors identification part II: ligand and structure-based virtual screening.EBI Bioorg Med Chem 18: 3951-60 (2010) Institute of Science and Technology 2D 3D TSV
20488704 28 Synthesis and biological evaluation of bicyclo[3.3.0] octane derivatives as dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 20: 3521-5 (2010) Shanghai Hengrui Pharmaceuticals Co., Ltd 2D 3D TSV
20488702 21 Synthesis and biological evaluation of azobicyclo[3.3.0] octane derivatives as dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 20: 3565-8 (2010) Shanghai Hengrui Pharmaceuticals Co., Ltd 2D 3D TSV
20486938 16 Carbonic anhydrase inhibitors: Inhibition of human erythrocyte isozymes I and II with a series of phenolic acids.BDB Chem Biol Drug Des 75: 515-20 (2010) Ataturk University 2D 3D TSV
20486930 44 The use of biochemical and biophysical tools for triage of high-throughput screening hits - A case study with Escherichia coli phosphopantetheine adenylyltransferase.BDB Chem Biol Drug Des 75: 444-54 (2010) Pfizer, Inc. 2D 3D TSV
20483621 28 Synthesis and structure-activity relationships of 1,2,3,4-tetrahydropyrido[2,3-b]pyrazines as potent and selective inhibitors of the anaplastic lymphoma kinase.EBI Bioorg Med Chem 18: 4351-62 (2010) Cephalon, Inc. 2D 3D TSV
20483614 56 5-arylamino-1,2,4-triazin-6(1H)-one CRF1 receptor antagonists.EBI Bioorg Med Chem Lett 20: 3579-83 (2010) Bristol-Myers Squibb Research and Development 2D 3D TSV
20483612 41 Hit-to-lead optimization of disubstituted oxadiazoles and tetrazoles as mGluR5 NAMs.EBI Bioorg Med Chem Lett 20: 3737-41 (2010) Gedeon Richter Plc 2D 3D TSV
20483611 89 2' biaryl amides as novel and subtype selective M1 agonists. Part I: Identification, synthesis, and initial SAR.EBI Bioorg Med Chem Lett 20: 3540-4 (2010) GlaxoSmithKline 2D 3D TSV
20483608 139 New pyrazolo[1,5a]pyrimidines as orally active inhibitors of Lck.EBI Bioorg Med Chem Lett 20: 3628-31 (2010) Novartis Institute of Biomedical Research 2D 3D TSV
20483606 71 Dihydro-pyrano[2,3-b]pyridines and tetrahydro-1,8-naphthyridines as CB1 receptor inverse agonists: synthesis, SAR and biological evaluation.EBI Bioorg Med Chem Lett 20: 3750-4 (2010) Merck Research Laboratories 2D 3D TSV
20483605 47 Discovery of a novel series of CXCR3 antagonists.EBI Bioorg Med Chem Lett 20: 3614-7 (2010) Merck Serono SA 2D 3D TSV
20483603 106 (2S,4S)-1-[2-(1,1-dimethyl-3-oxo-3-pyrrolidin-1-yl-propylamino)acetyl]-4-fluoro-pyrrolidine-2-carbonitrile: a potent, selective, and orally bioavailable dipeptide-derived inhibitor of dipeptidyl peptidase IV.EBI Bioorg Med Chem Lett 20: 3596-600 (2010) National Health Research Institutes 2D 3D TSV
20483602 23 5-ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.EBI Bioorg Med Chem Lett 20: 3526-9 (2010) Wyeth Research 2D 3D TSV
20483601 22 Investigation of Beckett-Casy model 2: synthesis of novel 15-16 nornaltrexone derivatives and their pharmacology.EBI Bioorg Med Chem Lett 20: 3726-9 (2010) Kitasato University 2D 3D TSV
20483599 81 2' biaryl amides as novel and subtype selective M1 agonists. Part II: Further optimization and profiling.EBI Bioorg Med Chem Lett 20: 3545-9 (2010) GlaxoSmithKline 2D 3D TSV
20481631 5 Unexpected reaction of 2-alkylsulfanylimidazoles to imidazol-2-ones: pyridinylimidazol-2-ones as novel potent p38alpha mitogen-activated protein kinase inhibitors.EBI J Med Chem 53: 4798-802 (2010) Eberhard Karls University of Tubingen 2D 3D TSV
20481595 48 Design of selective, ATP-competitive inhibitors of Akt.EBI J Med Chem 53: 4615-22 (2010) Pfizer Global Research and Development 2D 3D TSV
20481570 81 Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.EBI J Med Chem 53: 4803-7 (2010) Universita di Siena 2D 3D TSV
20481544 3 Rearranged diterpenoids from the biotransformation of ent-trachyloban-18-oic acid by Rhizopus arrhizus.EBI J Nat Prod 73: 1121-5 (2010) Centre de Recherche de Gif 2D 3D TSV
20481538 4 Identification and functional characterization of a stable, centrally active derivative of the neurotensin (8-13) fragment as a potential first-in-class analgesic.EBI J Med Chem 53: 4623-32 (2010) Medical University of South Carolina Campus 2D 3D TSV
20481492 18 Structure-activity relationships in human toll-like receptor 7-active imidazoquinoline analogues.EBI J Med Chem 53: 4450-65 (2010) University of Kansas 2D 3D TSV
20481485 1 Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules.EBI J Med Chem 53: 4793-7 (2010) Sanford-Burnham Medical Research Institute 2D 3D TSV
20481438 33 Design and synthesis of alpha-ketoamides as cathepsin S inhibitors with potential applications against tumor invasion and angiogenesis.EBI J Med Chem 53: 4545-9 (2010) National Tsing Hua University 2D 3D TSV
20478711 12 Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists.EBI Bioorg Med Chem 18: 4446-52 (2010) Kitasato University 2D 3D TSV
20478710 13 Novel tricyclic Delta(2)-isoxazoline and 3-oxo-2-methyl-isoxazolidine derivatives: synthesis and binding affinity at neuronal nicotinic acetylcholine receptor subtypes.EBI Bioorg Med Chem 18: 4498-508 (2010) Universit£ degli Studi di Milano 2D 3D TSV
20478708 28 New hydroxypyrimidinone-containing sulfonamides as carbonic anhydrase inhibitors also acting as MMP inhibitors.EBI Bioorg Med Chem Lett 20: 3623-7 (2010) LNEG 2D 3D TSV
20476840 9 Tyrosinase inhibitory effect of benzoic acid derivatives and their structure-activity relationships.BDB J Enzyme Inhib Med Chem 25: 812-7 (2010) Yonsei University 2D 3D TSV
20476787 5 Sialic acid-mimic peptides as hemagglutinin inhibitors for anti-influenza therapy.EBI J Med Chem 53: 4441-9 (2010) Keio University 2D 3D TSV
20476738 14 Synthesis and evaluation of new endomorphin-2 analogues containing (Z)-alpha,beta-didehydrophenylalanine (Delta(Z)Phe) residues.EBI J Med Chem 53: 4550-4 (2010) Universit£ di Roma 2D 3D TSV
20472448 25 Design, synthesis, and pharmacological evaluation of N-(4-mono and 4,5-disubstituted thiazol-2-yl)-2-aryl-3-(tetrahydro-2H-pyran-4-yl)propanamides as glucokinase activators.EBI Bioorg Med Chem 18: 3875-84 (2010) Chinese Academy of Sciences 2D 3D TSV
20472447 45 Synthesis and biological evaluation of novel (4 or 5-aryl)pyrazolyl-indoles as inhibitors of interleukin-2 inducible T-cell kinase (ITK).EBI Bioorg Med Chem 18: 4547-59 (2010) Nycomed Pharma Pvt. Ltd 2D 3D TSV
20472445 23 Synthesis and biological evaluation of 4(5)-(6-methylpyridin-2-yl)imidazoles and -pyrazoles as transforming growth factor-beta type 1 receptor kinase inhibitors.EBI Bioorg Med Chem 18: 4459-67 (2010) Ewha Womans University 2D 3D TSV
20472442 25 On the inhibition of histone deacetylase 8.EBI Bioorg Med Chem 18: 4103-10 (2010) University of Notre Dame 2D 3D TSV
20472440 1 Design and synthesis of new potent anticancer pyrazoles with high FLT3 kinase inhibitory selectivity.EBI Bioorg Med Chem 18: 3961-73 (2010) Institute of Science and Technology 2D 3D TSV
20472439 37 Dammaranes from Gynostemma pentaphyllum and synthesis of their derivatives as inhibitors of protein tyrosine phosphatase 1B.EBI Bioorg Med Chem 18: 3934-9 (2010) Chinese Academy of Sciences 2D 3D TSV
20472438 17 The scope of thallium nitrate oxidative cyclization of chalcones; synthesis and evaluation of isoflavone and aurone analogs for their inhibitory activity against interleukin-5.EBI Bioorg Med Chem 18: 4441-5 (2010) Chungnam National University 2D 3D TSV
20472433 37 New aminopropandiol derivatives as orally available and short-acting calcium-sensing receptor antagonists.EBI Bioorg Med Chem Lett 20: 3809-13 (2010) Central Pharmaceutical Research Institute 2D 3D TSV
20472432 29 Rapid synthesis of an array of trisubstituted urea-based soluble epoxide hydrolase inhibitors facilitated by a novel solid-phase method.EBI Bioorg Med Chem Lett 20: 3703-7 (2010) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
20472431 32 Design, synthesis and evaluation of 2,4-disubstituted pyrimidines as cholinesterase inhibitors.EBI Bioorg Med Chem Lett 20: 3606-9 (2010) University of Waterloo 2D 3D TSV
20472430 114 Syntheses and structure-activity relationship (SAR) studies of 2,5-diazabicyclo[2.2.1]heptanes as novel alpha7 neuronal nicotinic receptor (NNR) ligands.EBI Bioorg Med Chem Lett 20: 3636-9 (2010) Abbott Park 2D 3D TSV
20472429 80 Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV.EBI Bioorg Med Chem Lett 20: 3601-5 (2010) Istituto di Biostrutture e Bioimmagini-CNR 2D 3D TSV
20472428 27 Mapping the ATP-binding domain of DNA-dependent protein kinase (DNA-PK) with coumarin- and isocoumarin-derived inhibitors.EBI Bioorg Med Chem Lett 20: 3649-53 (2010) Newcastle University 2D 3D TSV
20472330 16 Novel 8-arylated purines as inhibitors of glycogen synthase kinase.EBI Eur J Med Chem 45: 3389-93 (2010) Centre Universitaire 2D 3D TSV
20471843 60 Synthesis and biological evaluation of a new series of berberine derivatives as dual inhibitors of acetylcholinesterase and butyrylcholinesterase.EBI Bioorg Med Chem 18: 4475-84 (2010) Sun Yat-sen University 2D 3D TSV
20471839 4 Synthesis and anti-inflammatory activity of new arylidene-thiazolidine-2,4-diones as PPARgamma ligands.EBI Bioorg Med Chem 18: 3805-11 (2010) Universidade Federal de Pernambuco 2D 3D TSV
20471838 9 Design and synthesis of 2,4-disubstituted polyhydroquinolines as prospective antihyperglycemic and lipid modulating agents.EBI Bioorg Med Chem 18: 4138-48 (2010) Central Drug Research Institute 2D 3D TSV
20471832 60 Discovery of 6-chloro-2-trifluoromethyl-7-aryl-7H-imidazo[1,2-a]imidazol-3-ylmethylamines, a novel class of corticotropin-releasing factor receptor type 1 (CRF1R) antagonists.EBI Bioorg Med Chem Lett 20: 3669-74 (2010) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
20471831 31 The discovery and SAR of indoline-3-carboxamides--a new series of 5-HT6 antagonists.EBI Bioorg Med Chem Lett 20: 3713-6 (2010) Schering-Plough Research Institute 2D 3D TSV
20471829 43 Discovery of 4-[1-[([1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl]carbonyl)amino]cyclopropyl]benzoic acid (MF-766), a highly potent and selective EP4 antagonist for treating inflammatory pain.EBI Bioorg Med Chem Lett 20: 3760-3 (2010) Merck Frosst Canada Ltd 2D 3D TSV
20471275 42 A structure-activity relationship study elucidating the mechanism of sequence-specific collagen recognition by the chaperone HSP47.EBI Bioorg Med Chem 18: 3767-75 (2010) Waseda University 2D 3D TSV
20471260 146 Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity.EBI Bioorg Med Chem Lett 20: 3788-92 (2010) Pfizer Global Research and Development 2D 3D TSV
20471258 117 Synthesis and evaluation of azabicyclo[3.2.1]octane derivatives as potent mixed vasopressin antagonists.EBI Bioorg Med Chem Lett 20: 3742-5 (2010) Pfizer Global Research and Development 2D 3D TSV
20471256 53 Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors.EBI Bioorg Med Chem Lett 20: 3821-5 (2010) Pfizer Global Research and Development 2D 3D TSV
20471255 34 Biochemical and biophysical characterization of unique switch pocket inhibitors of p38a.EBI Bioorg Med Chem Lett 20: 5787-92 (2010) Abbott Laboratories 2D 3D TSV
20471253 32 Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines.EBI Bioorg Med Chem Lett 20: 3746-9 (2010) Boehringer-Ingelheim Pharmaceuticals, Inc. 2D 3D TSV
20471252 22 Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.EBI Bioorg Med Chem Lett 20: 3675-9 (2010) Chinese Academy of Sciences 2D 3D TSV
20469868 176 Structure guided design of 5-arylindazole glucocorticoid receptor agonists and antagonists.EBI J Med Chem 53: 4531-44 (2010) GlaxoSmithKline 2D 3D TSV
20466555 2 Design and synthesis of novel Gefitinib analogues with improved anti-tumor activity.EBI Bioorg Med Chem 18: 3812-22 (2010) Southeast University 2D 3D TSV
20466553 6 Synthesis and in vitro toxicity of 4-MTA, its characteristic clandestine synthesis byproducts and related sulfur substituted alpha-alkylthioamphetamines.EBI Bioorg Med Chem 18: 4009-31 (2010) Trinity College 2D 3D TSV
20466543 13 Regiospecific and conformationally restrained analogs of melphalan and DL-2-NAM-7 and their affinities for the large neutral amino acid transporter (system LAT1) of the blood-brain barrier.EBI Bioorg Med Chem Lett 20: 3688-91 (2010) University of Kentucky 2D 3D TSV
20466542 6 1,4-dihydropyrazolo[4,3-d]imidazole phenyl derivatives: a novel type II Raf kinase inhibitors.EBI Bioorg Med Chem Lett 20: 3805-8 (2010) Institute of Science and Technology 2D 3D TSV
20466465 1 Quinolines and structurally related heterocycles as antimalarials.EBI Eur J Med Chem 45: 3245-64 (2010) National Institute of Pharmaceutical Education and Research 2D 3D TSV
20465311 36 Novel alpha-7 nicotinic acetylcholine receptor agonists containing a urea moiety: identification and characterization of the potent, selective, and orally efficacious agonist 1-[6-(4-fluorophenyl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl) urea (SEN34625/WYE-103914).EBI J Med Chem 53: 4379-89 (2010) Siena Biotech SpA 2D 3D TSV
20465278 27 Discovery of a potent, orally active 11beta-hydroxysteroid dehydrogenase type 1 inhibitor for clinical study: identification of (S)-2-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one (AMG 221).EBI J Med Chem 53: 4481-7 (2010) Amgen Inc. 2D 3D TSV
20463018 3 Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.BDB J Biol Chem 285: 22282-90 (2010) The University of Kansas 2D 3D TSV
20462762 19 Inhibition of Mycobacterium tuberculosis tyrosine phosphatase PtpA by synthetic chalcones: kinetics, molecular modeling, toxicity and effect on growth.EBI Bioorg Med Chem 18: 3783-9 (2010) Universidade Federal de Santa Catarina 2D 3D TSV
20462760 70 Substituted 2H-isoquinolin-1-one as potent Rho-Kinase inhibitors. Part 1: Hit-to-lead account.EBI Bioorg Med Chem Lett 20: 3235-9 (2010) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
20462757 15 Molecular docking studies of phlorotannins from Eisenia bicyclis with BACE1 inhibitory activity.EBI Bioorg Med Chem Lett 20: 3211-5 (2010) Pukyong National University 2D 3D TSV
20462271 2 Cryptosphaerolide, a cytotoxic Mcl-1 inhibitor from a marine-derived ascomycete related to the genus Cryptosphaeria.EBI J Nat Prod 73: 998-1001 (2010) University of California-San Diego 2D 3D TSV
20462263 127 Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors.EBI J Med Chem 53: 4367-78 (2010) Cyclacel Ltd. 2D 3D TSV
20462258 50 Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating metabolic inactivation: an antedrug approach.EBI J Med Chem 53: 4522-30 (2010) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
20462217 17 Rational design of a topical androgen receptor antagonist for the suppression of sebum production with properties suitable for follicular delivery.EBI J Med Chem 53: 4422-7 (2010) Pfizer Global Research& Development 2D 3D TSV
20462213 6 Biochemical and structural analysis of the binding determinants of a vascular endothelial growth factor receptor peptidic antagonist.EBI J Med Chem 53: 4428-40 (2010) INSERM 2D 3D TSV
20462211 92 Discovery of novel selective norepinephrine reuptake inhibitors: 4-[3-aryl-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)butan-2-ols (WYE-103231).EBI J Med Chem 53: 4511-21 (2010) Pfizer Global Research& Development 2D 3D TSV
20459125 60 Analysis of kinase inhibitor selectivity using a thermodynamics-based partition index.EBI J Med Chem 53: 4502-10 (2010) Amgen Inc. 2D 3D TSV
20457823 8 Lipophilic bisphosphonates are potent inhibitors of Plasmodium liver-stage growth.EBI Antimicrob Agents Chemother 54: 2987-93 (2010) National Institute of Immunology 2D 3D TSV
20457528 22 2,5-Dideoxy-2,5-imino-d-altritol as a new class of pharmacological chaperone for Fabry disease.EBI Bioorg Med Chem 18: 3790-4 (2010) University of Toyama 2D 3D TSV
20457527 42 Synthesis and structure-activity relationships of 2-acylamino-4,6-diphenylpyridine derivatives as novel antagonists of GPR54.EBI Bioorg Med Chem 18: 3841-59 (2010) Takeda Pharmaceutical Company, Ltd 2D 3D TSV
20457525 225 In vitro studies on a class of quinoline containing histamine H3 antagonists.EBI Bioorg Med Chem Lett 20: 3295-300 (2010) Abbott Laboratories 2D 3D TSV
20457522 2 Discovery of a new potent bisamide FMS kinase inhibitor.EBI Bioorg Med Chem Lett 20: 3216-8 (2010) Institute of Science and Technology 2D 3D TSV
20457519 29 3-Indolyl sultams as selective CRTh2 antagonists.EBI Bioorg Med Chem Lett 20: 3287-90 (2010) Athersys, Inc. 2D 3D TSV
20457518 22 Discovery of TRPV1 antagonist ABT-116.EBI Bioorg Med Chem Lett 20: 3291-4 (2010) Abbott Laboratories 2D 3D TSV
20457517 21 Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists.EBI Bioorg Med Chem Lett 20: 3219-22 (2010) Roche Palo Alto LLC 2D 3D TSV
20456959 22 Structure-activity relationships of carbocyclic 6-benzylthioinosine analogues as subversive substrates of Toxoplasma gondii adenosine kinase.EBI Bioorg Med Chem 18: 3403-12 (2010) University of Georgia 2D 3D TSV
20456957 96 Serotonin derivatives as a new class of non-ATP-competitive receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem 18: 3387-402 (2010) Universit£t Leipzig 2D 3D TSV
20455574 9 Site-activated chelators targeting acetylcholinesterase and monoamine oxidase for Alzheimer's therapy.BDB ACS Chem Biol 5: 603-10 (2010) The Weizmann Institute of Science 2D 3D TSV
20455563 49 Discovery and structure-activity relationship of 3-methoxy-N-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)benzamide (APD791): a highly selective 5-hydroxytryptamine2A receptor inverse agonist for the treatment of arterial thrombosis.EBI J Med Chem 53: 4412-21 (2010) Arena Pharmaceuticals 2D 3D TSV
20452776 29 Synthesis and characterization of potent inhibitors of Trypanosoma cruzi dihydrofolate reductase.EBI Bioorg Med Chem 18: 4056-66 (2010) University of Alabama 2D 3D TSV
20452769 74 Synthesis of 4-[(diethylamino)methyl]-phenol derivatives as novel cholinesterase inhibitors with selectivity towards butyrylcholinesterase.EBI Bioorg Med Chem Lett 20: 3254-8 (2010) Sun Yat-sen University 2D 3D TSV
20452768 3 Synthesis of neurotensin(8-13)-phosphopeptide heterodimers via click chemistry.EBI Bioorg Med Chem Lett 20: 3306-9 (2010) Institute of Radiopharmacy 2D 3D TSV
20452767 65 Modulation of 11beta-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles.EBI Bioorg Med Chem Lett 20: 3265-71 (2010) University of Edinburgh 2D 3D TSV
20452766 96 Studies on two types of PTP1B inhibitors for the treatment of type 2 diabetes: Hologram QSAR for OBA and BBB analogues.EBI Bioorg Med Chem Lett 20: 3329-37 (2010) Tsinghua University 2D 3D TSV
20452228 13 Identification of new non-carboxylic acid containing inhibitors of aldose reductase.EBI Bioorg Med Chem 18: 4049-55 (2010) University of Messina 2D 3D TSV
20452227 15 Analogs of zanamivir with modified C4-substituents as the inhibitors against the group-1 neuraminidases of influenza viruses.EBI Bioorg Med Chem 18: 4074-84 (2010) National Taiwan University 2D 3D TSV
20452226 15 New orally bioavailable 2-aminobenzamide-type histone deacetylase inhibitor possessing a (2-hydroxyethyl)(4-(thiophen-2-yl)benzyl)amino group.EBI Bioorg Med Chem 18: 3925-33 (2010) Kansai University 2D 3D TSV
20452225 49 Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids.EBI Bioorg Med Chem 18: 4119-37 (2010) McGill University 2D 3D TSV
20452224 26 New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides to the dicopper active site.EBI Bioorg Med Chem 18: 4042-8 (2010) King Saud University 2D 3D TSV
20452222 5 Structural determinants for the inhibitory ligands of orotidine-5'-monophosphate decarboxylase.EBI Bioorg Med Chem 18: 4032-41 (2010) University Health Network 2D 3D TSV
20452213 65 Agonist/antagonist modulation in a series of 2-aryl benzimidazole H4 receptor ligands.EBI Bioorg Med Chem Lett 20: 3367-71 (2010) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
20452212 26 Glycine amides as PPARalpha agonists.EBI Bioorg Med Chem Lett 20: 3376-9 (2010) Bayer-Schering Pharma 2D 3D TSV
20452209 64 Discovery of pyrazolyl propionyl cyclohexenamide derivatives as full agonists for the high affinity niacin receptor GPR109A.EBI Bioorg Med Chem Lett 20: 3372-5 (2010) Merck Research Laboratories 2D 3D TSV
20451397 55 Synthesis and biological activity of N-aroyl-tetrahydro-gamma-carbolines.EBI Bioorg Med Chem 18: 3910-24 (2010) Universit£ Lille-Nord de France 2D 3D TSV
20451396 5 Synthesis and NMDA receptor affinity of fluorinated dioxadrol analogues.EBI Bioorg Med Chem 18: 4095-102 (2010) Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhems-Universit£t M£nster 2D 3D TSV
20451394 10 Dual Src and Abl inhibitors target wild type Abl and the AblT315I Imatinib-resistant mutant with different mechanisms.EBI Bioorg Med Chem 18: 3999-4008 (2010) Institute of Molecular Genetics IGM-CNR 2D 3D TSV
20451378 107 Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity.EBI Bioorg Med Chem Lett 20: 3314-21 (2010) S *BIO Pte Ltd 2D 3D TSV
20450197 80 Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors.EBI J Med Chem 53: 4399-411 (2010) Biotie Therapies GmbH 2D 3D TSV
20446735 59 Pyrimidine ribonucleotides with enhanced selectivity as P2Y(6) receptor agonists: novel 4-alkyloxyimino, (S)-methanocarba, and 5'-triphosphate gamma-ester modifications.EBI J Med Chem 53: 4488-501 (2010) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
20446681 158 2-imino-thiazolidin-4-one derivatives as potent, orally active S1P1 receptor agonists.EBI J Med Chem 53: 4198-211 (2010) Actelion Pharmaceuticals Ltd. 2D 3D TSV
20444610 71 Design, synthesis and pharmacological evaluation of novel naphthalenic derivatives as selective MT(1) melatoninergic ligands.EBI Bioorg Med Chem 18: 3426-36 (2010) Univ Lille Nord de France 2D 3D TSV
20444603 2 Flexible ligand recognition of peroxisome proliferator-activated receptor-gamma (PPARgamma).EBI Bioorg Med Chem Lett 20: 3344-7 (2010) Rikkyo University 2D 3D TSV
20444602 66 Anthranilic acid replacements in a niacin receptor agonist.EBI Bioorg Med Chem Lett 20: 3426-30 (2010) Merck& Co. 2D 3D TSV
20444281 18 Novel protein kinase D inhibitors cause potent arrest in prostate cancer cell growth and motility.BDB BMC Chem Biol 10: 5 (2010) University of Pittsburgh 2D 3D TSV
20443629 38 The synthesis and biological evaluation of quinolyl-piperazinyl piperidines as potent serotonin 5-HT1A antagonists.EBI J Med Chem 53: 4066-84 (2010) Pfizer Global Research and Development 2D 3D TSV
20443627 26 BI-97C1, an optically pure Apogossypol derivative as pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins.EBI J Med Chem 53: 4166-76 (2010) Sanford-Burnham Medical Research Institute 2D 3D TSV
20443228 35 1-(2-Ethoxyethyl)-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors.EBI Bioorg Med Chem Lett 20: 3120-4 (2010) Pfizer Global Research and Development 2D 3D TSV
20443227 37 3D-QSAR study of benzene sulfonamide analogs as carbonic anhydrase II inhibitors.EBI Bioorg Med Chem Lett 20: 3089-93 (2010) GITAM University 2D 3D TSV
20443226 15 Cyclopeptide Smac mimetics as antagonists of IAP proteins.EBI Bioorg Med Chem Lett 20: 3043-6 (2010) University of Michigan 2D 3D TSV
20443225 3 Synthesis and SAR of novel isoquinoline CXCR4 antagonists with potent anti-HIV activity.EBI Bioorg Med Chem Lett 20: 3026-30 (2010) GlaxoSmithKline Research and Development 2D 3D TSV
20441222 37 Vaccinia virus virulence factor N1L is a novel promising target for antiviral therapeutic intervention.EBI J Med Chem 53: 3899-906 (2010) Institute for Medical Research 2D 3D TSV
20441176 76 Conformationally constrained kappa receptor agonists: stereoselective synthesis and pharmacological evaluation of 6,8-diazabicyclo[3.2.2]nonane derivatives.EBI J Med Chem 53: 4212-22 (2010) Wilhelms-Universit£t M£nster 2D 3D TSV
20441173 19 2-aminoimidazole amino acids as inhibitors of the binuclear manganese metalloenzyme human arginase I.EBI J Med Chem 53: 4266-76 (2010) University of Pennsylvania 2D 3D TSV
20438080 10 Novel irreversible fluorescent probes targeting the 18 kDa translocator protein: synthesis and biological characterization.EBI J Med Chem 53: 4085-93 (2010) Universit£ di Pisa 2D 3D TSV
20438064 14 Mechanism-based inhibitors of the aspartyl protease plasmepsin II as potential antimalarial agents.EBI J Med Chem 53: 4234-47 (2010) Wayne State University 2D 3D TSV
20434913 16 N-Hydroxybenzimidazole inhibitors of ExsA MAR transcription factor in Pseudomonas aeruginosa: In vitro anti-virulence activity and metabolic stability.EBI Bioorg Med Chem Lett 20: 3380-3 (2010) Paratek Pharmaceuticals, Inc. 2D 3D TSV
20434910 60 Highly potent, non-basic 5-HT6 ligands. Site mutagenesis evidence for a second binding mode at 5-HT6 for antagonism.EBI Bioorg Med Chem Lett 20: 3436-40 (2010) Roche Palo Alto LLC 2D 3D TSV
20434909 41 Novel C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents: Pyridazinylmethylphenyl glucoside congeners.EBI Bioorg Med Chem Lett 20: 3420-5 (2010) Green Cross Corporation 2D 3D TSV
20434817 6 Synthesis of novel peptidomimetics as inhibitors of protozoan cysteine proteases falcipain-2 and rhodesain.EBI Eur J Med Chem 45: 3228-33 (2010) University of Messina 2D 3D TSV
20434334 60 Benzothiophene containing Rho kinase inhibitors: Efficacy in an animal model of glaucoma.EBI Bioorg Med Chem Lett 20: 3361-6 (2010) Kalypsys, Inc. 2D 3D TSV
20434333 111 A vHTS approach for the identification of beta-adrenoceptor ligands.EBI Bioorg Med Chem Lett 20: 3399-404 (2010) 4SC AG 2D 3D TSV
20430631 24 NO-releasing esters show carbonic anhydrase inhibitory action against human isoforms I and II.EBI Bioorg Med Chem 18: 3559-63 (2010) Atat£rk University 2D 3D TSV
20430629 10 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.EBI Bioorg Med Chem 18: 3413-25 (2010) National Hellenic Research Foundation 2D 3D TSV
20430628 21 Virtual screening, selection and development of a benzindolone structural scaffold for inhibition of lumazine synthase.EBI Bioorg Med Chem 18: 3518-34 (2010) Purdue University 2D 3D TSV
20430619 73 8-THP-DHI analogs as potent Type I dual TIE-2/VEGF-R2 receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 20: 3356-60 (2010) Cephalon, Inc. 2D 3D TSV
20430618 21 Optimisation of a pyrazole series of progesterone antagonists; Part 1.EBI Bioorg Med Chem Lett 20: 3384-6 (2010) Pfizer PharmaTherapeutics Division 2D 3D TSV
20430616 36 Discovery of potent, balanced and orally active dual NK1/NK3 receptor ligands.EBI Bioorg Med Chem Lett 20: 3405-8 (2010) F. Hoffmann-La Roche Ltd 2D 3D TSV
20429779 11 Carbocyclic potential DNA minor groove binders and their biological evaluation.BDB J Enzyme Inhib Med Chem 25: 629-34 (2010) Medical University 2D 3D TSV
20429511 6 Second generation analogues of the cancer drug clinical candidate tipifarnib for anti-Chagas disease drug discovery.EBI J Med Chem 53: 3887-98 (2010) University of Washington 2D 3D TSV
20427189 1 A collection of caged compounds for probing roles of local translation in neurobiology.EBI Bioorg Med Chem 18: 7746-52 (2010) University of Toronto 2D 3D TSV
20427184 36 5-Functionalized indazoles as glucocorticoid receptor agonists.EBI Bioorg Med Chem Lett 20: 3017-20 (2010) AMRI 2D 3D TSV
20427100 107 5D-QSAR for spirocyclic sigma1 receptor ligands by Quasar receptor surface modeling.EBI Eur J Med Chem 45: 3116-24 (2010) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
20426472 44 Colloid formation by drugs in simulated intestinal fluid.EBI J Med Chem 53: 4259-65 (2010) University of California-San Francisco 2D 3D TSV
20426456 12 Hasubanan alkaloids with delta-opioid binding affinity from the aerial parts of Stephania japonica.EBI J Nat Prod 73: 988-91 (2010) Griffith University 2D 3D TSV
20426425 2 Drug-resistant aurora A mutants for cellular target validation of the small molecule kinase inhibitors MLN8054 and MLN8237.BDB ACS Chem Biol 5: 563-76 (2010) University of Sheffield 2D 3D TSV
20426423 1 Creating an antibacterial with in vivo efficacy: synthesis and characterization of potent inhibitors of the bacterial cell division protein FtsZ with improved pharmaceutical properties.EBI J Med Chem 53: 3927-36 (2010) Biota Europe Ltd. 2D 3D TSV
20426422 12 Iminochromene inhibitors of dynamins I and II GTPase activity and endocytosis.EBI J Med Chem 53: 4094-102 (2010) The University of Newcastle 2D 3D TSV
20423086 93 Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity.EBI J Med Chem 53: 4028-37 (2010) Merck Research Laboratories 2D 3D TSV
20421396 3 Substrate selectivity and a novel role in inhibitor discrimination by residue 237 in the KPC-2 beta-lactamase.EBI Antimicrob Agents Chemother 54: 2867-77 (2010) Case Western Reserve University 2D 3D TSV
20420456 6 Polyamines in drug discovery: from the universal template approach to the multitarget-directed ligand design strategy.EBI J Med Chem 53: 5906-14 (2010) University of Bologna 2D 3D TSV
20420387 118 Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase.EBI J Med Chem 53: 3973-4001 (2010) GlaxoSmithKline 2D 3D TSV
20417587 14 Synthesis and evaluation of benzoxazinone derivatives on activity of human neutrophil elastase and on hemorrhagic shock-induced lung injury in rats.EBI Eur J Med Chem 45: 3111-5 (2010) Chang Gung University 2D 3D TSV
20417107 64 Design of new potent and selective secretory phospholipase A(2) inhibitors. 6-Synthesis, structure-activity relationships and molecular modelling of 1-substituted-4-[4,5-dihydro-1,2,4-(4H)-oxadiazol-5-one-3-yl(methyl)]-functionalized aryl piperazin/one/dione derivatives.EBI Bioorg Med Chem 18: 3588-600 (2010) Universit£ Paris Diderot 2D 3D TSV
20417098 30 Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists.EBI Bioorg Med Chem Lett 20: 3116-9 (2010) Roche Palo Alto LLC 2D 3D TSV
20416509 14 Utilization of an in vivo reporter for high throughput identification of branched small molecule regulators of hypoxic adaptation.BDB Chem Biol 17: 380-91 (2010) Weill Medical College of Cornell University 2D 3D TSV
20413314 14 Novel estrone mimetics with high 17beta-HSD1 inhibitory activity.EBI Bioorg Med Chem 18: 3494-505 (2010) Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) 2D 3D TSV
20413312 17 Synthesis and opioid activity of novel 6-substituted-6-demethoxy-ethenomorphinans.EBI Bioorg Med Chem 18: 3535-42 (2010) University of Debrecen 2D 3D TSV
20413308 53 Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).EBI Bioorg Med Chem Lett 20: 3050-64 (2010) Johns Hopkins University 2D 3D TSV
20411957 4 Synthesis of DOTA-conjugated multimeric [Tyr3]octreotide peptides via a combination of Cu(I)-catalyzed"click" cycloaddition and thio acid/sulfonyl azide"sulfo-click" amidation and their in vivo evaluation.EBI J Med Chem 53: 3944-53 (2010) Utrecht University 2D 3D TSV
20411954 17 Structure-activity relationships of fluorinated (E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-enone-O-methyloxime (ABP688) derivatives and the discovery of a high affinity analogue as a potential candidate for imaging metabotropic glutamate recepors subtype 5 (mGluR5) with positron emission tomogEBI J Med Chem 53: 4009-17 (2010) ETH Zurich 2D 3D TSV
20409718 1 Synthesis and binding analysis of unique AG2 pentasaccharide to human Siglec-2 using NMR techniques.EBI Bioorg Med Chem 18: 3720-5 (2010) Institute 2D 3D TSV
20409708 65 3-Aryl-5-phenoxymethyl-1,3-oxazolidin-2-ones as positive allosteric modulators of mGluR2 for the treatment of schizophrenia: Hit-to-lead efforts.EBI Bioorg Med Chem Lett 20: 3129-33 (2010) Merck Research Laboratories 2D 3D TSV
20409707 66 Chiral NG-acylated hetarylpropylguanidine-type histamine H2 receptor agonists do not show significant stereoselectivity.EBI Bioorg Med Chem Lett 20: 3173-6 (2010) University of Regensburg 2D 3D TSV
20409618 31 Inhibitors of the RET tyrosine kinase based on a 2-(alkylsulfanyl)-4-(3-thienyl)nicotinonitrile scaffold.EBI Eur J Med Chem 45: 2919-27 (2010) Technische Universit£t Braunschweig 2D 3D TSV
20408553 27 Stereochemical requirements for the mineralocorticoid receptor antagonist activity of dihydropyridines.EBI J Med Chem 53: 4300-4 (2010) Pfizer Global Research& Development 2D 3D TSV
20408551 13 Lessons learned from herbal medicinal products: the example of St. John's Wort (perpendicular).EBI J Nat Prod 73: 1015-21 (2010) Westfalische Wilhelms-Universitat 2D 3D TSV
20408549 50 Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor.EBI J Med Chem 53: 4148-65 (2010) Menarini Ricerche 2D 3D TSV
20408532 3 Synthesis and evaluation of 17alpha-arylestradiols as ligands for estrogen receptor alpha and beta.EBI J Med Chem 53: 4290-4 (2010) Academy of Sciences of the Czech Republic 2D 3D TSV
20408530 98 Novel N2-substituted pyrazolo[3,4-d]pyrimidine adenosine A3 receptor antagonists: inhibition of A3-mediated human glioblastoma cell proliferation.EBI J Med Chem 53: 3954-63 (2010) Universit£ di Pisa 2D 3D TSV
20408529 32 4-hydroxy-1,2,5-oxadiazol-3-yl moiety as bioisoster of the carboxy function. Synthesis, ionization constants, and molecular pharmacological characterization at ionotropic glutamate receptors of compounds related to glutamate and its homologues.EBI J Med Chem 53: 4110-8 (2010) Universit£ degli Studi di Torino 2D 3D TSV
20405928 12 Function-oriented synthesis of simplified caprazamycins: discovery of oxazolidine-containing uridine derivatives as antibacterial agents against drug-resistant bacteria.EBI J Med Chem 53: 3793-813 (2010) Hokkaido University 2D 3D TSV
20405927 13 Structure-based discovery of A2A adenosine receptor ligands.EBI J Med Chem 53: 3748-55 (2010) University of California 2D 3D TSV
20405925 5 Multiple toxin production in the cyanobacterium microcystis: isolation of the toxic protease inhibitor cyanopeptolin 1020.EBI J Nat Prod 73: 980-4 (2010) University of Basel 2D 3D TSV
20405922 53 Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).EBI J Med Chem 53: 3814-30 (2010) Bristol-Myers Squibb Research and Development 2D 3D TSV
20405848 48 Design, synthesis, and interaction study of quinazoline-2(1H)-thione derivatives as novel potential Bcl-xL inhibitors.EBI J Med Chem 53: 3465-79 (2010) Chinese Academy of Sciences 2D 3D TSV
20404117 1 Specificity of induction of the vanA and vanB operons in vancomycin-resistant enterococci by telavancin.EBI Antimicrob Agents Chemother 54: 2814-8 (2010) Theravance, Inc. 2D 3D TSV
20403700 76 Synthesis and biological activity of N(4)-phenylsubstituted-6-(2,4-dichloro phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic and antitumor agents.EBI Bioorg Med Chem 18: 3575-87 (2010) Duquesne University 2D 3D TSV
20403696 5 Modifications of C-2 on the pyrroloquinoline template aimed at the development of potent herpesvirus antivirals with improved aqueous solubility.EBI Bioorg Med Chem Lett 20: 3039-42 (2010) Pfizer, Inc. 2D 3D TSV
20403693 60 The contribution of a 2-amino group on receptor tyrosine kinase inhibition and antiangiogenic activity in 4-anilinosubstituted pyrrolo[2,3-d]pyrimidines.EBI Bioorg Med Chem Lett 20: 3177-81 (2010) Duquesne University 2D 3D TSV
20402514 34 The identification of indacaterol as an ultralong-acting inhaled beta2-adrenoceptor agonist.EBI J Med Chem 53: 3675-84 (2010) Novartis Institutes for Biomedical Research 2D 3D TSV
20400309 26 1-(2-(2,2,2-trifluoroethoxy)ethyl-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors.EBI Bioorg Med Chem Lett 20: 3125-8 (2010) Pfizer Global Research and Development 2D 3D TSV
20399652 22 Macrocyclic BACE inhibitors: Optimization of a micromolar hit to nanomolar leads.EBI Bioorg Med Chem Lett 20: 3158-60 (2010) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
20399651 34 Synthesis and structure-activity relationships of a series of (1H-pyrazol-4-yl)acetamide antagonists of the P2X7 receptor.EBI Bioorg Med Chem Lett 20: 3161-4 (2010) GlaxoSmithKline 2D 3D TSV
20399649 41 Insulin-like growth factor-1 receptor (IGF-1R) kinase inhibitors: SAR of a series of 3-[6-(4-substituted-piperazin-1-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridine-2-one.EBI Bioorg Med Chem Lett 20: 3182-5 (2010) Bristol-Myers Squibb Company 2D 3D TSV
20397706 7 Investigation of the bioactive conformation of histamine H3 receptor antagonists by the cyclopropylic strain-based conformational restriction strategy.EBI J Med Chem 53: 3585-93 (2010) Hokkaido University 2D 3D TSV
20397705 208 Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors.EBI J Med Chem 53: 3532-51 (2010) Nerviano Medical Sciences Srl 2D 3D TSV
20395149 11 Synthesis, characterization and vasculoprotective effects of nitric oxide-donating derivatives of chrysin.EBI Bioorg Med Chem 18: 3020-5 (2010) Central South University 2D 3D TSV
20395140 42 Discovery of 5-substituted-N-arylpyridazinones as inhibitors of p38 MAP kinase.EBI Bioorg Med Chem Lett 20: 3146-9 (2010) Pfizer Global Research and Development 2D 3D TSV
20394422 6 Synthesis, chiral high performance liquid chromatographic resolution and enantiospecific activity of a potent new geranylgeranyl transferase inhibitor, 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropionic acid.EBI J Med Chem 53: 3454-64 (2010) University of Southern California 2D 3D TSV
20394379 2 Merging the structural motifs of functionalized amino acids and alpha-aminoamides: compounds with significant anticonvulsant activities.EBI J Med Chem 53: 3756-71 (2010) University of North Carolina 2D 3D TSV
20394377 12 Frontal affinity chromatography-mass spectrometry useful for characterization of new ligands for GPR17 receptor.EBI J Med Chem 53: 3489-501 (2010) University of Pavia 2D 3D TSV
20392639 18 Discovery of 2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide as a potent and CNS penetrable P2X7 receptor antagonist.EBI Bioorg Med Chem Lett 20: 3107-11 (2010) Pfizer St. Louis Research Laboratories 2D 3D TSV
20392638 40 Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides.EBI Bioorg Med Chem Lett 20: 3142-5 (2010) Takeda San Diego 2D 3D TSV
20392637 159 Benzimidazole and imidazole inhibitors of histone deacetylases: Synthesis and biological activity.EBI Bioorg Med Chem Lett 20: 3138-41 (2010) Takeda San Diego 2D 3D TSV
20387815 40 Mono-, di-, and triaryl substituted tetrahydropyrans as cyclooxygenase-2 and tumor growth inhibitors. Synthesis and biological evaluation.EBI J Med Chem 53: 3707-17 (2010) Guru Nanak Dev University 2D 3D TSV
20385875 1 A nonazole CYP51 inhibitor cures Chagas' disease in a mouse model of acute infection.EBI Antimicrob Agents Chemother 54: 2480-8 (2010) University of California 2D 3D TSV
20385558 8 Discovery of PDK1 kinase inhibitors with a novel mechanism of action by ultrahigh throughput screening.BDB J Biol Chem 285: 18838-46 (2010) Merck Research Laboratories 2D 3D TSV
20385498 115 3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 3: Synthesis, metabolic stability, and biological evaluation of optically active analogs.EBI Bioorg Med Chem 18: 3212-23 (2010) Minase Research Institute 2D 3D TSV
20385496 66 Synthesis and evaluation of new N6-substituted adenosine-5'-N-methylcarboxamides as A3 adenosine receptor agonists.EBI Bioorg Med Chem 18: 3078-87 (2010) Monash University 2D 3D TSV
20384344 42 Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active histamine type 3 receptor agonist and evaluation of its antistress activity in mice.EBI J Med Chem 53: 3840-4 (2010) Meiji Seika Kaisha, Ltd. 2D 3D TSV
20384317 1 Glutarimide alkaloids and a terpenoid benzoquinone from Cordia globifera.EBI J Nat Prod 73: 992-4 (2010) Chulabhorn Research Institute 2D 3D TSV
20384315 16 Cytotoxic and NF-kappaB inhibitory constituents of Artocarpus rigida.EBI J Nat Prod 73: 949-55 (2010) The Ohio State University 2D 3D TSV
20383151 2 Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.BDB Nat Chem Biol 6: 359-68 (2010) Dana-Farber Cancer Institute 2D 3D TSV
20382541 31 Structure-activity relationships in a novel series of 7-substituted-aryl quinolines and 5-substituted-aryl benzothiazoles at the metabotropic glutamate receptor subtype 5.EBI Bioorg Med Chem 18: 3026-35 (2010) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
20382540 9 In silico directed chemical probing of the adenosine receptor family.EBI Bioorg Med Chem 18: 3043-52 (2010) Universidade do Minho 2D 3D TSV
20382537 138 Antagonism of 4-substituted 1,4-dihydropyridine-3,5-dicarboxylates toward voltage-dependent L-type Ca2+ channels Ca V 1.3 and Ca V 1.2.EBI Bioorg Med Chem 18: 3147-58 (2010) Northwestern University 2D 3D TSV
20382529 13 Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers.EBI Bioorg Med Chem Lett 20: 2705-8 (2010) Institute of Science and Technology 2D 3D TSV
20382527 26 Design, synthesis and structure-activity relationships of novel biarylamine-based Met kinase inhibitors.EBI Bioorg Med Chem Lett 20: 2998-3002 (2010) Bristol-Myers Squibb Research and Development 2D 3D TSV
20382019 51 Synthesis of 4-(3-biaryl)quinoline sulfones as potent liver X receptor agonists.EBI Bioorg Med Chem Lett 20: 2903-7 (2010) Wyeth Pharmaceuticals 2D 3D TSV
20382018 81 Novel substituted pyrrolidines are high affinity histamine H3 receptor antagonists.EBI Bioorg Med Chem Lett 20: 2755-60 (2010) Johnson& Johnson Pharmaceutical Research& Development L.L.C. 2D 3D TSV
20382016 8 Chromone-2- and -3-carboxylic acids inhibit differently monoamine oxidases A and B.EBI Bioorg Med Chem Lett 20: 2709-12 (2010) Universit£ Magna Graecia di Catanzaro 2D 3D TSV
20381363 13 In vitro TRPV1 activity of piperine derived amides.EBI Bioorg Med Chem 18: 3299-306 (2010) Universidad de Antioquia 2D 3D TSV
20381362 8 Design of pentapeptidic BACE1 inhibitors with carboxylic acid bioisosteres at P1' and P4 positions.EBI Bioorg Med Chem 18: 3175-86 (2010) Kyoto Pharmaceutical University 2D 3D TSV
20381361 43 Structure-activity relationships of bioisosteric replacement of the carboxylic acid in novel androgen receptor pure antagonists.EBI Bioorg Med Chem 18: 3159-68 (2010) Chugai Pharmaceutical Co., Ltd 2D 3D TSV
20381359 17 Synthesis and biological activity of cyclotetrapeptide analogues of the natural HDAC inhibitor FR235222.EBI Bioorg Med Chem 18: 3252-60 (2010) Universit£ degli Studi di Salerno 2D 3D TSV
20380423 1 KDR Kinase Inhibitor Isolated from the Mushroom Boletopsis leucomelas.EBI J Nat Prod 73: 1002-4 (2010) Meiji Pharmaceutical University 2D 3D TSV
20380377 70 Discovery of novel and potent leukotriene B4 receptor antagonists. Part 1.EBI J Med Chem 53: 3502-16 (2010) Roche Research Center 2D 3D TSV
20378363 135 Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent beta-secretase inhibitory leads.EBI Bioorg Med Chem 18: 3088-115 (2010) Applied Science University 2D 3D TSV
20378362 20 3'-(1,2,3-Triazol-1-yl)-3'-deoxythymidine analogs as substrates for human and Ureaplasma parvum thymidine kinase for structure-activity investigations.EBI Bioorg Med Chem 18: 3261-9 (2010) Swedish University Agricultural Sciences 2D 3D TSV
20378348 21 Water-soluble PDE4 inhibitors for the treatment of dry eye.EBI Bioorg Med Chem Lett 20: 2928-32 (2010) Kalypsys, Inc. 2D 3D TSV
20378347 27 Heterocyclic cycloalkanol ethylamines as norepinephrine reuptake inhibitors.EBI Bioorg Med Chem Lett 20: 2809-12 (2010) Wyeth Research 2D 3D TSV
20378346 25 Synthesis and biological activity of 2H-quinolizin-2-one based p38alpha MAP kinase inhibitors.EBI Bioorg Med Chem Lett 20: 2765-9 (2010) Merck Research Laboratories 2D 3D TSV
20378345 72 (-)-Menthylamine derivatives as potent and selective antagonists of transient receptor potential melastatin type-8 (TRPM8) channels.EBI Bioorg Med Chem Lett 20: 2729-32 (2010) Sapienza Universit£ di Roma 2D 3D TSV
20373302 5 The identification of a novel natural activator of p300 histone acetyltranferase provides new insights into the modulation mechanism of this enzyme.BDB Chembiochem 11: 818-27 (2010) Universitá degli Studi di Salerno 2D 3D TSV
20371180 122 Cytotoxicity and inhibition of DNA topoisomerase I of polyhydroxylated triterpenoids and triterpenoid glycosides.EBI Bioorg Med Chem Lett 20: 2790-6 (2010) Stephen F. Austin State University 2D 3D TSV
20371179 37 Discovery of novel leukotriene A4 hydrolase inhibitors based on piperidine and piperazine scaffolds.EBI Bioorg Med Chem Lett 20: 2851-4 (2010) deCODE Chemistry, Inc. 2D 3D TSV
20371178 72 Synthesis of 7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-ylamine and its analogs as bombesin receptor subtype-3 agonists.EBI Bioorg Med Chem Lett 20: 2785-9 (2010) AMRI 2D 3D TSV
20371139 16 Synthesis and pharmacological evaluation of novel substituted 9-deazaxanthines as A2B receptor antagonists.EBI Eur J Med Chem 45: 2884-92 (2010) Universidade de A Coru£a 2D 3D TSV
20369879 21 Bradykinin B1 receptor antagonists as potential therapeutic agents for pain.EBI J Med Chem 53: 5383-99 (2010) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
20364863 30 Evolution of poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors. From concept to clinic.EBI J Med Chem 53: 4561-84 (2010) Johns Hopkins University Brain Science Institute 2D 3D TSV
20363638 3 Sugar-based peptidomimetics as potential inhibitors of the vascular endothelium growth factor binding to neuropilin-1.EBI Bioorg Med Chem 18: 3285-98 (2010) Nancy Universit£-CNRS 2D 3D TSV
20363636 44 Prenylated pterocarpans as bacterial neuraminidase inhibitors.EBI Bioorg Med Chem 18: 3335-44 (2010) Chosun University 2D 3D TSV
20363635 10 Identification of serotonin 5-HT1A receptor partial agonists in ginger.EBI Bioorg Med Chem 18: 3345-51 (2010) Department of Chemistry and Applied Biosciences 2D 3D TSV
20363633 67 Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.EBI Bioorg Med Chem 18: 3307-19 (2010) Pfizer Global Research and Development 2D 3D TSV
20363629 49 Discovery and structural optimization of pyrazole derivatives as novel inhibitors of Cdc25B.EBI Bioorg Med Chem Lett 20: 2876-9 (2010) Chinese Academy of Sciences 2D 3D TSV
20363627 56 Identification and structure-activity relationship of 8-hydroxy-quinoline-7-carboxylic acid derivatives as inhibitors of Pim-1 kinase.EBI Bioorg Med Chem Lett 20: 2801-5 (2010) Universit£ Paris Sud 2D 3D TSV
20363625 69 Identification of a novel series of potent RON receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 20: 2745-9 (2010) MethylGene Inc. 2D 3D TSV
20363624 20 Potent tricyclic pyrazole tetrazole agonists of the nicotinic acid receptor (GPR109a).EBI Bioorg Med Chem Lett 20: 2797-800 (2010) Arena Pharmaceuticals 2D 3D TSV
20363144 4 Synthesis of a biologically active isomer of kotalanol, a naturally occurring glucosidase inhibitor.EBI Bioorg Med Chem 18: 2829-35 (2010) Simon Fraser University 2D 3D TSV
20363133 67 Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N'-diaryl urea inhibitors of soluble epoxide hydrolase.EBI Bioorg Med Chem Lett 20: 2740-4 (2010) Ar£te Therapeutics, Inc. 2D 3D TSV
20363132 34 Probing the cannabinoid CB1/CB2 receptor subtype selectivity limits of 1,2-diarylimidazole-4-carboxamides by fine-tuning their 5-substitution pattern.EBI Bioorg Med Chem Lett 20: 2770-5 (2010) Solvay Pharma 2D 3D TSV
20363131 4 Design of new dopamine D2 receptor ligands: biosynthesis and pharmacological evaluation of the hydroxylated metabolite of LASSBio-581.EBI Bioorg Med Chem Lett 20: 2888-91 (2010) Universidade Federal de Goi£s 2D 3D TSV
20363128 42 Optimization of 7-alkene-3-quinolinecarbonitriles as Src kinase inhibitors.EBI Bioorg Med Chem Lett 20: 2924-7 (2010) Wyeth Research 2D 3D TSV
20363126 50 The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors.EBI Bioorg Med Chem Lett 20: 2897-902 (2010) Pfizer Global Research& Development 2D 3D TSV
20361801 100 Bivalent beta-carbolines as potential multitarget anti-Alzheimer agents.EBI J Med Chem 53: 3611-7 (2010) Friedrich-Schiller-Universitat Jena 2D 3D TSV
20361800 22 5,5'-substituted indirubin-3'-oxime derivatives as potent cyclin-dependent kinase inhibitors with anticancer activity.EBI J Med Chem 53: 3696-706 (2010) Institute of Science and Technology 2D 3D TSV
20359891 13 A prodrug approach towards the development of tricyclic-based FBPase inhibitors.EBI Bioorg Med Chem Lett 20: 2938-41 (2010) Daiichi Sankyo Co., Ltd 2D 3D TSV
20359225 39 Targeting multiple chorismate-utilizing enzymes with a single inhibitor: validation of a three-stage design.EBI J Med Chem 53: 3718-29 (2010) University of California 2D 3D TSV
20356741 1 Synthesis and anti-tumor activities of methyl 2-O-aryl-6-O-aryl'-D-glucopyranosides.EBI Bioorg Med Chem Lett 20: 2855-8 (2010) Ocean University of China 2D 3D TSV
20356739 18 Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2.EBI Bioorg Med Chem Lett 20: 2832-6 (2010) the University of Manchester and Manchester Cancer Research Center 2D 3D TSV
20356736 48 Synthesis and structure-activity relationships of 2-aryl-4-oxazolylmethoxy benzylglycines and 2-aryl-4-thiazolylmethoxy benzylglycines as novel, potent PPARalpha selective activators- PPARalpha and PPARgamma selectivity modulation.EBI Bioorg Med Chem Lett 20: 2933-7 (2010) Bristol-Myers Squibb R&D 2D 3D TSV
20356305 151 Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents.EBI J Med Chem 53: 5085-107 (2010) Ferrara University 2D 3D TSV
20356304 9 alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) antagonists: from bench to bedside.EBI J Med Chem 53: 5367-82 (2010) Novartis Pharma AG 2D 3D TSV
20356098 23 A novel class of antihyperlipidemic agents with low density lipoprotein receptor up-regulation via the adaptor protein autosomal recessive hypercholesterolemia.EBI J Med Chem 53: 3284-95 (2010) Dainippon Sumitomo Pharma Co., Ltd. 2D 3D TSV
20355714 26 Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor.EBI J Med Chem 53: 3517-31 (2010) Takeda Pharmaceutical Company Ltd. 2D 3D TSV
20355713 3 Imaging progesterone receptor in breast tumors: synthesis and receptor binding affinity of fluoroalkyl-substituted analogues of tanaproget.EBI J Med Chem 53: 3349-60 (2010) University of Illinois 2D 3D TSV
20355712 18 Novel 4-(piperidin-4-yl)-1-hydroxypyrazoles as gamma-aminobutyric acid(A) receptor ligands: synthesis, pharmacology, and structure-activity relationships.EBI J Med Chem 53: 3417-21 (2010) University of Copenhagen 2D 3D TSV
20353344 12 Design, synthesis and anticholinesterase activity of some new a-aminobisphosphonates.BDB J Enzyme Inhib Med Chem 25: 827-35 (2010) Tarbiat Modares University 2D 3D TSV
20353152 1 A series of alpha-heterocyclic carboxaldehyde thiosemicarbazones inhibit topoisomerase IIalpha catalytic activity.EBI J Med Chem 53: 3048-64 (2010) Chinese Academy of Sciences 2D 3D TSV
20350951 4 Preclinical evaluation of the antifolate QN254, 5-chloro- N'6'-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine, as an antimalarial drug candidate.EBI Antimicrob Agents Chemother 54: 2603-10 (2010) Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program 2D 3D TSV
20350811 63 Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones.EBI Bioorg Med Chem 18: 2849-63 (2010) King Saud University 2D 3D TSV
20350808 36 Bivalent 5,8,9,13b-tetrahydro-6H-isoquino[1,2-a]isoquinolines and -isoquinolinium salts: novel heterocyclic templates for butyrylcholinesterase inhibitors.EBI Bioorg Med Chem Lett 20: 2946-9 (2010) Friedrich-Schiller-Universit£t Jena 2D 3D TSV
20350807 7 Molecular modelling, synthesis and acetylcholinesterase inhibition of ethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate.EBI Bioorg Med Chem Lett 20: 2950-3 (2010) Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) 2D 3D TSV
20350806 1 Inhibition of gamma-secretase by the CK1 inhibitor IC261 does not depend on CK1delta.EBI Bioorg Med Chem Lett 20: 2958-63 (2010) Technische Universit£t Darmstadt 2D 3D TSV
20350805 1 A rapid oxime linker-based library approach to identification of bivalent inhibitors of the Yersinia pestis protein-tyrosine phosphatase, YopH.EBI Bioorg Med Chem Lett 20: 2813-6 (2010) National Cancer Institute 2D 3D TSV
20350005 45 Identification of phenylsulfone-substituted quinoxaline (WYE-672) as a tissue selective liver X-receptor (LXR) agonist.EBI J Med Chem 53: 3296-304 (2010) Wyeth Pharmaceuticals 2D 3D TSV
20349977 36 Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.EBI J Med Chem 53: 3095-105 (2010) The University of Memphis 2D 3D TSV
20349953 49 Solution phase parallel synthesis of substituted 3-phenylsulfonyl-[1,2,3]triazolo[1,5-a]quinazolines: selective serotonin 5-HT(6) receptor antagonists.BDB J Comb Chem 12: 445-52 (2010) Chemical Diversity Research Institute 2D 3D TSV
20347594 7 Truxillic acid derivatives act as peroxisome proliferator-activated receptor gamma activators.EBI Bioorg Med Chem Lett 20: 2920-3 (2010) Goethe-University Frankfurt 2D 3D TSV
20347593 76 Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.EBI Bioorg Med Chem Lett 20: 2837-42 (2010) Merck Research Laboratories 2D 3D TSV
20347318 49 New aromatic monoesters of alpha-aminoaralkylphosphonic acids as inhibitors of aminopeptidase N/CD13.EBI Bioorg Med Chem 18: 2930-6 (2010) Wroclaw University of Technology 2D 3D TSV
20347317 6 Synthesis and structure-activity relationship studies of peptidomimetic PKB/Akt inhibitors: the significance of backbone interactions.EBI Bioorg Med Chem 18: 2976-85 (2010) The Hebrew University of Jerusalem 2D 3D TSV
20347304 68 Methylene amine substituted arylindenopyrimidines as potent adenosine A(2A)/A(1) antagonists.EBI Bioorg Med Chem Lett 20: 2864-7 (2010) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
20347302 19 Peripheral site acetylcholinesterase inhibitors targeting both inflammation and cholinergic dysfunction.EBI Bioorg Med Chem Lett 20: 2987-90 (2010) Lehigh University 2D 3D TSV
20347301 32 New 5-HT(1A) receptor ligands containing a N'-cyanoisonicotinamidine nucleus: synthesis and in vitro pharmacological evaluation.EBI Bioorg Med Chem Lett 20: 2978-82 (2010) Universit£ di Napoli Federico II 2D 3D TSV
20347298 28 Potent dihydroquinolinone dopamine D2 partial agonist/serotonin reuptake inhibitors for the treatment of schizophrenia.EBI Bioorg Med Chem Lett 20: 2983-6 (2010) Wyeth Research 2D 3D TSV
20347297 61 The discovery and structure-activity relationships of 2-(piperidin-3-yl)-1H-benzimidazoles as selective, CNS penetrating H1-antihistamines for insomnia.EBI Bioorg Med Chem Lett 20: 2916-9 (2010) Neurocrine Biosciences 2D 3D TSV
20347296 49 Synthesis and SAR of heterocyclic carboxylic acid isosteres based on 2-biarylethylimidazole as bombesin receptor subtype-3 (BRS-3) agonists for the treatment of obesity.EBI Bioorg Med Chem Lett 20: 2912-5 (2010) AMRI 2D 3D TSV
20347189 7 Efficient synthesis and identification of novel propane-1,3-diamino bridged CCR5 antagonists with variation on the basic center carrier.EBI Eur J Med Chem 45: 2827-40 (2010) Institute of Materia Medica 2D 3D TSV
20346682 7 Ircinialactams: subunit-selective glycine receptor modulators from Australian sponges of the family Irciniidae.EBI Bioorg Med Chem 18: 2912-9 (2010) The University of Queensland 2D 3D TSV
20346665 30 A-ring modifications on the triazafluorenone core structure and their mGluR1 antagonist properties.EBI Bioorg Med Chem Lett 20: 2474-7 (2010) Merck Research Laboratories 2D 3D TSV
20346664 27 gamma-Lactams as glycinamide replacements in cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists.EBI Bioorg Med Chem Lett 20: 2425-30 (2010) Bristol-Myers Squibb Company 2D 3D TSV
20346663 76 Discovery of novel N-acylsulfonamide analogs as potent and selective EP3 receptor antagonists.EBI Bioorg Med Chem Lett 20: 2639-43 (2010) Minase Research Institute 2D 3D TSV
20346662 4 The development and validation of a novel virtual screening cascade protocol to identify potential serotonin 5-HT(7)R antagonists.EBI Bioorg Med Chem Lett 20: 2465-8 (2010) Polish Academy of Sciences 2D 3D TSV
20346659 48 Amide-based inhibitors of p38alpha MAP kinase. Part 2: design, synthesis and SAR of potent N-pyrimidyl amides.EBI Bioorg Med Chem Lett 20: 2560-3 (2010) Scios Inc. 2D 3D TSV
20346656 25 Identification of GNE-477, a potent and efficacious dual PI3K/mTOR inhibitor.EBI Bioorg Med Chem Lett 20: 2408-11 (2010) Genentech 2D 3D TSV
20346655 117 Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases.EBI Bioorg Med Chem Lett 20: 2452-5 (2010) Abbott Laboratories 2D 3D TSV
20346654 16 Curcumin derivatives inhibit testicular 17beta-hydroxysteroid dehydrogenase 3.EBI Bioorg Med Chem Lett 20: 2549-51 (2010) School of Pharmacy 2D 3D TSV
20346653 14 Amide-based inhibitors of p38alpha MAP kinase. Part 1: discovery of novel N-pyridyl amide lead molecules.EBI Bioorg Med Chem Lett 20: 2556-9 (2010) Scios Inc. 2D 3D TSV
20345102 34 Discovery of tertiary sulfonamides as potent liver X receptor antagonists.EBI J Med Chem 53: 3412-6 (2010) GlaxoSmithKline 2D 3D TSV
20345101 38 Hybrid ortho/allosteric ligands for the adenosine A(1) receptor.EBI J Med Chem 53: 3028-37 (2010) Leiden University 2D 3D TSV
20338760 72 Optimization of arylindenopyrimidines as potent adenosine A(2A)/A(1) antagonists.EBI Bioorg Med Chem Lett 20: 2868-71 (2010) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
20338758 39 Synthesis and evaluation of alkenyl indazoles as selective Aurora kinase inhibitors.EBI Bioorg Med Chem Lett 20: 2443-7 (2010) S*BIO Pte. Ltd 2D 3D TSV
20338757 6 The effect of the pyridyl nitrogen position in pyridylpiperazine sigma ligands.EBI Bioorg Med Chem Lett 20: 2564-5 (2010) University of Maryland 2D 3D TSV
20338520 24 A structure-guided approach to creating covalent FGFR inhibitors.BDB Chem Biol 17: 285-95 (2010) Harvard Medical School 2D 3D TSV
20337495 8 2-MeS-beta,gamma-CCl2-ATP is a potent agent for reducing intraocular pressure.EBI J Med Chem 53: 3305-19 (2010) Bar-Ilan University 2D 3D TSV
20337461 40 Removal of sphingosine 1-phosphate receptor-3 (S1P(3)) agonism is essential, but inadequate to obtain immunomodulating 2-aminopropane-1,3-diol S1P(1) agonists with reduced effect on heart rate.EBI J Med Chem 53: 3154-68 (2010) Mitsubishi Tanabe Pharma Corporation 2D 3D TSV
20337371 79 Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor.EBI J Med Chem 53: 3142-53 (2010) Abbott Laboratories 2D 3D TSV
20335039 1 Design, synthesis and evaluation of novel 2-thiophen-5-yl-3H-quinazolin-4-one analogues as inhibitors of transcription factors NF-kappaB and AP-1 mediated transcriptional activation: Their possible utilization as anti-inflammatory and anti-cancer agents.EBI Bioorg Med Chem 18: 2796-808 (2010) B. V. Patel Pharmaceutical Education and Research Development Centre 2D 3D TSV
20335034 7 Discovery of a new series of Aurora inhibitors through truncation of GSK1070916.EBI Bioorg Med Chem Lett 20: 2552-5 (2010) GlaxoSmithKline 2D 3D TSV
20334371 20 Virtual screening for the identification of novel nonsteroidal glucocorticoid modulators.EBI J Med Chem 53: 3065-74 (2010) Trinity College 2D 3D TSV
20334367 78 Synthesis and SAR of novel 4-morpholinopyrrolopyrimidine derivatives as potent phosphatidylinositol 3-kinase inhibitors.EBI J Med Chem 53: 3169-82 (2010) Wyeth Research 2D 3D TSV
20329799 176 Discovery of a selective small-molecule melanocortin-4 receptor agonist with efficacy in a pilot study of sexual dysfunction in humans.EBI J Med Chem 53: 3183-97 (2010) Pfizer Global Research and Development 2D 3D TSV
20308379 3 In vitro properties of BAL30072, a novel siderophore sulfactam with activity against multiresistant gram-negative bacilli.EBI Antimicrob Agents Chemother 54: 2291-302 (2010) Basilea Pharmaceutica International Ltd. 2D 3D TSV
20308072 8 Biochemical characterization of the cellular glycosylphosphatidylinositol-linked membrane type-6 matrix metalloproteinase.BDB J Biol Chem 285: 16076-86 (2010) Sanford-Burnham Medical Research Institute 2D 3D TSV
20307981 16 Rational design of a pirinixic acid derivative that acts as subtype-selective PPARgamma modulator.EBI Bioorg Med Chem Lett 20: 2469-73 (2010) Goethe-University Frankfurt 2D 3D TSV
20307980 22 B-Raf kinase inhibitors: hit enrichment through scaffold hopping.EBI Bioorg Med Chem Lett 20: 2431-4 (2010) Wyeth Research 2D 3D TSV
20307065 122 The significance of 2-furyl ring substitution with a 2-(para-substituted) aryl group in a new series of pyrazolo-triazolo-pyrimidines as potent and highly selective hA(3) adenosine receptors antagonists: new insights into structure-affinity relationship and receptor-antagonist recognition.EBI J Med Chem 53: 3361-75 (2010) National University of Singapore 2D 3D TSV
20307063 24 Discovery of novel 6,6-heterocycles as transient receptor potential vanilloid (TRPV1) antagonists.EBI J Med Chem 53: 3330-48 (2010) Neurogen Corporation 2D 3D TSV
20304659 3 Conjugates of plumbagin and phenyl-2-amino-1-thioglucoside inhibit MshB, a deacetylase involved in the biosynthesis of mycothiol.EBI Bioorg Med Chem 18: 2501-14 (2010) University of Cape Town 2D 3D TSV
20304656 31 Chromene-3-carboxamide derivatives discovered from virtual screening as potent inhibitors of the tumour maker, AKR1B10.EBI Bioorg Med Chem 18: 2485-90 (2010) Gifu Pharmaceutical University 2D 3D TSV
20304654 79 Synthesis and pharmacological characterization of a new series of 5,7-disubstituted-[1,2,4]triazolo[1,5-a][1,3,5]triazine derivatives as adenosine receptor antagonists: A preliminary inspection of ligand-receptor recognition process.EBI Bioorg Med Chem 18: 2524-36 (2010) National University of Singapore 2D 3D TSV
20304642 41 Discovery of triarylethanolamine inhibitors of the Kv1.5 potassium channel.EBI Bioorg Med Chem Lett 20: 2493-6 (2010) Merck Research Laboratories 2D 3D TSV
20304639 54 Exploration of amino alcohol derivatives as novel, potent, and highly selective sphingosine-1-phosphate receptor subtype-1 agonists.EBI Bioorg Med Chem Lett 20: 2520-4 (2010) Praecis Pharmaceuticals Inc 2D 3D TSV
20304535 2 Synthesis and antiproliferative activity of indolizine derivatives incorporating a cyclopropylcarbonyl group against Hep-G2 cancer cell line.EBI Eur J Med Chem 45: 3184-90 (2010) Nanjing University 2D 3D TSV
20303771 24 Novel 8-(furan-2-yl)-3-substituted thiazolo [5,4-e][1,2,4] triazolo[1,5-c] pyrimidine-2(3H)-thione derivatives as potential adenosine A(2A) receptor antagonists.EBI Bioorg Med Chem 18: 2491-500 (2010) University of Delhi 2D 3D TSV
20303767 5 Assessing the trypanocidal potential of natural and semi-synthetic diketopiperazines from two deep water marine-derived fungi.EBI Bioorg Med Chem 18: 2566-74 (2010) University of California Santa Cruz 2D 3D TSV
20303752 143 1,7-Disubstituted oxyindoles are potent and selective EP(3) receptor antagonists.EBI Bioorg Med Chem Lett 20: 2658-64 (2010) deCODE Chemistry 2D 3D TSV
20303751 4 Conformationally-restricted amino acid analogues bearing a distal sulfonic acid show selective inhibition of system x(c)(-) over the vesicular glutamate transporter.EBI Bioorg Med Chem Lett 20: 2680-3 (2010) The University of Montana 2D 3D TSV
20303626 33 Design and synthesis of 1,4-dihydropyridine derivatives as BACE-1 inhibitors.EBI Eur J Med Chem 45: 2578-90 (2010) Institute of Science and Technology 2D 3D TSV
20303263 87 Novel benzofuran-3-one indole inhibitors of PI3 kinase-alpha and the mammalian target of rapamycin: hit to lead studies.EBI Bioorg Med Chem Lett 20: 2586-90 (2010) Wyeth Research 2D 3D TSV
20302302 40 (1S)-1,5-anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (TS-071) is a potent, selective sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor for type 2 diabetes treatment.EBI J Med Chem 53: 3247-61 (2010) Taisho Pharmaceutical Co., Ltd. 2D 3D TSV
20302301 2 Structure-activity relationships in toll-like receptor-2 agonistic diacylthioglycerol lipopeptides.EBI J Med Chem 53: 3198-213 (2010) University of Kansas 2D 3D TSV
20299227 5 Synthesis and preliminary pharmacological characterisation of a new class of nitrogen-containing bisphosphonates (N-BPs).EBI Bioorg Med Chem 18: 2428-38 (2010) Universit£ degli Studi di Torino 2D 3D TSV
20299220 4 4,7-Dichloro benzothien-2-yl sulfonylaminomethyl boronic acid: first boronic acid-derived beta-lactamase inhibitor with class A, C, and D activity.EBI Bioorg Med Chem Lett 20: 2622-4 (2010) Merck& Co. 2D 3D TSV
20299219 32 Carbonic anhydrase inhibitors. The beta-carbonic anhydrases from the fungal pathogens Cryptococcus neoformans and Candida albicans are strongly inhibited by substituted-phenyl-1H-indole-5-sulfonamides.EBI Bioorg Med Chem Lett 20: 2508-11 (2010) Istanbul University 2D 3D TSV
20299218 52 Identification of potent, highly constrained CGRP receptor antagonists.EBI Bioorg Med Chem Lett 20: 2572-6 (2010) Merck& Co. 2D 3D TSV
20299216 46 Benzyl prolinate derivatives as novel selective KCC2 blockers.EBI Bioorg Med Chem Lett 20: 2542-5 (2010) UCB Pharma SA 2D 3D TSV
20299215 49 Identification and hit-to-lead exploration of a novel series of histamine H4 receptor inverse agonists.EBI Bioorg Med Chem Lett 20: 2516-9 (2010) Argenta Discovery Ltd. 2D 3D TSV
20299214 20 (S)-3-(4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(piperazin-1-yl) propanoic acid compounds: synthesis and biological evaluation of dual PPARalpha/gamma agonists.EBI Bioorg Med Chem Lett 20: 2605-8 (2010) Institute of Pharmacology and Toxicology 2D 3D TSV
20297846 33 Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication.EBI J Med Chem 53: 3376-88 (2010) Genzyme Corp. 2D 3D TSV
20236826 6 Derivatives of schisandrin with increased inhibitory potential on prostaglandin E(2) and leukotriene B(4) formation in vitro.EBI Bioorg Med Chem 18: 2809-15 (2010) University of Graz 2D 3D TSV
20236824 4 Design and synthesis of tricyclic sulfones as gamma-secretase inhibitors with greatly reduced Notch toxicity.EBI Bioorg Med Chem Lett 20: 2591-6 (2010) Merck Research Laboratories 2D 3D TSV
20236823 41 Synthesis and biological evaluation of piperazinyl heterocyclic antagonists of the gonadotropin releasing hormone (GnRH) receptor.EBI Bioorg Med Chem Lett 20: 2512-5 (2010) Wyeth Research 2D 3D TSV
20236734 186 A computational study of the binding of 3-(arylidene) anabaseines to two major brain nicotinic acetylcholine receptors and to the acetylcholine binding protein.EBI Eur J Med Chem 45: 2433-46 (2010) University of Florida 2D 3D TSV
20235752 8 Effects of some drugs on human erythrocyte 6-phosphogluconate dehydrogenase: an in vitro study.BDB J Enzyme Inhib Med Chem 25: 476-9 (2010) Ataturk University 2D 3D TSV
20235688 7 Design, synthesis, and urease inhibition studies of some 1,3,4-oxadiazoles and 1,2,4-triazoles derived from mandelic acid.BDB J Enzyme Inhib Med Chem 25: 572-6 (2010) Quaid-i-Azam University 2D 3D TSV
20233015 6 Nostotrebin 6, a bis(cyclopentenedione) with cholinesterase inhibitory activity isolated from Nostoc sp. str. Lukesovß 27/97.BDB J Enzyme Inhib Med Chem 25: 414-20 (2010) Brno University of Technology 2D 3D TSV
20232824 17 Synthesis and biological evaluation of 8-oxoadenine derivatives as toll-like receptor 7 agonists introducing the antedrug concept.EBI J Med Chem 53: 2964-72 (2010) Dainippon Sumitomo Pharma Co., Ltd. 2D 3D TSV
20231099 9 Synthesis of new beta-1-C-alkylated imino-L-iditols: A comparative study of their activity as beta-glucocerebrosidase inhibitors.EBI Bioorg Med Chem 18: 2645-50 (2010) Universit£ d'Orl£ans& CNRS 2D 3D TSV
20231096 81 Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors.EBI Bioorg Med Chem Lett 20: 2609-13 (2010) Novartis Institutes for Biomedical Research 2D 3D TSV
20231095 11 Design, synthesis and in vitro/in vivo evaluation of orally bioavailable prodrugs of a catechol-O-methyltransferase inhibitor.EBI Bioorg Med Chem Lett 20: 2614-6 (2010) University of Eastern Finland 2D 3D TSV
20227881 12 Discovery of 2-ureidophenyltriazines bearing bridged morpholines as potent and selective ATP-competitive mTOR inhibitors.EBI Bioorg Med Chem Lett 20: 2644-7 (2010) Wyeth Research 2D 3D TSV
20227880 144 Selectivity profiling of novel indene H(1)-antihistamines for the treatment of insomnia.EBI Bioorg Med Chem Lett 20: 2629-33 (2010) Neurocrine Biosciences 2D 3D TSV
20227878 40 Synthesis of substituted N-[3-(3-methoxyphenyl)propyl] amides as highly potent MT(2)-selective melatonin ligands.EBI Bioorg Med Chem Lett 20: 2582-5 (2010) Hong Kong University of Science and Technology 2D 3D TSV
20227877 29 2,5-Disubstituted pyridines as potent GPR119 agonists.EBI Bioorg Med Chem Lett 20: 2577-81 (2010) GlaxoSmithKline 2D 3D TSV
20227876 69 Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase.EBI Bioorg Med Chem Lett 20: 2634-8 (2010) Pfizer Global Research and Development 2D 3D TSV
20226658 5 Effect of essential oils, such as raspberry ketone and its derivatives, on antiandrogenic activity based on in vitro reporter gene assay.EBI Bioorg Med Chem Lett 20: 2111-4 (2010) Meijo University 2D 3D TSV
20223664 36 Triazines incorporating (R)-3-methylmorpholine are potent inhibitors of the mammalian target of rapamycin (mTOR) with selectivity over PI3Kalpha.EBI Bioorg Med Chem Lett 20: 2654-7 (2010) Wyeth Research 2D 3D TSV
20223663 100 2-Arylureidophenyl-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)triazines as highly potent and selective ATP competitive mTOR inhibitors: optimization of human microsomal stability.EBI Bioorg Med Chem Lett 20: 2648-53 (2010) Wyeth Research 2D 3D TSV
20223662 174 Synthesis and biological evaluation of 3-aminopyrrolidine derivatives as CC chemokine receptor 2 antagonists.EBI Bioorg Med Chem Lett 20: 2099-102 (2010) Yangji Chemicals 2D 3D TSV
20223661 48 Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.EBI Bioorg Med Chem Lett 20: 2068-73 (2010) Princ 2D 3D TSV
20223566 23 Inside HDAC with HDAC inhibitors.EBI Eur J Med Chem 45: 2095-116 (2010) Universit£ de Poitiers 2D 3D TSV
20222765 4 Urease inhibitors from Hypericum oblongifolium WALL.BDB J Enzyme Inhib Med Chem 25: 296-9 (2010) University of Peshawar 2D 3D TSV
20222761 21 Semisynthesis of alpha-methyl-gamma-lactones and in vitro evaluation of their activity on protein farnesyltransferase.BDB J Enzyme Inhib Med Chem 25: 172-9 (2010) UFR des Sciences Pharmaceutiques et IngÚnierie de la SantÚ 2D 3D TSV
20222760 61 Quinazoline-urea, new protein kinase inhibitors in treatment of prostate cancer.BDB J Enzyme Inhib Med Chem 25: 158-71 (2010) UniversitÚ Lille Nord de France 2D 3D TSV
20222733 6 Synthesis and biological evaluation of 4-anilinoquinolines as potent inhibitors of epidermal growth factor receptor.EBI J Med Chem 53: 2892-901 (2010) Chemical Genomics Centre of the Max Planck Society 2D 3D TSV
20222714 6 Complexity in influenza virus targeted drug design: interaction with human sialidases.EBI J Med Chem 53: 2998-3002 (2010) PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan. 2D 3D TSV
20219372 114 Synthesis and SAR of derivatives based on 2-biarylethylimidazole as bombesin receptor subtype-3 (BRS-3) agonists for the treatment of obesity.EBI Bioorg Med Chem Lett 20: 2074-7 (2010) Merck Research Laboratories 2D 3D TSV
20219371 22 Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives.EBI Bioorg Med Chem Lett 20: 2095-8 (2010) Daiichi Sankyo Co., Ltd 2D 3D TSV
20219369 5 Toward the development of potent and selective bisubstrate inhibitors of protein arginine methyltransferases.EBI Bioorg Med Chem Lett 20: 2103-5 (2010) University Park 2D 3D TSV
20219367 96 Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.EBI Bioorg Med Chem Lett 20: 2383-8 (2010) Pfizer Global Research and Development 2D 3D TSV
20219271 10 Azetidine derivatives as novel gamma-aminobutyric acid uptake inhibitors: synthesis, biological evaluation, and structure-activity relationship.EBI Eur J Med Chem 45: 2453-66 (2010) Zentrum f£r Pharmaforschung 2D 3D TSV
20218625 27 "Carba"-analogues of fentanyl are opioid receptor agonists.EBI J Med Chem 53: 2875-81 (2010) Clinical Research Institute of Montreal 2D 3D TSV
20218624 50 Synthesis and in vitro biological evaluation of carbonyl group-containing inhibitors of vesicular acetylcholine transporter.EBI J Med Chem 53: 2825-35 (2010) University of Minnesota 2D 3D TSV
20218623 68 Emerging targets in osteoporosis disease modification.EBI J Med Chem 53: 4332-53 (2010) Amgen, Inc. 2D 3D TSV
20218622 59 3'-[4-Aryl-(1,2,3-triazol-1-yl)]-3'-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase.EBI J Med Chem 53: 2902-12 (2010) Ghent University 2D 3D TSV
20218621 131 Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).EBI J Med Chem 53: 2854-64 (2010) Bristol-Myers Squibb 2D 3D TSV
20218620 81 A virtual screening hit reveals new possibilities for developing group III metabotropic glutamate receptor agonists.EBI J Med Chem 53: 2797-813 (2010) Universite Paris Descartes 2D 3D TSV
20218619 44 Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.EBI J Med Chem 53: 2973-85 (2010) Amgen Inc. 2D 3D TSV
20211561 20 Inhibition studies of a beta-carbonic anhydrase from Brucella suis with a series of water soluble glycosyl sulfanilamides.EBI Bioorg Med Chem Lett 20: 2178-82 (2010) Universit£ degli Studi di Firenze 2D 3D TSV
20209559 7 Structural investigation of the binding of 5-substituted swainsonine analogues to Golgi alpha-mannosidase II.BDB Chembiochem 11: 673-80 (2010) University of Toronto 2D 3D TSV
20207541 18 Discovery of a spiroindane based compound as a potent, selective, orally bioavailable melanocortin subtype-4 receptor agonist.EBI Bioorg Med Chem Lett 20: 2106-10 (2010) Merck Research Laboratories 2D 3D TSV
20207539 15 Synthesis of cycloalkane-annelated 3-phenylsulfonyl-pyrazolo[1,5-a]pyrimidines and their evaluation as 5-HT6 receptor antagonists.EBI Bioorg Med Chem Lett 20: 2133-6 (2010) Chemical Diversity Research Institute 2D 3D TSV
20207537 3 Novel N-substituted benzimidazole CXCR4 antagonists as potential anti-HIV agents.EBI Bioorg Med Chem Lett 20: 2125-8 (2010) GlaxoSmithKline Research and Development 2D 3D TSV
20207151 44 Novel acyl coenzyme A (CoA): diacylglycerol acyltransferase-1 inhibitors: synthesis and biological activities of diacylethylenediamine derivatives.EBI Bioorg Med Chem 18: 2785-95 (2010) Takeda Pharmaceutical Company Ltd 2D 3D TSV
20207142 8 Oxime esters as selective, covalent inhibitors of the serine hydrolase retinoblastoma-binding protein 9 (RBBP9).EBI Bioorg Med Chem Lett 20: 2254-8 (2010) The Scripps Research Institute 2D 3D TSV
20207141 2 Discovery of novel (S)-alpha-phenyl-gamma-amino butanamide containing CCR5 antagonists via functionality inversion approach.EBI Bioorg Med Chem Lett 20: 2219-23 (2010) Institute of Materia Medica 2D 3D TSV
20207139 64 Structure-based design of novel human Pin1 inhibitors (II).EBI Bioorg Med Chem Lett 20: 2210-4 (2010) Pfizer Global Research and Development 2D 3D TSV
20207138 34 Design and synthesis of conformationally constrained N,N-disubstituted 1,4-diazepanes as potent orexin receptor antagonists.EBI Bioorg Med Chem Lett 20: 2311-5 (2010) Merck Research Laboratories 2D 3D TSV
20206532 13 Structure-activity relationship of novel DAPK inhibitors identified by structure-based virtual screening.EBI Bioorg Med Chem 18: 2728-34 (2010) PharmaDesign, Inc. 2D 3D TSV
20206513 35 Design and optimization of a substituted amino propanamide series of renin inhibitors for the treatment of hypertension.EBI Bioorg Med Chem Lett 20: 2204-9 (2010) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
20206015 22 Synthesis, molecular modeling and biological evaluation of novel tadalafil analogues as phosphodiesterase 5 and colon tumor cell growth inhibitors, new stereochemical perspective.EBI Eur J Med Chem 45: 1278-86 (2010) German University in Cairo 2D 3D TSV
20205394 44 Conformational refinement of hydroxamate-based histone deacetylase inhibitors and exploration of 3-piperidin-3-ylindole analogues of dacinostat (LAQ824).EBI J Med Chem 53: 2952-63 (2010) Novartis Institutes for Biomedical Research 2D 3D TSV
20202853 12 Synthesis of theophylline derivatives and study of their activity as antagonists at adenosine receptors.EBI Bioorg Med Chem 18: 2081-8 (2010) Universidad de M£laga 2D 3D TSV
20202843 40 Orally active and brain permeable proline amides as highly selective 5HT2c agonists for the treatment of obesity.EBI Bioorg Med Chem Lett 20: 2365-9 (2010) Pfizer Global Research and Development 2D 3D TSV
20202842 47 Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.EBI Bioorg Med Chem Lett 20: 2326-9 (2010) Wyeth Research 2D 3D TSV
20202841 47 Synthesis and SAR of N-(4-(4-alklylpiperazin-1-yl)phenyl)benzamides as muscarinic acetylcholine receptor subtype 1 (M1) anatgonists.EBI Bioorg Med Chem Lett 20: 2174-7 (2010) Vanderbilt University Medical Center 2D 3D TSV
20202839 13 Synthesis and biological evaluation of N-difluoromethyl-1,2-dihydropyrid-2-one acetic acid regioisomers: dual inhibitors of cyclooxygenases and 5-lipoxygenase.EBI Bioorg Med Chem Lett 20: 2168-73 (2010) University of Alberta 2D 3D TSV
20202838 62 Identification of pyridazino[4,5-b]indolizines as selective PDE4B inhibitors.EBI Bioorg Med Chem Lett 20: 2163-7 (2010) Pfizer Global Research and Development 2D 3D TSV
20202837 51 The identification a novel, selective, non-steroidal, functional glucocorticoid receptor antagonist.EBI Bioorg Med Chem Lett 20: 2340-3 (2010) Medicines Research Centre 2D 3D TSV
20202722 138 Carbonic anhydrase inhibitors: synthesis and inhibition of the human cytosolic isozymes I and II and transmembrane isozymes IX, XII (cancer-associated) and XIV with 4-substituted 3-pyridinesulfonamides.EBI Eur J Med Chem 45: 2396-404 (2010) Medical University of Gdansk 2D 3D TSV
20201556 174 Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases.EBI J Med Chem 53: 2913-26 (2010) Griffith University 2D 3D TSV
20196613 32 Design, synthesis, and biological evaluation of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one, a potent, orally active, brain penetrant inhibitor of phosphodiesterase 5 (PDE5).EBI J Med Chem 53: 2656-60 (2010) Pfizer Global Research and Development 2D 3D TSV
20192270 3 Structure-activity relationship of (N)-Methanocarba phosphonate analogues of 5'-AMP as cardioprotective agents acting through a cardiac P2X receptor.EBI J Med Chem 53: 2562-76 (2010) National Institutes of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
20192242 4 Gneyulins A and B, stilbene trimers, and noidesols A and B, dihydroflavonol-C-glucosides, from the bark of Gnetum gnemonoides.EBI J Nat Prod 73: 763-7 (2010) Hoshi University 2D 3D TSV
20192225 65 Synthesis and QSAR of quinazoline sulfonamides as highly potent human histamine H4 receptor inverse agonists.EBI J Med Chem 53: 2390-400 (2010) Griffin Discoveries BV 2D 3D TSV
20192224 2 Fragment-based deconstruction of Bcl-xL inhibitors.EBI J Med Chem 53: 2577-88 (2010) Universite de Lyon 2D 3D TSV
20189816 8 Design and synthesis of novel series of pyrrole based chemotypes and their evaluation as selective aldose reductase inhibitors. A case of bioisosterism between a carboxylic acid moiety and that of a tetrazole.EBI Bioorg Med Chem 18: 2107-14 (2010) Aristotle University of Thessaloniki 2D 3D TSV
20189815 20 Synthesis and in vitro biological evaluation of carbon-11-labeled quinoline derivatives as new candidate PET radioligands for cannabinoid CB2 receptor imaging.EBI Bioorg Med Chem 18: 2099-106 (2010) Indiana University School of Medicine 2D 3D TSV
20189807 32 Design of potent and selective GSK3beta inhibitors with acceptable safety profile and pharmacokinetics.EBI Bioorg Med Chem Lett 20: 2344-9 (2010) Sanofi-aventis 2D 3D TSV
20189693 9 Synthesis of some 5-phenylisoxazole-3-carboxylic acid derivatives as potent xanthine oxidase inhibitors.EBI Eur J Med Chem 45: 2663-70 (2010) Shenyang Pharmaceutical University 2D 3D TSV
20189404 28 Alstiphyllanines E-H, picraline and ajmaline-type alkaloids from Alstonia macrophylla inhibiting sodium glucose cotransporter.EBI Bioorg Med Chem 18: 2152-8 (2010) Hoshi University 2D 3D TSV
20189401 24 Structural-based design and synthesis of novel 9-deazaguanine derivatives having a phosphate mimic as multi-substrate analogue inhibitors for mammalian PNPs.EBI Bioorg Med Chem 18: 2275-84 (2010) Tokyo University of Pharmacy and Life Sciences 2D 3D TSV
20189400 16 Synthesis and kinetic analysis of some phosphonate analogs of cyclophostin as inhibitors of human acetylcholinesterase.EBI Bioorg Med Chem 18: 2265-74 (2010) University of Missouri St. Louis 2D 3D TSV
20189399 3 Melanogenesis inhibitors from the desert plant Anastatica hierochuntica in B16 melanoma cells.EBI Bioorg Med Chem 18: 2337-45 (2010) Kyoto Pharmaceutical University 2D 3D TSV
20189387 46 Identification of amide bioisosteres of triazole oxytocin antagonists.EBI Bioorg Med Chem Lett 20: 2224-8 (2010) Pfizer Global Research and Development 2D 3D TSV
20189386 4 Potent and selective inhibition of human cytochrome P450 3A4 by seco-pancratistatin structural analogs.EBI Bioorg Med Chem Lett 20: 2335-9 (2010) McMaster University 2D 3D TSV
20189385 18 Synthesis and evaluation of tricyclic derivatives containing a non-aromatic amide as inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1).EBI Bioorg Med Chem Lett 20: 2250-3 (2010) Jeil Pharmaceutical Co., Ltd. 2D 3D TSV
20189383 70 Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.EBI Bioorg Med Chem Lett 20: 2229-33 (2010) Genentech 2D 3D TSV
20189382 40 Inhibition of eEF2-K by thieno[2,3-b]pyridine analogues.EBI Bioorg Med Chem Lett 20: 2283-6 (2010) Myriad Pharmaceuticals 2D 3D TSV
20189109 42 Affinity reagents that target a specific inactive form of protein kinases.BDB Chem Biol 17: 195-206 (2010) University of Washington 2D 3D TSV
20189103 36 Discovery of dual inhibitors of the immune cell PI3Ks p110delta and p110gamma: a prototype for new anti-inflammatory drugs.BDB Chem Biol 17: 123-34 (2010) University of California, San Francisco 2D 3D TSV
20188579 42 Design, synthesis and evaluation of (E)-alpha-benzylthio chalcones as novel inhibitors of BCR-ABL kinase.EBI Bioorg Med Chem 18: 2317-26 (2010) Temple University School of Medicine 2D 3D TSV
20188577 23 In silico search for multi-target anti-inflammatories in Chinese herbs and formulas.EBI Bioorg Med Chem 18: 2204-18 (2010) King's College London 2D 3D TSV
20188574 141 2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists.EBI Bioorg Med Chem 18: 2195-203 (2010) University of Bonn 2D 3D TSV
20188554 46 Stereochemistry-activity relationship of orally active tetralin S1P agonist prodrugs.EBI Bioorg Med Chem Lett 20: 2264-9 (2010) BiogenIdec Inc. 2D 3D TSV
20188553 66 Tetrahydroindolizinone NK1 antagonists.EBI Bioorg Med Chem Lett 20: 2354-8 (2010) Merck Research Laboratories 2D 3D TSV
20188552 75 Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).EBI Bioorg Med Chem Lett 20: 2321-5 (2010) Wyeth Research 2D 3D TSV
20188551 56 4-Substituted-7-azaindoles bearing a ureidobenzofuranone moiety as potent and selective, ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).