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15999997 85 Design and synthesis of the first generation of novel potent, selective, and in vivo active (benzothiazol-2-yl)acetonitrile inhibitors of the c-Jun N-terminal kinase.EBI J Med Chem 48: 4596-607 (2005) Serono Pharmaceutical Research Institute 2D 3D TSV
15999996 3 Identification of novel extracellular signal-regulated kinase docking domain inhibitors.EBI J Med Chem 48: 4586-95 (2005) University of Maryland 2D 3D TSV
15999995 12 Adamantyl cannabinoids: a novel class of cannabinergic ligands.EBI J Med Chem 48: 4576-85 (2005) Northeastern University 2D 3D TSV
15999993 42 Potent inhibitors of subgenomic hepatitis C virus RNA replication through optimization of indole-N-acetamide allosteric inhibitors of the viral NS5B polymerase.EBI J Med Chem 48: 4547-57 (2005) IRBM (Merck Research Laboratories 2D 3D TSV
15999992 25 Synthesis and identification of [1,3,5]triazine-pyridine biheteroaryl as a novel series of potent cyclin-dependent kinase inhibitors.EBI J Med Chem 48: 4535-46 (2005) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
15999991 22 Synthesis and biological evaluation of geminal disulfones as HIV-1 integrase inhibitors.EBI J Med Chem 48: 4526-34 (2005) University of California 2D 3D TSV
15999990 30 Probing the subpockets of factor Xa reveals two binding modes for inhibitors based on a 2-carboxyindole scaffold: a study combining structure-activity relationship and X-ray crystallography.BDB J Med Chem 48: 4511-25 (2005) Aventis Pharma 2D 3D TSV
15999989 7 Design and synthesis of new nonsteroidal glucocorticoid modulators through application of an"agreement docking" method.EBI J Med Chem 48: 4507-10 (2005) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
15999145 62 Evidence for the preferential involvement of 5-HT2A serotonin receptors in stress- and drug-induced dopamine release in the rat medial prefrontal cortex.BDB Neuropsychopharmacology 31: 265-77 (2006) Case Western Reserve University 2D 3D TSV
15996097 16 Biochemical and structural characterization of a novel class of inhibitors of the type 1 insulin-like growth factor and insulin receptor kinases.BDB Biochemistry 44: 9430-40 (2005) Merck Research Laboratories 2D 3D TSV
15994085 21 Inhibition of the severe acute respiratory syndrome 3CL protease by peptidomimetic alpha,beta-unsaturated esters.BDB Bioorg Med Chem 13: 5240-52 (2005) National Taiwan University 2D 3D TSV
15993600 54 Design, synthesis, and evaluation of 2-phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors.EBI Bioorg Med Chem Lett 15: 3834-7 (2005) Zhejiang University 2D 3D TSV
15993598 55 4-Fluorosulfonylpiperidines: selective 5-HT2A ligands for the treatment of insomnia.EBI Bioorg Med Chem Lett 15: 3665-9 (2005) Merck Sharp and Dohme 2D 3D TSV
15993596 23 Bradykinin B1 antagonists: SAR studies in the 2,3-diaminopyridine series.EBI Bioorg Med Chem Lett 15: 3925-9 (2005) Merck 2D 3D TSV
15993594 4 In vitro antiproliferative activity against human colon cancer cell lines of representative 4-thiazolidinones. Part I.EBI Bioorg Med Chem Lett 15: 3930-3 (2005) Università di Messina 2D 3D TSV
15993593 36 A 3D-QSAR model for CYP2D6 inhibition in the aryloxypropanolamine series.EBI Bioorg Med Chem Lett 15: 3816-20 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15993589 22 Synthesis and in vitro pharmacological studies of new C(2) modified salvinorin A analogues.EBI Bioorg Med Chem Lett 15: 3744-7 (2005) Harvard Medical School 2D 3D TSV
15993587 11 Ketoheterocycle-based inhibitors of cathepsin K: a novel entry into the synthesis of peptidic ketoheterocycles.EBI Bioorg Med Chem Lett 15: 3891-5 (2005) GlaxoSmithKline 2D 3D TSV
15993585 24 Synthesis of benzoyl phenyl benzoates as effective inhibitors for phospholipase A2 and hyaluronidase enzymes.EBI Bioorg Med Chem Lett 15: 4100-4 (2005) University of Mysore 2D 3D TSV
15993582 19 Hydrophobicity in the design of P2/P2' tetrahydropyrimidinone HIV protease inhibitors.EBI Bioorg Med Chem Lett 15: 3767-70 (2005) Clarkson University 2D 3D TSV
15993070 4 Chemical modification of the naphthoyl 3-position of JWH-015: in search of a fluorescent probe to the cannabinoid CB2 receptor.EBI Bioorg Med Chem Lett 15: 3758-62 (2005) University of Nottingham 2D 3D TSV
15993068 101 2-Aminoquinazoline inhibitors of cyclin-dependent kinases.BDB Bioorg Med Chem Lett 15: 3881-5 (2005) NAEJA Pharmaceutical Inc. 2D 3D TSV
15993065 16 Estrogen receptor ligands. Part 13: Dihydrobenzoxathiin SERAMs with an optimized antagonist side chain.EBI Bioorg Med Chem Lett 15: 3912-6 (2005) Merck Research Laboratories 2D 3D TSV
15993063 50 Analysis of structure-activity relationships for the 'B-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]-thiourea analogues as TRPV1 antagonists.EBI Bioorg Med Chem Lett 15: 4143-50 (2005) Seoul National University 2D 3D TSV
15993060 10 Discovery and in vitro evaluation of potent kinase inhibitors: Pyrido[1',2':1,5]pyrazolo[3,4-d]pyrimidines.EBI Bioorg Med Chem Lett 15: 3778-81 (2005) GlaxoSmithKline 2D 3D TSV
15993059 3 L-arginine analogs as alternate substrates for nitric oxide synthase.EBI Bioorg Med Chem Lett 15: 3934-41 (2005) University of California 2D 3D TSV
15993057 77 Identification of potent type I MetAP inhibitors by simple bioisosteric replacement. Part 1: Synthesis and preliminary SAR studies of thiazole-4-carboxylic acid thiazol-2-ylamide derivatives.EBI Bioorg Med Chem Lett 15: 3732-6 (2005) Graduate School of the Chinese Academy of Sciences 2D 3D TSV
15993055 61 Comparison of different heterocyclic scaffolds as substrate analog PDE5 inhibitors.EBI Bioorg Med Chem Lett 15: 3900-7 (2005) BAYER HealthCare AG 2D 3D TSV
15990306 4 BCUT descriptors to predicting affinity toward A3 adenosine receptors.EBI Bioorg Med Chem Lett 15: 3491-5 (2005) Experimental Sugar Cane Station"Villa Clara-Cienfuegos" 2D 3D TSV
15990304 4 The molecular basis for coxib inhibition of p38alpha MAP kinase.EBI Bioorg Med Chem Lett 15: 3506-9 (2005) Universidade Federal do Rio de Janeiro (UFRJ) 2D 3D TSV
15990303 16 Interaction of chiral MS-245 analogs at h5-HT6 receptors.EBI Bioorg Med Chem Lett 15: 3510-3 (2005) Virginia Commonwealth University 2D 3D TSV
15990302 20 Discovery of a novel and potent series of dianilinopyrimidineurea and urea isostere inhibitors of VEGFR2 tyrosine kinase.BDB Bioorg Med Chem Lett 15: 3519-23 (2005) GlaxoSmithKline 2D 3D TSV
15990298 43 Synthesis, structure-activity relationships, and anxiolytic activity of 7-aryl-6,7-dihydroimidazoimidazole corticotropin-releasing factor 1 receptor antagonists.EBI Bioorg Med Chem Lett 15: 3870-3 (2005) Pharmaceutical Research Institute 2D 3D TSV
15990297 3 Synthesis of an N-acyl sulfamate analog of luciferyl-AMP: a stable and potent inhibitor of firefly luciferase.EBI Bioorg Med Chem Lett 15: 3860-4 (2005) Connecticut College 2D 3D TSV
15985434 18 Crystal structure of pyridoxal kinase in complex with roscovitine and derivatives.BDB J Biol Chem 280: 31220-9 (2005) Chinese Academy of Sciences 2D 3D TSV
15984054 21 Structure-activity relationships of novel endomorphin-2 analogues with N-O turns induced by alpha-aminoxy acids.EBI Bioorg Med Chem Lett 15: 2986-2989 (2005) TBA 2D 3D TSV
15983377 35 Efficient synthetic inhibitors of anthrax lethal factor.BDB Proc Natl Acad Sci U S A 102: 9499-504 (2005) Burnham Institute for Medical Research 2D 3D TSV
15982881 44 Synthesis and structure-activity relationship of imidazo[1,2-a]benzimidazoles as corticotropin-releasing factor 1 receptor antagonists.EBI Bioorg Med Chem Lett 15: 4029-32 (2005) Pharmaceutical Research Institute 2D 3D TSV
15982880 86 P2-P3 conformationally constrained ketoamide-based inhibitors of cathepsin K.EBI Bioorg Med Chem Lett 15: 3540-6 (2005) GlaxoSmithKline 2D 3D TSV
15982879 61 3-Thio-1,2,4-triazoles, novel somatostatin sst2/sst5 agonists.EBI Bioorg Med Chem Lett 15: 3555-9 (2005) Institut Henri Beaufour 2D 3D TSV
15982878 45 Synthesis of 4(5)-phenylimidazole-based analogues of sphingosine-1-phosphate and FTY720: discovery of potent S1P1 receptor agonists.EBI Bioorg Med Chem Lett 15: 3568-72 (2005) University of Virginia 2D 3D TSV
15982877 8 Synthesis and SAR of 2-carboxylic acid indoles as inhibitors of plasminogen activator inhibitor-1.EBI Bioorg Med Chem Lett 15: 3514-8 (2005) Wyeth Research 2D 3D TSV
15982875 46 Discovery and activity of (1R,4S,6R)-N-[(1R)-2-[4-cyclohexyl-4-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperidinyl]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-2-methyl-2-azabicyclo[2.2.2]octane-6-carboxamide (3, RY764), a potent and selective melanocortin subtype-4 receptor agonist.EBI Bioorg Med Chem Lett 15: 3501-5 (2005) Merck Research Laboratories 2D 3D TSV
15982872 24 Investigation of glycine alpha-ketoamide HCV NS3 protease inhibitors: effect of carboxylic acid isosteres.EBI Bioorg Med Chem Lett 15: 3487-90 (2005) Pharmaceutical Research Institute 2D 3D TSV
15978811 29 Discovery and SAR of biaryl piperidine MCH1 receptor antagonists through solid-phase encoded combinatorial synthesis.EBI Bioorg Med Chem Lett 15: 3696-700 (2005) Pharmacopeia Drug Discovery, Inc. 2D 3D TSV
15978807 24 SAR studies of 6-aryl-1,3-dihydrobenzimidazol-2-ones as progesterone receptor antagonists.EBI Bioorg Med Chem Lett 15: 3600-3 (2005) Wyeth Research 2D 3D TSV
15978806 40 2-(2-Furanyl)-7-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-5-amine analogs: highly potent, orally active, adenosine A2A antagonists. Part 1.EBI Bioorg Med Chem Lett 15: 3670-4 (2005) Schering-Plough Research Institute 2D 3D TSV
15975789 28 Dibenzodioxocinones--a new class of CETP inhibitors.EBI Bioorg Med Chem Lett 15: 3611-4 (2005) Bayer Healthcare Pharma Research 2D 3D TSV
15975788 23 Synthesis and antiviral activities of novel N-alkoxy-arylsulfonamide-based HIV protease inhibitors.BDB Bioorg Med Chem Lett 15: 3560-4 (2005) GlaxoSmithKline 2D 3D TSV
15975787 39 Identification of 4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles as 5-HT2C receptor agonists.EBI Bioorg Med Chem Lett 15: 3604-8 (2005) Vernalis Research Ltd. 2D 3D TSV
15975507 13 Features of selective kinase inhibitors.EBI Chem Biol 12: 621-37 (2005) University of California-San Francisco 2D 3D TSV
15974606 5 Indole alkaloids and other constituents of Rauwolfia serpentina.EBI J Nat Prod 68: 848-52 (2005) Kobe Pharmaceutical University 2D 3D TSV
15974598 9 Discovery of potent anilide inhibitors against the severe acute respiratory syndrome 3CL protease.BDB J Med Chem 48: 4469-73 (2005) National Taiwan University 2D 3D TSV
15974597 96 Design and synthesis of alpha-aryloxyphenylacetic acid derivatives: a novel class of PPARalpha/gamma dual agonists with potent antihyperglycemic and lipid modulating activity.EBI J Med Chem 48: 4457-68 (2005) Merck Research Laboratories 2D 3D TSV
15974596 36 Cholinesterase inhibitors: xanthostigmine derivatives blocking the acetylcholinesterase-induced beta-amyloid aggregation.BDB J Med Chem 48: 4444-56 (2005) University of Bologna 2D 3D TSV
15974594 92 Design, synthesis, and antifolate activity of new analogues of piritrexim and other diaminopyrimidine dihydrofolate reductase inhibitors with omega-carboxyalkoxy or omega-carboxy-1-alkynyl substitution in the side chain.BDB J Med Chem 48: 4420-31 (2005) Harvard Medical School 2D 3D TSV
15974593 122 Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1.EBI J Med Chem 48: 4410-9 (2005) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
15974592 68 Design and synthesis of potent inhibitors of plasmepsin I and II: X-ray crystal structure of inhibitor in complex with plasmepsin II.EBI J Med Chem 48: 4400-9 (2005) Linköping University 2D 3D TSV
15974590 5 Novel 1-[2-(diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles as HIV-1 non-nucleoside reverse transcriptase inhibitors. A structure-activity relationship investigation.EBI J Med Chem 48: 4378-88 (2005) Universit£ di Roma La Sapienza 2D 3D TSV
15974587 1 Quinic acid derivatives as sialyl Lewis(x)-mimicking selectin inhibitors: design, synthesis, and crystal structure in complex with E-selectin.EBI J Med Chem 48: 4346-57 (2005) Wyeth 2D 3D TSV
15974586 29 Structure-based design of novel Chk1 inhibitors: insights into hydrogen bonding and protein-ligand affinity.BDB J Med Chem 48: 4332-45 (2005) Vernalis (R&D) Ltd 2D 3D TSV
15974579 36 Synthesis, in vitro characterization, and radiolabeling of N,N-dimethyl-2-(2'-amino-4'-substituted-phenylthio)benzylamines: potential candidates as selective serotonin transporter radioligands.EBI J Med Chem 48: 4254-65 (2005) Emory University 2D 3D TSV
15974577 28 Functionalized pyrrolidines inhibit alpha-mannosidase activity and growth of human glioblastoma and melanoma cells.EBI J Med Chem 48: 4237-46 (2005) Institute of Chemical Sciences and Engineering 2D 3D TSV
15974575 127 Peptoid-peptide hybrids as potent novel melanocortin receptor ligands.EBI J Med Chem 48: 4224-30 (2005) Utrecht University 2D 3D TSV
15974574 56 Design, synthesis, and biological activities of pyrrolylethanoneamine derivatives, a novel class of monoamine oxidases inhibitors.EBI J Med Chem 48: 4220-3 (2005) Università di Roma La Sapienza 2D 3D TSV
15974573 46 A three-dimensional pharmacophore model for 5-hydroxytryptamine6 (5-HT6) receptor antagonists.EBI J Med Chem 48: 4216-9 (2005) Universidad Complutense 2D 3D TSV
15974572 14 Novel, potent small-molecule inhibitors of the molecular chaperone Hsp90 discovered through structure-based design.BDB J Med Chem 48: 4212-5 (2005) Vernalis (R&D) Ltd 2D 3D TSV
15974571 62 1-Acyl-1H-[1,2,4]triazole-3,5-diamine analogues as novel and potent anticancer cyclin-dependent kinase inhibitors: synthesis and evaluation of biological activities.BDB J Med Chem 48: 4208-11 (2005) Johnson & Johnson Pharmaceutical 2D 3D TSV
15974570 30 Ligand binding analysis for human alpha5beta1 integrin: strategies for designing new alpha5beta1 integrin antagonists.EBI J Med Chem 48: 4204-7 (2005) Università di Napoli Federico II 2D 3D TSV
15974569 21 Two prodrugs of potent and selective GluR5 kainate receptor antagonists actives in three animal models of pain.EBI J Med Chem 48: 4200-3 (2005) Centro de Investigación Lilly 2D 3D TSV
15968818 10 Benzofuran- and furan-2-yl-(phenyl)-3-pyridylmethanols: synthesis and inhibition of P450 aromatase.BDB J Enzyme Inhib Med Chem 20: 135-41 (2005) Cardiff University 2D 3D TSV
15963723 15 3-(1,2,3-Triazol-1-yl)-1-thio-galactosides as small, efficient, and hydrolytically stable inhibitors of galectin-3.EBI Bioorg Med Chem Lett 15: 3344-6 (2005) Lund University 2D 3D TSV
15961311 49 Rhodanine derivatives as inhibitors of JSP-1.EBI Bioorg Med Chem Lett 15: 3374-9 (2005) Ceptyr Inc. 2D 3D TSV
15958589 2 Seliciclib (CYC202, R-Roscovitine) induces cell death in multiple myeloma cells by inhibition of RNA polymerase II-dependent transcription and down-regulation of Mcl-1.EBI Cancer Res 65: 5399-407 (2005) Cyclacel Ltd. 2D 3D TSV
15955699 33 (1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: further optimisation as highly potent and selective MSK-1-inhibitors.EBI Bioorg Med Chem Lett 15: 3407-11 (2005) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
15955698 18 The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.EBI Bioorg Med Chem Lett 15: 3338-43 (2005) The Institute of Cancer Research 2D 3D TSV
15953730 13 RO4383596, an orally active KDR, FGFR, and PDGFR inhibitor: synthesis and biological evaluation.EBI Bioorg Med Chem 13: 4835-41 (2005) Hoffmann-La Roche Inc. 2D 3D TSV
15953726 35 Discovery and SAR of 4-amino-2-biarylbutylurea MCH 1 receptor antagonists through solid-phase parallel synthesis.EBI Bioorg Med Chem Lett 15: 3691-5 (2005) Pharmacopeia Drug Discovery, Inc. 2D 3D TSV
15953724 38 Inhibitors of the inducible microsomal prostaglandin E2 synthase (mPGES-1) derived from MK-886.EBI Bioorg Med Chem Lett 15: 3352-5 (2005) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
15953722 56 Discovery of 3-OH-3-methylpipecolic hydroxamates: potent orally active inhibitors of aggrecanase and MMP-13.EBI Bioorg Med Chem Lett 15: 3385-8 (2005) Pfizer Global Research and Development 2D 3D TSV
15952771 5 Identification of the molecular mechanisms by which the diterpenoid salvinorin A binds to kappa-opioid receptors.BDB Biochemistry 44: 8643-51 (2005) Case Western Reserve University 2D 3D TSV
15951403 29 Differential effects of the 5-hydroxytryptamine (5-HT)1A receptor inverse agonists Rec 27/0224 and Rec 27/0074 on electrophysiological responses to 5-HT1A receptor activation in rat dorsal raphe nucleus and hippocampus in vitro.BDB J Pharmacol Exp Ther 315: 109-17 (2005) Universit&aagrove; di Firenze 2D 3D TSV
15951399 5 Lecozotan (SRA-333): a selective serotonin 1A receptor antagonist that enhances the stimulated release of glutamate and acetylcholine in the hippocampus and possesses cognitive-enhancing properties.BDB J Pharmacol Exp Ther 314: 1274-89 (2005) Wyeth 2D 3D TSV
15951176 8 Deoxyribosyl analogues of methionyl and isoleucyl sulfamate adenylates as inhibitors of methionyl-tRNA and isoleucyl-tRNA synthetases.EBI Bioorg Med Chem Lett 15: 3389-93 (2005) Seoul National University 2D 3D TSV
15951175 28 1-Amino-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid as a Tic mimetic: application in the synthesis of potent human melanocortin-4 receptor selective agonists.EBI Bioorg Med Chem Lett 15: 3430-3 (2005) Merck Research Laboratories 2D 3D TSV
15951171 39 Structure-activity relationships of 1,3,5-triazine-2,4,6-triones as human gonadotropin-releasing hormone receptor antagonists.EBI Bioorg Med Chem Lett 15: 3685-90 (2005) Neurocrine Biosciences, Inc. 2D 3D TSV
15951170 12 Isomeric thiazole derivatives as ligands for the neuropeptide Y5 receptor.EBI Bioorg Med Chem Lett 15: 3446-9 (2005) F. Hoffmann-La Roche Ltd 2D 3D TSV
15950471 20 Structure-driven HtL: design and synthesis of novel aminoindazole inhibitors of c-Jun N-terminal kinase activity.EBI Bioorg Med Chem Lett 15: 3459-62 (2005) AstraZeneca 2D 3D TSV
15950470 69 Structure-activity relationship of a series of cyclohexylpiperidines bearing an amide side chain as antagonists of the human melanocortin-4 receptor.EBI Bioorg Med Chem Lett 15: 3434-8 (2005) Neurocrine Biosciences, Inc. 2D 3D TSV
15950467 34 Synthesis and structure-activity relationships of biarylcarboxamide bis-aminopyrrolidine urea derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1).EBI Bioorg Med Chem Lett 15: 3439-45 (2005) Neurocrine Biosciences Inc. 2D 3D TSV
15950465 31 (1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: a novel class of potent MSK-1-inhibitors.EBI Bioorg Med Chem Lett 15: 3402-6 (2005) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
15950464 146 (2R)-2-methylchromane-2-carboxylic acids: discovery of selective PPARalpha agonists as hypolipidemic agents.EBI Bioorg Med Chem Lett 15: 3347-51 (2005) Merck Research Laboratories 2D 3D TSV
15950463 47 Identification of aminopiperidine benzamides as MCHr1 antagonists.EBI Bioorg Med Chem Lett 15: 3412-6 (2005) Abbott Laboratories 2D 3D TSV
15947036 80 Evaluation of histamine H1-, H2-, and H3-receptor ligands at the human histamine H4 receptor: identification of 4-methylhistamine as the first potent and selective H4 receptor agonist.BDB J Pharmacol Exp Ther 314: 1310-21 (2005) Vrije Universiteit Amsterdam 2D 3D TSV
15946842 11 Carboxylate bioisosteres of gabapentin.EBI Bioorg Med Chem Lett 16: 2333-6 (2006) Pfizer Global Research and Development 2D 3D TSV
15943486 8 Rapid computational identification of the targets of protein kinase inhibitors.EBI J Med Chem 48: 4138-52 (2005) University of Iowa 2D 3D TSV
15943483 21 Potent, orally active corticotropin-releasing factor receptor-1 antagonists containing a tricyclic pyrrolopyridine or pyrazolopyridine core.EBI J Med Chem 48: 4100-10 (2005) Neurocrine Biosciences 2D 3D TSV
15943482 19 Antineoplastic agents. 445. Synthesis and evaluation of structural modifications of (Z)- and (E)-combretastatin A-41.EBI J Med Chem 48: 4087-99 (2005) Arizona State University 2D 3D TSV
15943479 18 Novel nonsteroidal antiinflammatory drugs possessing a nitric oxide donor diazen-1-ium-1,2-diolate moiety: design, synthesis, biological evaluation, and nitric oxide release studies.EBI J Med Chem 48: 4061-7 (2005) University of Alberta 2D 3D TSV
15943475 14 Replacement of Phe6, Phe7, and Phe11 of D-Trp8-somatostatin-14 with L-pyrazinylalanine. Predicted and observed effects on binding affinities at hSST2 and hSST4. An unexpected effect of the chirality of Trp8 on NMR spectra in methanol.EBI J Med Chem 48: 4025-30 (2005) University of Pennsylvania 2D 3D TSV
15943474 10 New selective AT2 receptor ligands encompassing a gamma-turn mimetic replacing the amino acid residues 4-5 of angiotensin II act as agonists.EBI J Med Chem 48: 4009-24 (2005) Uppsala University 2D 3D TSV
15943473 136 Design, synthesis, and evaluation of orally active 4-(2,4-difluoro-5-(methoxycarbamoyl)phenylamino)pyrrolo[2,1-f][1,2,4]triazines as dual vascular endothelial growth factor receptor-2 and fibroblast growth factor receptor-1 inhibitors.EBI J Med Chem 48: 3991-4008 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15943472 33 Structure-based characterization and optimization of novel hydrophobic binding interactions in a series of pyrrolidine influenza neuraminidase inhibitors.BDB J Med Chem 48: 3980-90 (2005) Abbott Laboratories 2D 3D TSV
15943471 140 ERbeta ligands. 3. Exploiting two binding orientations of the 2-phenylnaphthalene scaffold to achieve ERbeta selectivity.EBI J Med Chem 48: 3953-79 (2005) Wyeth Research 2D 3D TSV
15943469 14 Examination of phosphoryl-mimicking functionalities within a macrocyclic Grb2 SH2 domain-binding platform.EBI J Med Chem 48: 3945-8 (2005) National Cancer Institute 2D 3D TSV
15936193 4 Water soluble prodrug of a COX-2 selective inhibitor suitable for intravenous administration in models of cerebral ischemia.EBI Bioorg Med Chem Lett 15: 3197-200 (2005) Merck Research Laboratories 2D 3D TSV
15936191 16 Sialyl Lewis(x) analogs based on a quinic acid scaffold as the fucose mimic.EBI Bioorg Med Chem Lett 15: 3224-8 (2005) INSERM 2D 3D TSV
15936190 2 Aminoalkoxybenzyl pyrrolidines as novel human urotensin-II receptor antagonists.EBI Bioorg Med Chem Lett 15: 3229-32 (2005) GlaxoSmithKline 2D 3D TSV
15935664 1 A three-residue, continuous binding epitope peptidomimetic of ShK toxin as a Kv1.3 inhibitor.EBI Bioorg Med Chem Lett 15: 3193-6 (2005) Institute of Medical Research 2D 3D TSV
15935660 3 Discovery of new diphenyloxazole derivatives containing a pyrrolidine ring: orally active prostacyclin mimetics. Part 2.EBI Bioorg Med Chem Lett 15: 3279-83 (2005) Fujisawa Pharmaceutical Co., Ltd. 2D 3D TSV
15935659 17 Metabolism investigation leading to novel drug design: orally active prostacyclin mimetics. Part 4.EBI Bioorg Med Chem Lett 15: 3284-7 (2005) Fujisawa Pharmaceutical Co., Ltd. 2D 3D TSV
15927468 3 Discovery and synthesis of a novel and selective drug-like P2X(1) antagonist.EBI Bioorg Med Chem Lett 15: 3292-5 (2005) Roche Palo Alto 2D 3D TSV
15927467 7 Ethers of 3-hydroxyphenylacetic acid as selective gamma-hydroxybutyric acid receptor ligands.EBI Bioorg Med Chem Lett 15: 3201-2 (2005) University of Maryland 2D 3D TSV
15927466 52 Glutamic acid analogues as potent dipeptidyl peptidase IV and 8 inhibitors.EBI Bioorg Med Chem Lett 15: 3271-5 (2005) National Health Research Institutes 2D 3D TSV
15925511 15 Synthesis of selective SRPK-1 inhibitors: novel tricyclic quinoxaline derivatives.EBI Bioorg Med Chem Lett 15: 3241-6 (2005) Semmelweis University 2D 3D TSV
15923115 6 Design, synthesis, and biological evaluation of novel 4-hydroxypyrone derivatives as HIV-1 protease inhibitors.EBI Bioorg Med Chem Lett 15: 3257-62 (2005) Peking University 2D 3D TSV
15922596 7 Novel phomactin analogues as PAF receptor ligands.EBI Bioorg Med Chem Lett 15: 3263-6 (2005) The University of Nottingham 2D 3D TSV
15922595 41 Synthesis and SAR of 2,3-diarylpyrrole inhibitors of parasite cGMP-dependent protein kinase as novel anticoccidial agents.EBI Bioorg Med Chem Lett 15: 3296-301 (2005) Merck Research Laboratories 2D 3D TSV
15921437 2 Petrosamine B, an inhibitor of the Helicobacter pylori enzyme aspartyl semialdehyde dehydrogenase from the Australian sponge Oceanapia sp.EBI J Nat Prod 68: 804-6 (2005) Griffith University 2D 3D TSV
15921407 7 Isoneocryptolepine, a synthetic indoloquinoline alkaloid, as an antiplasmodial lead compound.EBI J Nat Prod 68: 674-7 (2005) University of Antwerp 2D 3D TSV
15919995 4 Structural bioinformatics-based design of selective, irreversible kinase inhibitors.EBI Science 308: 1318-21 (2005) University of California 2D 3D TSV
15916445 8 3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)(2-pyridyl) phenyl ketone as a potent and orally active cyclooxygenase-2 selective inhibitor: synthesis and biological evaluation.EBI J Med Chem 48: 3930-4 (2005) NitroMed, Inc. 2D 3D TSV
15916444 58 Inhibition of herpes simplex virus thymidine kinases by 2-phenylamino-6-oxopurines and related compounds: structure-activity relationships and antiherpetic activity in vivo.BDB J Med Chem 48: 3919-29 (2005) GLSynthesis Inc. 2D 3D TSV
15916442 52 Synthesis and Src kinase inhibitory activity of 2-phenyl- and 2-thienyl-7-phenylaminothieno[3,2-b]pyridine-6-carbonitriles.BDB J Med Chem 48: 3891-902 (2005) Wyeth Research 2D 3D TSV
15916438 17 Structure-based design, parallel synthesis, structure-activity relationship, and molecular modeling studies of thiocarbamates, new potent non-nucleoside HIV-1 reverse transcriptase inhibitor isosteres of phenethylthiazolylthiourea derivatives.EBI J Med Chem 48: 3858-73 (2005) Universit£ di Genova 2D 3D TSV
15916437 90 Synthesis and monoamine transporter binding properties of 3alpha-(substituted phenyl)nortropane-2beta-carboxylic acid methyl esters. Norepinephrine transporter selective compounds.EBI J Med Chem 48: 3852-7 (2005) Research Triangle Institute 2D 3D TSV
15916436 2 Design, synthesis and antiviral activity of novel 4,5-disubstituted 7-(beta-D-ribofuranosyl)pyrrolo[2,3-d][1,2,3]triazines and the novel 3-amino-5-methyl-1-(beta-D-ribofuranosyl)- and 3-amino-5-methyl-1-(2-deoxy-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,7,8-hexaazaacenaphthylene as analogues of triEBI J Med Chem 48: 3840-51 (2005) University of Michigan 2D 3D TSV
15916432 52 Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.EBI J Med Chem 48: 3808-15 (2005) University of Kuopio 2D 3D TSV
15916429 11 Synthesis, modeling, and in vitro activity of (3'S)-epi-K-252a analogues. Elucidating the stereochemical requirements of the 3'-sugar alcohol on trkA tyrosine kinase activity.EBI J Med Chem 48: 3776-83 (2005) Cephalon, Inc. 2D 3D TSV
15916427 55 Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase.EBI J Med Chem 48: 3756-67 (2005) University of Perugia 2D 3D TSV
15916423 28 Decoys for docking.EBI J Med Chem 48: 3714-28 (2005) University of California San Francisco 2D 3D TSV
15916422 42 Protein farnesyltransferase inhibitors exhibit potent antimalarial activity.BDB J Med Chem 48: 3704-13 (2005) University of Washington at Seattle 2D 3D TSV
15916420 68 Fancy bioisosteres: metallocene-derived G-protein-coupled receptor ligands with subnanomolar binding affinity and novel selectivity profiles.EBI J Med Chem 48: 3696-9 (2005) Friedrich Alexander University 2D 3D TSV
15916416 18 Synthesis and structure-activity relationship of 4-substituted 2-(2-acetyloxyethyl)-8-(morpholine-4-sulfonyl)pyrrolo[3,4-c]quinoline-1,3-diones as potent caspase-3 inhibitors.BDB J Med Chem 48: 3680-3 (2005) Chemical Diversity Research Institute 2D 3D TSV
15916415 150 Dopamine D3 receptor partial agonists and antagonists as potential drug abuse therapeutic agents.EBI J Med Chem 48: 3663-79 (2005) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
15914004 34 Discovery of diphenylcarbamate derivatives as highly potent and selective IP receptor agonists: orally active prostacyclin mimetics. Part 3.EBI Bioorg Med Chem Lett 15: 3091-5 (2005) Fujisawa Pharmaceutical Co., Ltd. 2D 3D TSV
15914001 16 New piperidinyl- and 1,2,3,6-tetrahydropyridinyl-pyrimidine derivatives as selective 5-HT1A receptor agonists with highly potent anti-ischemic effects.EBI Bioorg Med Chem Lett 15: 2990-3 (2005) Daiichi Suntory Biomedical Research Co., Ltd 2D 3D TSV
15914000 32 4-Substituted (benzo[b]thiophene-2-carbonyl)guanidines as novel Na+/H+ exchanger isoform-1 (NHE-1) inhibitors.EBI Bioorg Med Chem Lett 15: 2998-3001 (2005) Korea Research Institute of Chemical Technology 2D 3D TSV
15913999 8 Structure-based design and synthesis of pyrazinones containing novel P1 'side pocket' moieties as inhibitors of TF/VIIa.EBI Bioorg Med Chem Lett 15: 3006-11 (2005) Pfizer Corp. 2D 3D TSV
15911319 10 Synthesis and characterization of azole isoflavone inhibitors of aromatase.BDB Bioorg Med Chem 13: 4063-70 (2005) Ohio State University 2D 3D TSV
15911283 62 Novel ketal ligands for the glucocorticoid receptor: in vitro and in vivo activity.EBI Bioorg Med Chem Lett 15: 2926-31 (2005) Merck Research Laboratories 2D 3D TSV
15911281 30 Benzimidazolones and indoles as non-thiol farnesyltransferase inhibitors based on tipifarnib scaffold: synthesis and activity.BDB Bioorg Med Chem Lett 15: 2918-22 (2005) Abbott Laboratories 2D 3D TSV
15911279 9 Synthesis and structure-activity relationship of 3-phenyl-3H-quinazolin-4-one derivatives as CXCR3 chemokine receptor antagonists.EBI Bioorg Med Chem Lett 15: 2910-3 (2005) Vrije Universiteit Amsterdam 2D 3D TSV
15911278 6 New inhibitors of rabbit muscle triose-phosphate isomerase.EBI Bioorg Med Chem Lett 15: 2906-9 (2005) Université Paris-Sud 2D 3D TSV
15911276 55 Novel 2-N,N-dimethylaminomethyl-2,3,3a,12b-tetrahydrodibenzo[b,f]furo[2,3-d]oxepin derivatives displaying combined norepinephrine reuptake inhibition and 5-HT2A/2C receptor antagonism.EBI Bioorg Med Chem Lett 15: 2898-901 (2005) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
15911275 20 Synthesis, in vivo and in vitro biological activity of novel azaline B analogs.EBI Bioorg Med Chem Lett 15: 2894-7 (2005) Salk Institute 2D 3D TSV
15911274 26 Benzothieno[3,2-b]indole derivatives as potent selective estrogen receptor modulators.EBI Bioorg Med Chem Lett 15: 2891-3 (2005) Chinese Academy of Sciences 2D 3D TSV
15911273 70 A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors.EBI Bioorg Med Chem Lett 15: 2886-90 (2005) Reverse proteomics research institute 2D 3D TSV
15911272 21 Evaluation of 3-substituted arginine analogs as selective inhibitors of human nitric oxide synthase isozymes.EBI Bioorg Med Chem Lett 15: 2881-5 (2005) Nagoya City University 2D 3D TSV
15911271 22 Inhibition of IKK-2 by 2-[(aminocarbonyl)amino]-5-acetylenyl-3-thiophenecarboxamides.BDB Bioorg Med Chem Lett 15: 2870-5 (2005) Pfizer 2D 3D TSV
15911270 19 Synthesis and biological evaluation of sulfonamidooxazoles and beta-keto sulfones: selective inhibitors of 11beta-hydroxysteroid dehydrogenase type I.EBI Bioorg Med Chem Lett 15: 2865-9 (2005) Wyeth Research 2D 3D TSV
15911268 13 Synthesis and biological evaluation of chromone carboxamides as calpain inhibitors.EBI Bioorg Med Chem Lett 15: 2857-60 (2005) Institute of Science & Technology 2D 3D TSV
15911265 2 Discovery of AICAR Tfase inhibitors that disrupt requisite enzyme dimerization.EBI Bioorg Med Chem Lett 15: 2840-4 (2005) The Scripps Research Institute 2D 3D TSV
15911262 38 Discovery and development of dimeric podocarpic acid leads as potent agonists of liver X receptor with HDL cholesterol raising activity in mice and hamsters.EBI Bioorg Med Chem Lett 15: 2824-8 (2005) Merck Research Laboratories 2D 3D TSV
15911261 62 Design, synthesis, and evaluation of proline based melanocortin receptor ligands.EBI Bioorg Med Chem Lett 15: 2819-23 (2005) Procter& Gamble Pharmaceuticals 2D 3D TSV
15911260 50 Inhibitors of HCV NS5B polymerase. Part 2: Evaluation of the northern region of (2Z)-2-benzoylamino-3-(4-phenoxy-phenyl)-acrylic acid.EBI Bioorg Med Chem Lett 15: 2812-8 (2005) Pfizer Global Research & Development 2D 3D TSV
15911259 49 Discovery of 3,3-dimethyl-5-hydroxypipecolic hydroxamate-based inhibitors of aggrecanase and MMP-13.EBI Bioorg Med Chem Lett 15: 2808-11 (2005) Pfizer Global Research and Development Groton Laboratories 2D 3D TSV
15911258 45 Synthesis and biological evaluation of 6,7-disubstituted 4-aminopyrido[2,3-d]pyrimidines as adenosine kinase inhibitors.EBI Bioorg Med Chem Lett 15: 2803-7 (2005) Abbott Laboratories 2D 3D TSV
15911253 25 P2 pyridine N-oxide thrombin inhibitors: a novel peptidomimetic scaffold.EBI Bioorg Med Chem Lett 15: 2771-5 (2005) Merck Research Laboratories 2D 3D TSV
15911252 14 Synthesis and biological studies of yohimbine derivatives on human alpha2C-adrenergic receptors.EBI Bioorg Med Chem Lett 15: 2758-60 (2005) University of Tennessee 2D 3D TSV
15911251 26 Synthesis and evaluation of urea-based indazoles as melanin-concentrating hormone receptor 1 antagonists for the treatment of obesity.EBI Bioorg Med Chem Lett 15: 2752-7 (2005) Abbott Laboratories 2D 3D TSV
15911249 29 Design, synthesis, and biological activity of potent and selective inhibitors of mast cell tryptase.EBI Bioorg Med Chem Lett 15: 2734-7 (2005) Aventis Pharmaceuticals 2D 3D TSV
15908214 95 Non-hydroxamate 5-phenylpyrimidine-2,4,6-trione derivatives as selective inhibitors of tumor necrosis factor-alpha converting enzyme.EBI Bioorg Med Chem Lett 15: 2970-3 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15908213 35 In pursuit of alpha4beta2 nicotinic receptor partial agonists for smoking cessation: carbon analogs of (-)-cytisine.EBI Bioorg Med Chem Lett 15: 2974-9 (2005) Pfizer Global Research and Development 2D 3D TSV
15908209 25 The synthesis of substituted bipiperidine amide compounds as CCR3 ligands: antagonists versus agonists.EBI Bioorg Med Chem Lett 15: 3020-3 (2005) Schering Plough Research Institute 2D 3D TSV
15908206 164 Discovery of potent and selective orally bioavailable beta-substituted phenylalanine derived dipeptidyl peptidase IV inhibitors.BDB Bioorg Med Chem Lett 15: 3048-52 (2005) Merck Research Laboratories 2D 3D TSV
15908204 116 Carbonic anhydrase inhibitors. Inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, IX, and XII with Schiff's bases incorporating chromone and aromatic sulfonamide moieties, and their zinc complexes.EBI Bioorg Med Chem Lett 15: 3096-101 (2005) Ospedale San Lazzaro 2D 3D TSV
15908203 23 QSAR analysis of thiazole benzenesulfonamide substituted 3-pyridylethanolamines as beta3-adrenergic receptor agonist.EBI Bioorg Med Chem Lett 15: 3167-73 (2005) S.G.S.I.T.S. 2D 3D TSV
15908201 51 Carbonic anhydrase inhibitors. Synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with boron-containing sulfonamides, sulfamides, and sulfamates: toward agents for boron neutron capture therapy of hypoxic tumors.EBI Bioorg Med Chem Lett 15: 3302-6 (2005) Università degli Studi di Firenze 2D 3D TSV
15905091 134 Carbonic anhydrase inhibitors: novel sulfonamides incorporating 1,3,5-triazine moieties as inhibitors of the cytosolic and tumour-associated carbonic anhydrase isozymes I, II and IX.EBI Bioorg Med Chem Lett 15: 3102-8 (2005) Universit£ degli Studi di Firenze 2D 3D TSV
15901796 21 Bile salt export pump (BSEP/ABCB11) can transport a nonbile acid substrate, pravastatin.BDB J Pharmacol Exp Ther 314: 876-82 (2005) University of Tokyo 2D 3D TSV
15901723 13 NAD+-dependent DNA Ligase (Rv3014c) from Mycobacterium tuberculosis. Crystal structure of the adenylation domain and identification of novel inhibitors.BDB J Biol Chem 280: 30273-81 (2005) India Central Drug Research Institute 2D 3D TSV
15896959 14 Synthesis and evaluation of isatin derivatives as effective SARS coronavirus 3CL protease inhibitors.EBI Bioorg Med Chem Lett 15: 3058-62 (2005) Development Center for Biotechnology 2D 3D TSV
15896958 32 Acyclic cyanamide-based inhibitors of cathepsin K.EBI Bioorg Med Chem Lett 15: 3039-43 (2005) GlaxoSmithKline 2D 3D TSV
15896957 1 Structure-activity relationship of N-methyl-bisindolylmaleimide derivatives as cell death inhibitors.EBI Bioorg Med Chem Lett 15: 3109-13 (2005) Tohoku University 2D 3D TSV
15895686 3 Glutamylsulfamoyladenosine and pyroglutamylsulfamoyladenosine are competitive inhibitors of E. coli glutamyl-tRNA synthetase.BDB J Enzyme Inhib Med Chem 20: 61-7 (2005) CREFSIP 2D 3D TSV
15895683 14 Synthesis and inhibitory potential towards acetylcholinesterase, butyrylcholinesterase and lipoxygenase of some variably substituted chalcones.BDB J Enzyme Inhib Med Chem 20: 41-7 (2005) Quaid-i-Azam University 2D 3D TSV
15893929 3 Beta-lactam compounds as apparently uncompetitive inhibitors of HIV-1 protease.EBI Bioorg Med Chem Lett 15: 3086-90 (2005) University of Debrecen 2D 3D TSV
15893927 102 Hologram quantitative structure-activity relationships for a series of farnesoid X receptor activators.EBI Bioorg Med Chem Lett 15: 3119-25 (2005) Universidade de São Paulo 2D 3D TSV
15890515 62 4,5-Disubstituted cis-pyrrolidinones as inhibitors of type II 17beta-hydroxysteroid dehydrogenase. Part 2. SAR.EBI Bioorg Med Chem Lett 15: 3053-7 (2005) Bayer Research Center 2D 3D TSV
15887974 10 Synthesis and evaluation of new antimalarial phenylurenyl chalcone derivatives.BDB J Med Chem 48: 3654-8 (2005) Universidad Central de Venezuela 2D 3D TSV
15887973 1 Are L-adenosine and its derivatives substrates for S-adenosyl-L-homocysteine hydrolase?EBI J Med Chem 48: 3649-53 (2005) Florida International University 2D 3D TSV
15887972 8 A new structural motif for mu-opioid antagonists.EBI J Med Chem 48: 3644-8 (2005) Vrije Universiteit Brussel 2D 3D TSV
15887969 64 Optimization of amide-based inhibitors of soluble epoxide hydrolase with improved water solubility.EBI J Med Chem 48: 3621-9 (2005) Department of Entomology and University of California Davis Cancer Center 2D 3D TSV
15887968 13 Stereoselective binding of indomethacin ethanolamide derivatives to cyclooxygenase-1.EBI J Med Chem 48: 3613-20 (2005) Vanderbilt University 2D 3D TSV
15887967 24 Methyl substitution of 2-aminobicyclo[3.1.0]hexane 2,6-dicarboxylate (LY354740) determines functional activity at metabotropic glutamate receptors: identification of a subtype selective mGlu2 receptor agonist.EBI J Med Chem 48: 3605-12 (2005) Eli Lilly and Company 2D 3D TSV
15887966 58 Synthesis and structure-activity relationships of novel selective factor Xa inhibitors with a tetrahydroisoquinoline ring.EBI J Med Chem 48: 3586-604 (2005) Central Pharmaceutical Research Institute 2D 3D TSV
15887965 10 Structure-based design: synthesis and biological evaluation of a series of novel cycloamide-derived HIV-1 protease inhibitors.BDB J Med Chem 48: 3576-85 (2005) University of Illinois at Chicago 2D 3D TSV
15887964 47 Further studies on the interaction of the 5-hydroxytryptamine3 (5-HT3) receptor with arylpiperazine ligands. development of a new 5-HT3 receptor ligand showing potent acetylcholinesterase inhibitory properties.EBI J Med Chem 48: 3564-75 (2005) Universit£ di Siena 2D 3D TSV
15887963 43 AFMoC enhances predictivity of 3D QSAR: a case study with DOXP-reductoisomerase.EBI J Med Chem 48: 3547-63 (2005) Philipps University 2D 3D TSV
15887955 10 Varenicline: an alpha4beta2 nicotinic receptor partial agonist for smoking cessation.EBI J Med Chem 48: 3474-7 (2005) Pfizer Global Research and Development 2D 3D TSV
15887953 16 Synthesis and biological evaluation of benzodioxanylpiperazine derivatives as potent serotonin 5-HT(1A) antagonists: the discovery of Lecozotan.EBI J Med Chem 48: 3467-70 (2005) Wyeth Research 2D 3D TSV
15887952 26 Structure-based virtual screening for plant-based ERbeta-selective ligands as potential preventative therapy against age-related neurodegenerative diseases.EBI J Med Chem 48: 3463-6 (2005) University of Southern California 2D 3D TSV
15887951 29 The next generation of phosphodiesterase inhibitors: structural clues to ligand and substrate selectivity of phosphodiesterases.EBI J Med Chem 48: 3449-62 (2005) Monash University (Parkville Campus) 2D 3D TSV
15879005 27 Recognition of benztropine by the dopamine transporter (DAT) differs from that of the classical dopamine uptake inhibitors cocaine, methylphenidate, and mazindol as a function of a DAT transmembrane 1 aspartic acid residue.BDB J Pharmacol Exp Ther 314: 575-83 (2005) Duquesne University 2D 3D TSV
15878996 3 Preclinical profile of ciclesonide, a novel corticosteroid for the treatment of asthma.BDB J Pharmacol Exp Ther 314: 568-74 (2005) Imperial College 2D 3D TSV
15878277 42 Synthesis and phosphodiesterase 5 inhibitory activity of novel pyrido[1,2-e]purin-4(3H)-one derivatives.EBI Bioorg Med Chem Lett 15: 2790-4 (2005) Chinese Academy of Sciences 2D 3D TSV
15878275 11 Synthesis of tricyclic analogs of stephaoxocanidine and their evaluation as acetylcholinesterase inhibitors.EBI Bioorg Med Chem Lett 15: 2711-5 (2005) Universidad Nacional de Rosario 2D 3D TSV
15878274 33 Discovery of potent and use-dependent sodium channel blockers for treatment of chronic pain.EBI Bioorg Med Chem Lett 15: 2943-7 (2005) Merck Research Laboratories 2D 3D TSV
15878273 3 Total asymmetric synthesis of (-)-conduramine B-1 and of its enantiomer. N-Benzyl derivatives of conduramine B-1 are beta-glucosidase inhibitors.EBI Bioorg Med Chem Lett 15: 3071-5 (2005) Ecole Polytechnique Fédérale de Lausanne (EPFL) 2D 3D TSV
15876535 46 Estrogen receptor ligands: design and synthesis of new 2-arylindene-1-ones.EBI Bioorg Med Chem Lett 15: 3137-42 (2005) Wyeth Research 2D 3D TSV
15876531 28 A new orally bioavailable dual adenosine A2B/A3 receptor antagonist with therapeutic potential.EBI Bioorg Med Chem Lett 15: 3081-5 (2005) Novartis Institutes for Biomedical Research 2D 3D TSV
15870380 1 The dietary polyphenol ellagic acid is a potent inhibitor of hOAT1.EBI Drug Metab Dispos 33: 1097-100 (2005) Medical University of South Carolina 2D 3D TSV
15869877 37 Synthesis and in vitro pharmacological evaluation of salvinorin A analogues modified at C(2).EBI Bioorg Med Chem Lett 15: 2761-5 (2005) McLean Hospital 2D 3D TSV
15865431 8 First crystal structures of human carbonic anhydrase II in complex with dual aromatase-steroid sulfatase inhibitors.BDB Biochemistry 44: 6858-66 (2005) University of Bath 2D 3D TSV
15863342 21 Aryl sulfones: a new class of gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 15: 2685-8 (2005) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
15863341 33 Non-peptidic alpha(v)beta3 antagonists containing indol-1-yl propionic acids.EBI Bioorg Med Chem Lett 15: 2679-84 (2005) Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. 2D 3D TSV
15863339 29 Identification of chemokine receptor CCR4 antagonist.EBI Bioorg Med Chem Lett 15: 2669-72 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15863338 2 Design and synthesis of novel diphenacoum-derived, conformation-restricted vitamin K 2,3-epoxide reductase inhibitors.EBI Bioorg Med Chem Lett 15: 2665-8 (2005) Tunghai University 2D 3D TSV
15863335 111 Arylacetamide kappa opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity.EBI Bioorg Med Chem Lett 15: 2647-52 (2005) Adolor Corporation 2D 3D TSV
15863334 6 Geometry, topology, and atom-weights assembly descriptors to predicting A1 adenosine receptors agonists.EBI Bioorg Med Chem Lett 15: 2641-5 (2005) Experimental Sugar Cane Station 2D 3D TSV
15863327 9 5-Lipoxygenase inhibitors: convenient synthesis of 4-[3-(4-heterocyclylphenylthio)phenyl]-3,4,5,6-tetrahydro-2H-pyran-4-carboxamide analogues.EBI Bioorg Med Chem Lett 15: 2611-5 (2005) Pfizer Global Research & Development 2D 3D TSV
15863317 45 Discovery of 4-(dimethylamino)quinazolines as potent and selective antagonists for the melanin-concentrating hormone receptor 1.EBI Bioorg Med Chem Lett 15: 2565-9 (2005) Taisho Pharmaceutical Co. Ltd 2D 3D TSV
15863313 65 A potent and selective nonpeptide antagonist of the melanocortin-4 receptor induces food intake in satiated mice.EBI Bioorg Med Chem Lett 15: 2541-6 (2005) Neurocrine Biosciences, Inc. 2D 3D TSV
15863312 17 Design, new synthesis, and calcilytic activity of substituted 3H-pyrimidin-4-ones.EBI Bioorg Med Chem Lett 15: 2537-40 (2005) NPS Pharmaceuticals, Inc. 2D 3D TSV
15863311 244 Discovery of potent and selective phenylalanine based dipeptidyl peptidase IV inhibitors.BDB Bioorg Med Chem Lett 15: 2533-6 (2005) Merck Research Laboratories 2D 3D TSV
15863310 74 4-Alkyl and 4,4'-dialkyl 1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione derivatives as new inhibitors of bacterial cell wall biosynthesis.EBI Bioorg Med Chem Lett 15: 2527-31 (2005) Wyeth Research 2D 3D TSV
15863309 12 Lactams as prostanoid receptor ligands. Part 4: 2-Piperidones as selective EP4 receptor agonists.EBI Bioorg Med Chem Lett 15: 2523-6 (2005) Roche Palo Alto 2D 3D TSV
15863308 28 Uracils as potent antagonists of the human gonadotropin-releasing hormone receptor without atropisomers.EBI Bioorg Med Chem Lett 15: 2519-22 (2005) Neurocrine Biosciences, Inc. 2D 3D TSV
15863305 5 Structure-based design of protein tyrosine phosphatase-1B inhibitors.EBI Bioorg Med Chem Lett 15: 2503-7 (2005) AstraZeneca 2D 3D TSV
15863301 53 Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.EBI Bioorg Med Chem Lett 15: 2481-6 (2005) Pfizer Global Research and Development 2D 3D TSV
15863299 8 Synthesis and biological evaluation of new biphalin analogues with non-hydrazine linkers.EBI Bioorg Med Chem Lett 15: 2471-5 (2005) University of Arizona 2D 3D TSV
15863298 20 6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid mimics active conformation of tyrosine in opioid peptides.EBI Bioorg Med Chem Lett 15: 2467-9 (2005) University of Catania 2D 3D TSV
15863297 57 Discovery of novel conformationally constrained tropane-based biaryl and arylacetylene ligands as potent and selective norepinephrine transporter inhibitors and potential antidepressants.EBI Bioorg Med Chem Lett 15: 2461-5 (2005) Acenta Discovery, Inc. 2D 3D TSV
15863294 36 1-((S)-gamma-substituted prolyl)-(S)-2-cyanopyrrolidine as a novel series of highly potent DPP-IV inhibitors.EBI Bioorg Med Chem Lett 15: 2441-5 (2005) Mitsubishi Pharma Corporation 2D 3D TSV
15863293 30 Selective PPARgamma modulators with improved pharmacological profiles.EBI Bioorg Med Chem Lett 15: 2437-40 (2005) Merck Research Laboratories 2D 3D TSV
15857151 37 Convergent synthesis and pharmacology of substituted tetrazolyl-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid analogues.EBI J Med Chem 48: 3438-42 (2005) The Danish University of Pharmaceutical Sciences 2D 3D TSV
15857150 9 Computational strategies in discovering novel non-nucleoside inhibitors of HIV-1 RT.BDB J Med Chem 48: 3433-7 (2005) Universita di Messina 2D 3D TSV
15857149 24 1,5-Diarylpyrrole-3-acetic acids and esters as novel classes of potent and highly selective cyclooxygenase-2 inhibitors.EBI J Med Chem 48: 3428-32 (2005) Università "La Sapienza" 2D 3D TSV
15857146 30 C-5-disubstituted barbiturates as potential molecular probes for noninvasive matrix metalloproteinase imaging.EBI J Med Chem 48: 3400-9 (2005) University Hospital of the Westf£lische Wilhelms-Universit£t 2D 3D TSV
15857145 22 Adenosine kinase inhibitors. 4. 6,8-Disubstituted purine nucleoside derivatives. Synthesis, conformation, and enzyme inhibition.EBI J Med Chem 48: 3389-99 (2005) Metabasis Therapeutics, Inc. 2D 3D TSV
15857144 10 Design of benzophenone-containing photoactivatable linear vasopressin antagonists: pharmacological and photoreactive properties.EBI J Med Chem 48: 3379-88 (2005) INSERM 2D 3D TSV
15857143 48 Synthesis and biological evaluation of 14-alkoxymorphinans. 22.(1) Influence of the 14-alkoxy group and the substitution in position 5 in 14-alkoxymorphinan-6-ones on in vitro and in vivo activities.EBI J Med Chem 48: 3372-8 (2005) University La Sapienza 2D 3D TSV
15857141 41 Symmetrical bis-quinolinium compounds: new human choline kinase inhibitors with antiproliferative activity against the HT-29 cell line.EBI J Med Chem 48: 3354-63 (2005) Universidad de Granada 2D 3D TSV
15857140 30 Class II (IIa)-selective histone deacetylase inhibitors. 1. Synthesis and biological evaluation of novel (aryloxopropenyl)pyrrolyl hydroxyamides.EBI J Med Chem 48: 3344-53 (2005) Universit£ degli Studi di Roma"La Sapienza" 2D 3D TSV
15857139 31 Synthesis and pharmacology of 6-substituted benztropines: discovery of novel dopamine uptake inhibitors possessing low binding affinity to the dopamine transporter.EBI J Med Chem 48: 3337-43 (2005) Universit£ di Ferrara 2D 3D TSV
15857138 64 N-terminal fatty acylated His-dPhe-Arg-Trp-NH(2) tetrapeptides: influence of fatty acid chain length on potency and selectivity at the mouse melanocortin receptors and human melanocytes.EBI J Med Chem 48: 3328-36 (2005) University of Florida 2D 3D TSV
15857137 10 Structure-activity relationships of fluorinated lysophosphatidic acid analogues.EBI J Med Chem 48: 3319-27 (2005) The University of Utah 2D 3D TSV
15857136 4 Conformation mining: an algorithm for finding biologically relevant conformations.EBI J Med Chem 48: 3313-8 (2005) Rational Discovery LLC 2D 3D TSV
15857135 128 Structural requirements for factor Xa inhibition by 3-oxybenzamides with neutral P1 substituents: combining X-ray crystallography, 3D-QSAR, and tailored scoring functions.BDB J Med Chem 48: 3290-312 (2005) Aventis Pharma Deutschland GmbH 2D 3D TSV
15857134 32 Identification of novel low molecular weight CXCR4 antagonists by structural tuning of cyclic tetrapeptide scaffolds.EBI J Med Chem 48: 3280-9 (2005) Kyoto University 2D 3D TSV
15857130 37 Ligand-based prediction of active conformation by 3D-QSAR flexibility descriptors and their application in 3+3D-QSAR models.EBI J Med Chem 48: 3239-50 (2005) University of Szeged 2D 3D TSV
15857128 32 Frontal affinity chromatography with MS detection of EphB2 tyrosine kinase receptor. 2. Identification of small-molecule inhibitors via coupling with virtual screening.EBI J Med Chem 48: 3221-30 (2005) Protana Inc. 2D 3D TSV
15857126 3 Successful in silico discovery of novel nonsteroidal ligands for human sex hormone binding globulin.EBI J Med Chem 48: 3203-13 (2005) University of British Columbia 2D 3D TSV
15857123 51 Enantiomerically pure hexahydropyrazinoquinolines as potent and selective dopamine 3 subtype receptor ligands.EBI J Med Chem 48: 3171-81 (2005) University of Michigan 2D 3D TSV
15857121 1 Morphiceptin analogues containing a dipeptide mimetic structure: an investigation on the bioactive topology at the mu-receptor.EBI J Med Chem 48: 3153-63 (2005) Università degli Studi di Napoli "Federico II" 2D 3D TSV
15857120 81 Discovery of 3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indole-N-acetic acid (lidorestat) and congeners as highly potent and selective inhibitors of aldose reductase for treatment of chronic diabetic complications.BDB J Med Chem 48: 3141-52 (2005) The Institute for Diabetes Discovery 2D 3D TSV
15857116 5 1-(5-Chloro-2-alkoxyphenyl)-3-(5-cyanopyrazin-2-yl)ureas [correction of cyanopyrazi] as potent and selective inhibitors of Chk1 kinase: synthesis, preliminary SAR, and biological activities.BDB J Med Chem 48: 3118-21 (2005) Abbott Laboratories 2D 3D TSV
15857115 22 Thyroid receptor ligands. 3. Design and synthesis of 3,5-dihalo-4-alkoxyphenylalkanoic acids as indirect antagonists of the thyroid hormone receptor.BDB J Med Chem 48: 3114-7 (2005) Karo Bio AB 2D 3D TSV
15857114 11 Toward a novel class of antithrombotic compounds with dual function. Discovery of 1,4-benzoxazin-3(4H)-one derivatives possessing thrombin inhibitory and fibrinogen receptor antagonistic activities.EBI J Med Chem 48: 3110-3 (2005) University of Ljubljana 2D 3D TSV
15857113 12 Identification and structure-activity relationship of phenolic acyl hydrazones as selective agonists for the estrogen-related orphan nuclear receptors ERRbeta and ERRgamma.BDB J Med Chem 48: 3107-9 (2005) GSK 2D 3D TSV
15857112 55 Discovery of diphenyloxazole and Ndelta-Z-ornithine derivatives as highly potent and selective human prostaglandin EP(4) receptor antagonists.EBI J Med Chem 48: 3103-6 (2005) Fujisawa Pharmaceutical Co., Ltd. 2D 3D TSV
15857110 96 Discovery of a beta-MSH-derived MC-4R selective agonist.EBI J Med Chem 48: 3095-8 (2005) Lilly Research Laboratories 2D 3D TSV
15855355 2 Pharmacodynamic characterization of ZP120 (Ac-RYYRWKKKKKKK-NH2), a novel, functionally selective nociceptin/orphanin FQ peptide receptor partial agonist with sodium-potassium-sparing aquaretic activity.BDB J Pharmacol Exp Ther 314: 652-60 (2005) Louisiana State University 2D 3D TSV
15850984 18 Chemistry and biology of dihydroisoxazole derivatives: selective inhibitors of human transglutaminase 2.BDB Chem Biol 12: 469-75 (2005) Stanford University 2D 3D TSV
15850980 12 Switching between allosteric and dimerization inhibition of HIV-1 protease.BDB Chem Biol 12: 439-44 (2005) Purdue University 2D 3D TSV
15845005 7 Novel behavior of O-methylated beta-cyclodextrins in inclusion of meso-tetraarylporphyrins.BDB J Org Chem 70: 3667-73 (2005) Doshisha University 2D 3D TSV
15844964 2 Guttiferone I, a new prenylated benzophenone from Garcinia humilis as a liver X receptor ligand.EBI J Nat Prod 68: 617-9 (2005) Merck Research Laboratories 2D 3D TSV
15844962 2 Tenellones A and B from a Diaporthe sp.: two highly substituted benzophenone inhibitors of parasite cGMP-dependent protein kinase activity.EBI J Nat Prod 68: 611-3 (2005) Merck Research Laboratories 2D 3D TSV
15844952 2 The psammaplysenes, specific inhibitors of FOXO1a nuclear export.EBI J Nat Prod 68: 574-6 (2005) Harvard Medical School 2D 3D TSV
15844951 5 Cremastrine, a pyrrolizidine alkaloid from Cremastra appendiculata.EBI J Nat Prod 68: 572-3 (2005) Mitsubishi Pharma Corporation 2D 3D TSV
15837334 9 QSAR for phospholipase A2 inhibitions by 1-acyloxy-3-N-n-octylcarbamyl-benzenes.EBI Bioorg Med Chem Lett 15: 2405-8 (2005) National Chung-Hsing University 2D 3D TSV
15837333 5 The development of new isoxazolone based inhibitors of tumor necrosis factor-alpha (TNF-alpha) production.EBI Bioorg Med Chem Lett 15: 2399-403 (2005) Procter and Gamble Pharmaceuticals 2D 3D TSV
15837330 16 2,3-Diaminopyridine as a platform for designing structurally unique nonpeptide bradykinin B1 receptor antagonists.EBI Bioorg Med Chem Lett 15: 2385-8 (2005) Merck Research Laboratories 2D 3D TSV
15837329 37 New pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as potent and selective PDE5 inhibitors.EBI Bioorg Med Chem Lett 15: 2381-4 (2005) Rhône-Poulenc Rorer 2D 3D TSV
15837327 12 Equipotent activity in both enantiomers of a series of ketopiperazine-based renin inhibitors.EBI Bioorg Med Chem Lett 15: 2371-4 (2005) Pfizer Global Research and Development 2D 3D TSV
15837326 51 Optimization of purine based PDE1/PDE5 inhibitors to a potent and selective PDE5 inhibitor for the treatment of male ED.EBI Bioorg Med Chem Lett 15: 2365-9 (2005) Schering-Plough Research Institute 2D 3D TSV
15837325 69 Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating thioureido-sulfanilyl scaffolds.EBI Bioorg Med Chem Lett 15: 2359-64 (2005) Ospedale San Lazzaro 2D 3D TSV
15837324 30 Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, IX, and XII with N-hydroxysulfamides--a new zinc-binding function in the design of inhibitors.EBI Bioorg Med Chem Lett 15: 2353-8 (2005) Universit£ degli Studi di Firenze 2D 3D TSV
15837323 66 Carbonic anhydrase inhibitors. Inhibition of the cytosolic and tumor-associated carbonic anhydrase isozymes I, II, and IX with a series of 1,3,4-thiadiazole- and 1,2,4-triazole-thiols.EBI Bioorg Med Chem Lett 15: 2347-52 (2005) University of Bucharest 2D 3D TSV
15837316 6 Carbonic anhydrase inhibitors. Zonisamide is an effective inhibitor of the cytosolic isozyme II and mitochondrial isozyme V: solution and X-ray crystallographic studies.EBI Bioorg Med Chem Lett 15: 2315-20 (2005) University of Naples Federico II 2D 3D TSV
15837315 13 A new development of matrix metalloproteinase inhibitors: twin hydroxamic acids as potent inhibitors of MMPs.EBI Bioorg Med Chem Lett 15: 2311-4 (2005) Università degli Studi di Pisa 2D 3D TSV
15837314 53 Discovery and optimisation of potent, selective, ethanolamine inhibitors of bacterial phenylalanyl tRNA synthetase.BDB Bioorg Med Chem Lett 15: 2305-9 (2005) GSK 2D 3D TSV
15837312 66 Furanyl-1,3-thiazol-2-yl and benzoxazol-5-yl acetic acid derivatives: novel classes of heparanase inhibitor.EBI Bioorg Med Chem Lett 15: 2295-9 (2005) Celltech R&D Ltd 2D 3D TSV
15837308 19 Oximinoarylsulfonamides as potent HIV protease inhibitors.BDB Bioorg Med Chem Lett 15: 2275-8 (2005) Abbott Laboratories 2D 3D TSV
15837306 92 Benzimidazoles as non-peptide luteinizing hormone-releasing hormone (LHRH) antagonists. Part 3: Discovery of 1-(1H-benzimidazol-5-yl)-3-tert-butylurea derivatives.EBI Bioorg Med Chem Lett 15: 2265-9 (2005) Kyoto 619-0216 2D 3D TSV
15837305 4 Novel approach to pro-drugs of lactones: water soluble imidate and ortho-ester derivatives of a furanone-based COX-2 selective inhibitor.EBI Bioorg Med Chem Lett 15: 2259-63 (2005) Merck Research Laboratories 2D 3D TSV
15837304 132 Dipeptidyl peptidase IV inhibitors derived from beta-aminoacylpiperidines bearing a fused thiazole, oxazole, isoxazole, or pyrazole.BDB Bioorg Med Chem Lett 15: 2253-8 (2005) Merck Research Laboratories 2D 3D TSV
15837303 52 Solid-phase synthesis of naphthylamidines as factor VIIa/tissue factor inhibitors.EBI Bioorg Med Chem Lett 15: 2249-52 (2005) Berlex Biosciences 2D 3D TSV
15837300 30 Phthalazinones. Part 1: The design and synthesis of a novel series of potent inhibitors of poly(ADP-ribose)polymerase.EBI Bioorg Med Chem Lett 15: 2235-8 (2005) KuDOS Horsham Ltd 2D 3D TSV
15837299 11 NMDA-NR2B subtype selectivity of stereoisomeric 2-(1,2,3,4-tetrahydro-1-isoquinolyl)ethanol derivatives.EBI Bioorg Med Chem Lett 15: 2231-4 (2005) Ludwig-Maximilians-Universität München 2D 3D TSV
15837298 62 Novel 2-amino-4-oxo-5-arylthio-substituted-pyrrolo[2,3-d]pyrimidines as nonclassical antifolate inhibitors of thymidylate synthase.EBI Bioorg Med Chem Lett 15: 2225-30 (2005) Duquesne University 2D 3D TSV
15837297 33 3-Acyl-2,6-diaminopyridines as cyclin-dependent kinase inhibitors: synthesis and biological evaluation.BDB Bioorg Med Chem Lett 15: 2221-4 (2005) Johnson & Johnson Pharmaceutical 2D 3D TSV
15837296 6 Studies on the reactivity of CDDO, a promising new chemopreventive and chemotherapeutic agent: implications for a molecular mechanism of action.EBI Bioorg Med Chem Lett 15: 2215-9 (2005) Dartmouth College 2D 3D TSV
15837295 55 A structural screening approach to ketoamide-based inhibitors of cathepsin K.EBI Bioorg Med Chem Lett 15: 2209-13 (2005) GlaxoSmithKline 2D 3D TSV
15837294 36 Novel 4-amino-furo[2,3-d]pyrimidines as Tie-2 and VEGFR2 dual inhibitors.BDB Bioorg Med Chem Lett 15: 2203-7 (2005) GlaxoSmithKline 2D 3D TSV
15831442 46 Beneficial effects of a new 20-hydroxyeicosatetraenoic acid synthesis inhibitor, TS-011 [N-(3-chloro-4-morpholin-4-yl) phenyl-N'-hydroxyimido formamide], on hemorrhagic and ischemic stroke.BDB J Pharmacol Exp Ther 314: 77-85 (2005) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
15830466 21 Synthesis and anticancer activity of new pyrrolocarbazoles and pyrrolo-beta-carbolines.BDB Bioorg Med Chem 13: 2263-83 (2005) CNRS 2D 3D TSV
15828847 8 Potent and selective Aurora inhibitors identified by the expansion of a novel scaffold for protein kinase inhibition.BDB J Med Chem 48: 3080-4 (2005) Nerviano Medical Sciences 2D 3D TSV
15828846 47 Synthesis and structure-activity relationship of fluoro analogues of 8-{2-[4-(4-methoxyphenyl)piperazin-1yl]ethyl}-8-azaspiro[4.5]decane-7,9-dione as selective alpha(1d)-adrenergic receptor antagonists.EBI J Med Chem 48: 3076-9 (2005) Lundbeck Research USA, Inc. 2D 3D TSV
15828845 93 Structure-activity relationships of the unique and potent agouti-related protein (AGRP)-melanocortin chimeric Tyr-c[beta-Asp-His-DPhe-Arg-Trp-Asn-Ala-Phe-Dpr]-Tyr-NH2 peptide template.EBI J Med Chem 48: 3060-75 (2005) University of Florida 2D 3D TSV
15828839 4 Applying linear interaction energy method for rational design of noncompetitive allosteric inhibitors of the sarco- and endoplasmic reticulum calcium-ATPase.EBI J Med Chem 48: 3005-14 (2005) Johns Hopkins University 2D 3D TSV
15828836 13 Novel C-17-heteroaryl steroidal CYP17 inhibitors/antiandrogens: synthesis, in vitro biological activity, pharmacokinetics, and antitumor activity in the LAPC4 human prostate cancer xenograft model.EBI J Med Chem 48: 2972-84 (2005) University of Maryland 2D 3D TSV
15828835 6 Dimeric zanamivir conjugates with various linking groups are potent, long-lasting inhibitors of influenza neuraminidase including H5N1 avian influenza.EBI J Med Chem 48: 2964-71 (2005) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
15828834 18 Pyridinium-1-yl bisphosphonates are potent inhibitors of farnesyl diphosphate synthase and bone resorption.EBI J Med Chem 48: 2957-63 (2005) University of Illinois at Urbana-Champaign 2D 3D TSV
15828833 29 3-Aminopyrazole inhibitors of CDK2/cyclin A as antitumor agents. 2. Lead optimization.BDB J Med Chem 48: 2944-56 (2005) Nerviano Medical Sciences 2D 3D TSV
15828832 14 High affinity central benzodiazepine receptor ligands: synthesis and biological evaluation of a series of phenyltriazolobenzotriazindione derivatives.EBI J Med Chem 48: 2936-43 (2005) Università di Pisa 2D 3D TSV
15828829 300 Identification and characterization of novel benzil (diphenylethane-1,2-dione) analogues as inhibitors of mammalian carboxylesterases.BDB J Med Chem 48: 2906-15 (2005) University of Mississippi 2D 3D TSV
15828828 136 Evaluation of 8-arylsulfanyl, 8-arylsulfoxyl, and 8-arylsulfonyl adenine derivatives as inhibitors of the heat shock protein 90.EBI J Med Chem 48: 2892-905 (2005) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
15828827 52 (5-Arylfuran-2-ylcarbonyl)guanidines as cardioprotectives through the inhibition of Na+/H+ exchanger isoform-1.EBI J Med Chem 48: 2882-91 (2005) Korea Research Institute of Chemical Technology 2D 3D TSV
15828826 17 Synthesis and pharmacology of ethylphenidate enantiomers: the human transesterification metabolite of methylphenidate and ethanol.EBI J Med Chem 48: 2876-81 (2005) Medical University of South Carolina 2D 3D TSV
15828825 3 Design, synthesis, and antiviral activity of adenosine 5'-phosphonate analogues as chain terminators against hepatitis C virus.EBI J Med Chem 48: 2867-75 (2005) Valeant Pharmaceuticals International 2D 3D TSV
15828816 100 N-terminal sugar conjugation and C-terminal Thr-for-Thr(ol) exchange in radioiodinated Tyr3-octreotide: effect on cellular ligand trafficking in vitro and tumor accumulation in vivo.EBI J Med Chem 48: 2778-89 (2005) Technische Universit£t M£nchen 2D 3D TSV
15828812 3 Novel and potent 17beta-hydroxysteroid dehydrogenase type 1 inhibitors.EBI J Med Chem 48: 2759-62 (2005) University of Bath 2D 3D TSV
15826183 33 Terephthalamide derivatives as mimetics of helical peptides: disruption of the Bcl-x(L)/Bak interaction.BDB J Am Chem Soc 127: 5463-8 (2005) Yale University 2D 3D TSV
15808492 29 Synthesis and evaluation of potential inhibitors of eIF4E cap binding to 7-methyl GTP.EBI Bioorg Med Chem Lett 15: 2177-80 (2005) University of Minnesota 2D 3D TSV
15808489 60 Novel heterocyclic glucocorticoids: in vitro profile and in vivo efficacy.EBI Bioorg Med Chem Lett 15: 2163-7 (2005) Merck Research Laboratories 2D 3D TSV
15808487 137 The role of QSAR in dopamine interactions.EBI Bioorg Med Chem Lett 15: 2149-57 (2005) Pomona College 2D 3D TSV
15808483 30 Potent 1,3,4-trisubstituted pyrrolidine CCR5 receptor antagonists: effects of fused heterocycles on antiviral activity and pharmacokinetic properties.EBI Bioorg Med Chem Lett 15: 2129-34 (2005) Merck Research Laboratories 2D 3D TSV
15808481 21 6-(2-Furanyl)-9H-purin-2-amine derivatives as A2A adenosine antagonists.EBI Bioorg Med Chem Lett 15: 2119-22 (2005) Schering-Plough Research Institute 2D 3D TSV
15808478 18 Synthesis and opioid receptor binding properties of a highly potent 4-hydroxy analogue of naltrexone.EBI Bioorg Med Chem Lett 15: 2107-10 (2005) Rensselaer Polytechnic Institute 2D 3D TSV
15808477 23 Discovery, synthesis and biological evaluation of novel glucokinase activators.EBI Bioorg Med Chem Lett 15: 2103-6 (2005) AstraZeneca UK 2D 3D TSV
15808476 15 QSAR analyses of conformationally restricted 1,5-diaryl pyrazoles as selective COX-2 inhibitors: application of connection table representation of ligands.EBI Bioorg Med Chem Lett 15: 2097-102 (2005) Devi Ahilya Vishwavidyalaya 2D 3D TSV
15808475 40 Design, synthesis and activity of novel derivatives of oxybutynin and tolterodine.EBI Bioorg Med Chem Lett 15: 2093-6 (2005) Ranbaxy Research Laboratories 2D 3D TSV
15808474 43 Discovery of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid diamides that increase CFTR mediated chloride transport.EBI Bioorg Med Chem Lett 15: 2087-91 (2005) Genzyme Corp. 2D 3D TSV
15808471 144 2-(Arylmethyl)-3-substituted quinuclidines as selective alpha 7 nicotinic receptor ligands.EBI Bioorg Med Chem Lett 15: 2073-7 (2005) Targacept, Inc. 2D 3D TSV
15808469 32 Inhibitory activities against topoisomerase I and II by isoaurostatin derivatives and their structure-activity relationships.EBI Bioorg Med Chem Lett 15: 2065-8 (2005) Kumamoto University 2D 3D TSV
15808467 1 A general carbometalation, three component coupling strategy for the synthesis of alpha,beta-unsaturated gamma-sultines including thio-rofecoxib, a selective COX-2 inhibitor.EBI Bioorg Med Chem Lett 15: 2057-60 (2005) Methyl Gene Inc. 2D 3D TSV
15808464 32 Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP.EBI Bioorg Med Chem Lett 15: 2041-5 (2005) Merck Research Laboratories 2D 3D TSV
15808463 35 Design, synthesis, and activity of achiral analogs of 2-quinolones and indoles as non-thiol farnesyltransferase inhibitors.BDB Bioorg Med Chem Lett 15: 2033-9 (2005) Abbott Laboratories 2D 3D TSV
15808455 39 Bicyclic amidine inhibitors of nitric oxide synthase: discovery of perhydro-iminopyrindine and perhydro-iminoquinoline as potent, orally active inhibitors of inducible nitric oxide synthase.EBI Bioorg Med Chem Lett 15: 1997-2001 (2005) Merck Research Laboratories 2D 3D TSV
15808454 49 2-Piperazinecarboxamides as potent and selective melanocortin subtype-4 receptor agonists.EBI Bioorg Med Chem Lett 15: 1993-6 (2005) Merck Research Laboratories 2D 3D TSV
15808453 14 Binding of isotryptamines and indenes at h5-HT6 serotonin receptors.EBI Bioorg Med Chem Lett 15: 1987-91 (2005) Virginia Commonwealth University 2D 3D TSV
15808450 52 Substituted aminobenzimidazole pyrimidines as cyclin-dependent kinase inhibitors.EBI Bioorg Med Chem Lett 15: 1973-7 (2005) Bayer Research Center 2D 3D TSV
15801860 22 Synthesis of 2',3'-dideoxynucleoside 5'-alpha-P-borano-beta,gamma-(difluoromethylene)triphosphates and their inhibition of HIV-1 reverse transcriptase.EBI J Med Chem 48: 2695-700 (2005) Biota, Inc. 2D 3D TSV
15801859 40 Anchor-GRIND: filling the gap between standard 3D QSAR and the GRid-INdependent descriptors.EBI J Med Chem 48: 2687-94 (2005) IMIM/Universitat Pompeu Fabra 2D 3D TSV
15801858 27 Discovery of the alpha7 nicotinic acetylcholine receptor agonists. (R)-3'-(5-Chlorothiophen-2-yl)spiro-1-azabicyclo[2.2.2]octane-3,5'-[1',3']oxazolidin-2'-one as a novel, potent, selective, and orally bioavailable ligand.EBI J Med Chem 48: 2678-86 (2005) Mitsubishi Pharma Corporation 2D 3D TSV
15801855 52 Preparation and pharmacological characterization of trans-2-amino-5(6)-fluoro-6(5)-hydroxy-1-phenyl-2,3-dihydro-1H-indenes as D2-like dopamine receptor agonists.EBI J Med Chem 48: 2646-54 (2005) Universit£ G. D'Annunzio 2D 3D TSV
15801854 26 Synthesis, structure-activity relationships at the GABA(A) receptor in rat brain, and differential electrophysiological profile at the recombinant human GABA(A) receptor of a series of substituted 1,2-diphenylimidazoles.EBI J Med Chem 48: 2638-45 (2005) Universit£ di Sassari 2D 3D TSV
15801853 62 Synthesis and pharmacology of N1-substituted piperazine-2,3-dicarboxylic acid derivatives acting as NMDA receptor antagonists.EBI J Med Chem 48: 2627-37 (2005) University Walk 2D 3D TSV
15801845 45 Fluorinated diaryl sulfides as serotonin transporter ligands: synthesis, structure-activity relationship study, and in vivo evaluation of fluorine-18-labeled compounds as PET imaging agents.EBI J Med Chem 48: 2559-70 (2005) Columbia University College of Physicians and Surgeons 2D 3D TSV
15801844 25 Synthesis and structure-activity relationships of a new model of arylpiperazines. 8. Computational simulation of ligand-receptor interaction of 5-HT(1A)R agonists with selectivity over alpha1-adrenoceptors.EBI J Med Chem 48: 2548-58 (2005) Universidad Complutense 2D 3D TSV
15801843 16 Virtual screening workflow development guided by the"receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4.EBI J Med Chem 48: 2534-47 (2005) Universit£ Ren£ Descartes-Paris V 2D 3D TSV
15801840 19 Substituted 5,5'-diphenyl-2-thioxoimidazolidin-4-one as CB1 cannabinoid receptor ligands: synthesis and pharmacological evaluation.EBI J Med Chem 48: 2509-17 (2005) Université catholique de Louvain 2D 3D TSV
15801839 51 CoMFA and CoMSIA investigations revealing novel insights into the binding modes of dopamine D3 receptor agonists.EBI J Med Chem 48: 2493-508 (2005) Friedrich-Alexander University 2D 3D TSV
15801838 4 Architecture of the human urotensin II receptor: comparison of the binding domains of peptide and non-peptide urotensin II agonists.EBI J Med Chem 48: 2480-92 (2005) Università di Napoli Federico II 2D 3D TSV
15801836 18 LEA3D: a computer-aided ligand design for structure-based drug design.EBI J Med Chem 48: 2457-68 (2005) INSERM 2D 3D TSV
15801833 35 Synthesis of 3-arylpiperazinylalkylpyrrolo[3,2-d]pyrimidine-2,4-dione derivatives as novel, potent, and selective alpha1-adrenoceptor ligands.EBI J Med Chem 48: 2420-31 (2005) Università di Catania 2D 3D TSV
15801832 38 Sulfur-substituted alpha-alkyl phenethylamines as selective and reversible MAO-A inhibitors: biological activities, CoMFA analysis, and active site modeling.EBI J Med Chem 48: 2407-19 (2005) Universidad de Chile 2D 3D TSV
15801831 94 Discovery of a potent and selective inhibitor of cyclin-dependent kinase 4/6.BDB J Med Chem 48: 2388-406 (2005) Pfizer 2D 3D TSV
15801830 127 Pyrido[2,3-d]pyrimidin-7-ones as specific inhibitors of cyclin-dependent kinase 4.BDB J Med Chem 48: 2371-87 (2005) Pfizer 2D 3D TSV
15801827 4 Structures of three classes of anticancer agents bound to the human topoisomerase I-DNA covalent complex.EBI J Med Chem 48: 2336-45 (2005) deCODE BioStructures 2D 3D TSV
15801825 9 Enantiospecificity of glutamate carboxypeptidase II inhibition.BDB J Med Chem 48: 2319-24 (2005) Guilford 2D 3D TSV
15801822 28 9-hydroxyazafluorenes and their use in thrombin inhibitors.EBI J Med Chem 48: 2282-93 (2005) Merck Research Laboratories 2D 3D TSV
15801821 5 Virtual docking approaches to protein kinase B inhibition.BDB J Med Chem 48: 2278-81 (2005) The Burnham Institute 2D 3D TSV
15801820 31 Discovery of bicycloalkyl urea melanin concentrating hormone receptor antagonists: orally efficacious antiobesity therapeutics.EBI J Med Chem 48: 2274-7 (2005) Schering-Plough Research Institute 2D 3D TSV
15801819 23 Design of potent and selective 2-aminobenzimidazole-based p38alpha MAP kinase inhibitors with excellent in vivo efficacy.EBI J Med Chem 48: 2270-3 (2005) Eli Lilly and Co. 2D 3D TSV
15801818 18 3-Substituted imidazo[1,2-d][1,2,4]-thiadiazoles: a novel class of factor XIIIa inhibitors.EBI J Med Chem 48: 2266-9 (2005) Apotex Research Inc. 2D 3D TSV
15801817 32 Discovery of a novel series of peroxisome proliferator-activated receptor alpha/gamma dual agonists for the treatment of type 2 diabetes and dyslipidemia.EBI J Med Chem 48: 2262-5 (2005) Merck Research Laboratories 2D 3D TSV
15801816 15 Discovery of a fluoroindolo[2,3-a]carbazole clinical candidate with broad spectrum antitumor activity in preclinical tumor models superior to the marketed oncology drug, CPT-11.EBI J Med Chem 48: 2258-61 (2005) The Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15798001 56 Inhibitory effect of the 4-aminotetrahydroquinoline derivatives, selective chemoattractant receptor-homologous molecule expressed on T helper 2 cell antagonists, on eosinophil migration induced by prostaglandin D2.BDB J Pharmacol Exp Ther 314: 244-51 (2005) Kyowa Hakko Kogyo Co., Ltd. 2D 3D TSV
15795226 52 High-throughput screening for potent and selective inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase.BDB J Biol Chem 280: 21847-53 (2005) University of Texas Southwestern Medical Center 2D 3D TSV
15787457 3 Sesquiterpenoids and plasmin-inhibitory flavonoids from Blumea balsamifera.EBI J Nat Prod 68: 447-9 (2005) Chiba University 2D 3D TSV
15787429 5 Terphenylquinone inhibitors of the src protein tyrosine kinase from Stilbella sp.EBI J Nat Prod 68: 323-6 (2005) Boehringer Ingelheim Pharma GmbH & Co. KG 2D 3D TSV
15784656 15 Hepatic glucocorticoid receptor antagonism is sufficient to reduce elevated hepatic glucose output and improve glucose control in animal models of type 2 diabetes.BDB J Pharmacol Exp Ther 314: 191-200 (2005) Abbott Laboratories 2D 3D TSV
15781124 12 UDP-glucuronosyltransferases and clinical drug-drug interactions.EBI Pharmacol Ther 106: 97-132 (2005) The University of British Columbia 2D 3D TSV
15780638 45 Structure-based design of a new class of highly selective aminoimidazo[1,2-a]pyridine-based inhibitors of cyclin dependent kinases.BDB Bioorg Med Chem Lett 15: 1943-7 (2005) Lilly Research Laboratories 2D 3D TSV
15780637 3 Carbonic anhydrase inhibitors: X-ray crystal structure of a benzenesulfonamide strong CA II and CA IX inhibitor bearing a pentafluorophenylaminothioureido tail in complex with isozyme II.EBI Bioorg Med Chem Lett 15: 1937-42 (2005) University of Naples 'Federico II' 2D 3D TSV
15780636 58 Structure-activity relationships for 2-anilino-6-phenylpyrido[2,3-d]pyrimidin-7(8H)-ones as inhibitors of the cellular checkpoint kinase Wee1.EBI Bioorg Med Chem Lett 15: 1931-5 (2005) University of Auckland 2D 3D TSV
15780631 55 Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V and IX with complex fluorides, chlorides and cyanides.EBI Bioorg Med Chem Lett 15: 1909-13 (2005) Università degli Studi di Firenze 2D 3D TSV
15780630 74 Novel cyclopentane dicarboxamide sodium channel blockers as a potential treatment for chronic pain.EBI Bioorg Med Chem Lett 15: 1901-7 (2005) Merck Research Laboratories 2D 3D TSV
15780629 38 Design, synthesis, and structure-activity relationships of tetrahydroquinoline-based farnesyltransferase inhibitors.EBI Bioorg Med Chem Lett 15: 1895-9 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15780628 15 Molecular-modeling based design, synthesis, and activity of substituted piperidines as gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 15: 1891-4 (2005) Wyeth Research 2D 3D TSV
15780627 61 Structure-activity relationship study of novel tissue transglutaminase inhibitors.EBI Bioorg Med Chem Lett 15: 1885-9 (2005) Harvard Medical School 2D 3D TSV
15780624 9 Synthesis of 15R-PGD2: a potential DP2 receptor agonist.EBI Bioorg Med Chem Lett 15: 1873-6 (2005) Florida Institute of Technology 2D 3D TSV
15780621 6 Structure-based design, synthesis, and biological evaluation of novel 1,4-diazepines as HDM2 antagonists.EBI Bioorg Med Chem Lett 15: 1857-61 (2005) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
15780619 15 Structure-activity relationship of the novel bivalent and C-terminal modified analogues of endomorphin-2.EBI Bioorg Med Chem Lett 15: 1847-50 (2005) Lanzhou University 2D 3D TSV
15780618 29 1,3-Dioxo-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-c]quinolines as potent caspase-3 inhibitors.BDB Bioorg Med Chem Lett 15: 1841-5 (2005) Chemical Diversity Research Institute 2D 3D TSV
15780617 20 Novel heterocyclic thyromimetics.EBI Bioorg Med Chem Lett 15: 1835-40 (2005) BAYER HealthCare AG 2D 3D TSV
15780616 9 Fused pyrimidine based inhibitors of phosphodiesterase 7 (PDE7): synthesis and initial structure-activity relationships.EBI Bioorg Med Chem Lett 15: 1829-33 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15780613 28 Novel and potent cyclic cyanamide-based cathepsin K inhibitors.EBI Bioorg Med Chem Lett 15: 1815-9 (2005) GlaxoSmithKline 2D 3D TSV
15780611 74 Potent pyrimidinetrione-based inhibitors of MMP-13 with enhanced selectivity over MMP-14.EBI Bioorg Med Chem Lett 15: 1807-10 (2005) Pfizer Global Research and Development 2D 3D TSV
15780609 52 Tetrahydroisoquinoline 1-carboxamides as growth hormone secretagogues.EBI Bioorg Med Chem Lett 15: 1799-802 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15780608 12 Design, synthesis, biological evaluation and molecular docking of curcumin analogues as antioxidant, cyclooxygenase inhibitory and anti-inflammatory agents.EBI Bioorg Med Chem Lett 15: 1793-7 (2005) National Institute of Pharmaceutical Education and Research (NIPER) 2D 3D TSV
15780607 13 Structure-activity relationships of the oxindole growth hormone secretagogues.EBI Bioorg Med Chem Lett 15: 1789-92 (2005) Sumitomo Pharmaceuticals Co., Ltd 2D 3D TSV
15780605 2 QSAR-by-NMR: quantitative insights into structural determinants for binding affinity by analysis of 1H/15N chemical shift differences in MMP-3 ligands.EBI Bioorg Med Chem Lett 15: 1779-83 (2005) Aventis Pharma Deutschland GmbH 2D 3D TSV
15780604 2 18F-labeled sufentanil for PET-imaging of mu-opioid receptors.EBI Bioorg Med Chem Lett 15: 1773-7 (2005) Technische Universit£t M£nchen 2D 3D TSV
15772071 3 Novel small molecule inhibitors of 3-phosphoinositide-dependent kinase-1.BDB J Biol Chem 280: 19867-74 (2005) Berlex Biosciences 2D 3D TSV
15771468 19 Design and synthesis of N-[(4-methoxyphenoxy)carbonyl]-N-[[4-[2-(5- methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine [Muraglitazar/BMS-298585], a novel peroxisome proliferator-activated receptor alpha/gamma dual agonist with efficacious glucose and lipid-lowering activities.EBI J Med Chem 48: 2248-50 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15771466 46 Development of low molecular weight HIV-1 protease dimerization inhibitors.EBI J Med Chem 48: 2239-42 (2005) Purdue University 2D 3D TSV
15771465 56 4-phenoxypiperidines: potent, conformationally restricted, non-imidazole histamine H3 antagonists.EBI J Med Chem 48: 2229-38 (2005) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
15771462 125 Discovery of CC chemokine receptor-3 (CCR3) antagonists with picomolar potency.EBI J Med Chem 48: 2194-211 (2005) Pharmaceutical Research Institute 2D 3D TSV
15771458 5 Norpiperidine imidazoazepines as a new class of potent, selective, and nonsedative H1 antihistamines.EBI J Med Chem 48: 2154-66 (2005) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
15771457 77 Synthesis, structure-activity relationship, and receptor pharmacology of a new series of quinoline derivatives acting as selective, noncompetitive mGlu1 antagonists.EBI J Med Chem 48: 2134-53 (2005) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
15771456 21 Pyrroloquinolone PDE5 inhibitors with improved pharmaceutical profiles for clinical studies on erectile dysfunction.EBI J Med Chem 48: 2126-33 (2005) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
15771455 110 Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/membrane-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating hydrazino moieties.BDB J Med Chem 48: 2121-5 (2005) Universita degli Studi di Firenze 2D 3D TSV
15771453 22 Development of spin-labeled probes for adenosine receptors.EBI J Med Chem 48: 2108-14 (2005) University of Bonn 2D 3D TSV
15771450 42 Synthesis of new benzoxazinone derivatives as neuropeptide Y5 antagonists for the treatment of obesity.EBI J Med Chem 48: 2080-92 (2005) Laboratorios Dr. Esteve, S.A. 2D 3D TSV
15771448 187 Discovery of a new series of centrally active tricyclic isoxazoles combining serotonin (5-HT) reuptake inhibition with alpha2-adrenoceptor blocking activity.EBI J Med Chem 48: 2054-71 (2005) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
15771447 24 A series of ligands displaying a remarkable agonistic-antagonistic profile at the adenosine A1 receptor.EBI J Med Chem 48: 2045-53 (2005) Leiden/Amsterdam Center for Drug Research 2D 3D TSV
15771446 42 Biological properties of D- and L-1-deoxyazasugars.EBI J Med Chem 48: 2036-44 (2005) Toyama Medical and Pharmaceutical University 2D 3D TSV
15771445 22 Binding thermodynamics as a tool to investigate the mechanisms of drug-receptor interactions: thermodynamics of cytoplasmic steroid/nuclear receptors in comparison with membrane receptors.EBI J Med Chem 48: 2026-35 (2005) University of Ferrara 2D 3D TSV
15771443 94 Novel diamino derivatives of [1,2,4]triazolo[1,5-a][1,3,5]triazine as potent and selective adenosine A2a receptor antagonists.EBI J Med Chem 48: 2009-18 (2005) Biogen Idec, Inc. 2D 3D TSV
15771442 154 In-depth study of tripeptide-based alpha-ketoheterocycles as inhibitors of thrombin. Effective utilization of the S1' subsite and its implications to structure-based drug design.BDB J Med Chem 48: 1984-2008 (2005) Johnson & Johnson Pharmaceutical 2D 3D TSV
15771440 3 Design of HIV-1 protease inhibitors active on multidrug-resistant virus.EBI J Med Chem 48: 1965-73 (2005) Tibotec BVBA 2D 3D TSV
15771438 19 Comparison of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-II by using topiramate as a structural platform.EBI J Med Chem 48: 1941-7 (2005) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
15771437 42 Design and optimization of tricyclic phtalimide analogues as novel inhibitors of HIV-1 integrase.EBI J Med Chem 48: 1930-40 (2005) Tibotec BVBA 2D 3D TSV
15771436 38 Development of molecular probes for the identification of extra interaction sites in the mid-gorge and peripheral sites of butyrylcholinesterase (BuChE). Rational design of novel, selective, and highly potent BuChE inhibitors.BDB J Med Chem 48: 1919-29 (2005) Universita di Siena 2D 3D TSV
15771433 30 Synthesis and discovery of pyrazine-pyridine biheteroaryl as a novel series of potent vascular endothelial growth factor receptor-2 inhibitors.BDB J Med Chem 48: 1886-900 (2005) Johnson & Johnson Pharmaceutical 2D 3D TSV
15771432 48 Checkpoint kinase inhibitors: SAR and radioprotective properties of a series of 2-arylbenzimidazoles.EBI J Med Chem 48: 1873-85 (2005) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
15771431 85 Identification and biological evaluation of 4-(3-trifluoromethylpyridin-2-yl)piperazine-1-carboxylic acid (5-trifluoromethylpyridin-2-yl)amide, a high affinity TRPV1 (VR1) vanilloid receptor antagonist.EBI J Med Chem 48: 1857-72 (2005) Johnson & Johnson Pharmaceutical Research and Development L.L.C. 2D 3D TSV
15771430 129 Discovery of a potent, selective, and efficacious class of reversible alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase effective as analgesics.EBI J Med Chem 48: 1849-56 (2005) The Scripps Research Institute 2D 3D TSV
15771429 104 Novel 3D pharmacophore of alpha-MSH/gamma-MSH hybrids leads to selective human MC1R and MC3R analogues.EBI J Med Chem 48: 1839-48 (2005) University of Arizona 2D 3D TSV
15771428 66 Bioisosteric replacements of the pyrazole moiety of rimonabant: synthesis, biological properties, and molecular modeling investigations of thiazoles, triazoles, and imidazoles as potent and selective CB1 cannabinoid receptor antagonists.EBI J Med Chem 48: 1823-38 (2005) Solvay Pharma 2D 3D TSV
15771426 34 Nanomolar inhibitors of CNS epinephrine biosynthesis: (R)-(+)-3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinolines as potent and highly selective inhibitors of phenylethanolamine N-methyltransferase1.EBI J Med Chem 48: 1806-12 (2005) University of Kansas 2D 3D TSV
15771425 65 Synthesis and evaluation of imidazolylmethylenetetrahydronaphthalenes and imidazolylmethyleneindanes: potent inhibitors of aldosterone synthase.BDB J Med Chem 48: 1796-805 (2005) Saarland University 2D 3D TSV
15771424 74 Medicinal chemistry driven approaches toward novel and selective serotonin 5-HT6 receptor ligands.EBI J Med Chem 48: 1781-95 (2005) Laboratorios Dr. Esteve S.A. 2D 3D TSV
15771423 98 Fluoro-olefins as peptidomimetic inhibitors of dipeptidyl peptidases.BDB J Med Chem 48: 1768-80 (2005) University of Antwerp 2D 3D TSV
15771421 96 (N)-methanocarba 2,N6-disubstituted adenine nucleosides as highly potent and selective A3 adenosine receptor agonists.EBI J Med Chem 48: 1745-58 (2005) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
15771420 58 Discovery of 1-(3'-aminobenzisoxazol-5'-yl)-3-trifluoromethyl-N-[2-fluoro-4-[(2'-dimethylaminomethyl)imidazol-1-yl]phenyl]-1H-pyrazole-5-carboxyamide hydrochloride (razaxaban), a highly potent, selective, and orally bioavailable factor Xa inhibitor.BDB J Med Chem 48: 1729-44 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15771419 134 Novel indolylindazolylmaleimides as inhibitors of protein kinase C-beta: synthesis, biological activity, and cardiovascular safety.EBI J Med Chem 48: 1725-8 (2005) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
15771418 38 Novel pyridyl ring C5 substituted analogues of epibatidine and 3-(1-methyl-2(S)-pyrrolidinylmethoxy)pyridine (A-84543) as highly selective agents for neuronal nicotinic acetylcholine receptors containing beta2 subunits.EBI J Med Chem 48: 1721-4 (2005) University of Illinois at Chicago 2D 3D TSV
15771417 48 2-Hydroxy-4,6-diamino-[1,3,5]triazines: a novel class of VEGF-R2 (KDR) tyrosine kinase inhibitors.EBI J Med Chem 48: 1717-20 (2005) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
15771415 155 Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents.EBI J Med Chem 48: 1709-12 (2005) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
15771414 36 Novel atypical antipsychotic agents: rational design, an efficient palladium-catalyzed route, and pharmacological studies.EBI J Med Chem 48: 1705-8 (2005) Università di Siena 2D 3D TSV
15771413 24 Synthesis and pharmacological evaluation of huprine-tacrine heterodimers: subnanomolar dual binding site acetylcholinesterase inhibitors.BDB J Med Chem 48: 1701-4 (2005) Universitat de Barcelona 2D 3D TSV
15771412 23 Identification of substituted 6-amino-4-phenyltetrahydroquinoline derivatives: potent antagonists for the follicle-stimulating hormone receptor.EBI J Med Chem 48: 1697-700 (2005) Research and Development 2D 3D TSV
15764739 7 Desensitization of the human motilin receptor by motilides.BDB J Pharmacol Exp Ther 313: 1397-405 (2005) Katholieke Universiteit Leuven 2D 3D TSV
15755666 18 Synthesis and inhibitory activity of benzoic acid and pyridine derivatives on influenza neuraminidase.BDB Bioorg Med Chem 13: 2665-78 (2005) BioCryst Pharmaceuticals, Inc. 2D 3D TSV
15755665 7 Discovery of novel non-peptidic ketopiperazine-based renin inhibitors.BDB Bioorg Med Chem 13: 2657-64 (2005) Pfizer 2D 3D TSV
15745833 55 Isosteric ramatroban analogs: selective and potent CRTH-2 antagonists.EBI Bioorg Med Chem Lett 15: 1749-53 (2005) Athersys, Inc. 2D 3D TSV
15745832 35 Further studies on ethenyl and ethynyl-4-phenylamino-3-quinolinecarbonitriles: identification of a subnanomolar Src kinase inhibitor.BDB Bioorg Med Chem Lett 15: 1743-7 (2005) Wyeth-Ayerst Research 2D 3D TSV
15745831 32 A two-state homology model of the hERG K+ channel: application to ligand binding.EBI Bioorg Med Chem Lett 15: 1737-41 (2005) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
15745827 10 Novel beta-(imidazol-4-yl)-beta-amino acids: solid-phase synthesis and study of their inhibitory activity against geranylgeranyl protein transferase type I.EBI Bioorg Med Chem Lett 15: 1713-9 (2005) Janssen Research Foundation 2D 3D TSV
15745826 22 1-(1-Naphthyl)piperazine as a novel template for 5-HT6 serotonin receptor ligands.EBI Bioorg Med Chem Lett 15: 1707-11 (2005) Virginia Commonwealth University 2D 3D TSV
15745825 15 Design, synthesis and structure-activity relationship studies of hexahydropyrazinoquinolines as a novel class of potent and selective dopamine receptor 3 (D3) ligands.EBI Bioorg Med Chem Lett 15: 1701-5 (2005) University of Michigan 2D 3D TSV
15745824 1 Identification of a 5-HT4 receptor antagonist clinical candidate through side-chain modification.EBI Bioorg Med Chem Lett 15: 1697-700 (2005) Roche Palo Alto 2D 3D TSV
15745822 43 Discovery and SAR studies of a novel series of noncovalent cathepsin S inhibitors.EBI Bioorg Med Chem Lett 15: 1687-91 (2005) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
15745821 21 Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with organic phosphates and phosphonates.EBI Bioorg Med Chem Lett 15: 1683-6 (2005) Université Montpellier II 2D 3D TSV
15745820 42 Estrogen receptor ligands. Part 10: Chromanes: old scaffolds for new SERAMs.EBI Bioorg Med Chem Lett 15: 1675-81 (2005) Merck Research Laboratories 2D 3D TSV
15745819 64 Potent and selective [2-imidazol-1-yl-2-(6-alkoxy-naphthalen-2-yl)-1-methyl-ethyl]-dimethyl-amines as retinoic acid metabolic blocking agents (RAMBAs).EBI Bioorg Med Chem Lett 15: 1669-73 (2005) OSI Pharmaceuticals, Inc. 2D 3D TSV
15745817 14 Combinatorial approaches towards the discovery of new tryptase inhibitors.EBI Bioorg Med Chem Lett 15: 1659-64 (2005) University of Barcelona 2D 3D TSV
15745815 7 Nonpeptide alpha(v)beta3 antagonists: identification of potent, chain-shortened 7-oxo RGD mimetics.EBI Bioorg Med Chem Lett 15: 1647-50 (2005) Merck Research Laboratories 2D 3D TSV
15745814 75 Synthesis and SAR of diazepine and thiazepine TACE and MMP inhibitors.EBI Bioorg Med Chem Lett 15: 1641-5 (2005) Wyeth Research 2D 3D TSV
15745810 39 Melanocortin subtype-4 receptor agonists containing a piperazine core with substituted aryl sulfonamides.EBI Bioorg Med Chem Lett 15: 1623-7 (2005) Amgen Inc. 2D 3D TSV
15745809 15 Homotryptamines as potent and selective serotonin reuptake inhibitors (SSRIs).EBI Bioorg Med Chem Lett 15: 1619-21 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15745805 13 Novel and potent NPY5 receptor antagonists derived from virtual screening and iterative parallel chemistry design.EBI Bioorg Med Chem Lett 15: 1599-603 (2005) F. Hoffmann-La Roche Ltd 2D 3D TSV
15745802 40 Aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2).EBI Bioorg Med Chem Lett 15: 1587-90 (2005) Pfizer Global Research and Development 2D 3D TSV
15745801 5 Synthesis and in vitro biological evaluation of a carbon glycoside analogue of morphine-6-glucuronide.EBI Bioorg Med Chem Lett 15: 1583-6 (2005) Human BioMolecular Research Institute 2D 3D TSV
15745800 80 Inhibitors of HCV NS5B polymerase: synthesis and structure-activity relationships of N-1-heteroalkyl-4-hydroxyquinolon-3-yl-benzothiadiazines.EBI Bioorg Med Chem Lett 15: 1577-82 (2005) Abbott Laboratories 2D 3D TSV
15745798 25 Allosteric potentiators of the metabotropic glutamate receptor 2 (mGlu2). Part 3: Identification and biological activity of indanone containing mGlu2 receptor potentiators.EBI Bioorg Med Chem Lett 15: 1565-71 (2005) Merck Research Laboratories 2D 3D TSV
15745796 22 3H-Quinazolin-4-ones as a new calcilytic template for the potential treatment of osteoporosis.EBI Bioorg Med Chem Lett 15: 1557-60 (2005) NPS Pharmaceuticals, Inc. 2D 3D TSV
15745795 27 Identification of small molecule inhibitors of the hepatitis C virus RNA-dependent RNA polymerase from a pyrrolidine combinatorial mixture.EBI Bioorg Med Chem Lett 15: 1553-6 (2005) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
15743921 10 Functional selectivity of melanocortin 4 receptor peptide and nonpeptide agonists: evidence for ligand-specific conformational states.BDB J Pharmacol Exp Ther 313: 1281-8 (2005) Neurocrine Biosciences Inc 2D 3D TSV
15743919 14 Endocrinological properties of two novel nonsteroidal progesterone receptor modulators, CP8816 and CP8863.BDB J Pharmacol Exp Ther 313: 916-20 (2005) Meiji Seika Kaisha, Ltd. 2D 3D TSV
15743211 4 Identification of small molecule chemical inhibitors of the collagen-specific chaperone Hsp47.EBI J Med Chem 48: 1680-4 (2005) McMaster University 2D 3D TSV
15743206 33 Discovery of a novel class of reversible non-peptide caspase inhibitors via a structure-based approach.BDB J Med Chem 48: 1649-56 (2005) Burnham Institute 2D 3D TSV
15743203 272 3D-QSAR comparative molecular field analysis on opioid receptor antagonists: pooling data from different studies.EBI J Med Chem 48: 1620-9 (2005) University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) 2D 3D TSV
15743202 37 Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.BDB J Med Chem 48: 1610-9 (2005) GlaxoSmithKline 2D 3D TSV
15743201 58 Structure-based design, synthesis, and study of potent inhibitors of beta-ketoacyl-acyl carrier protein synthase III as potential antimicrobial agents.BDB J Med Chem 48: 1596-609 (2005) Quorex Pharmaceuticals Inc. 2D 3D TSV
15743198 134 Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase.BDB J Med Chem 48: 1563-75 (2005) Saarland University 2D 3D TSV
15743197 37 Synthesis, biological evaluation, and molecular modeling of ribose-modified adenosine analogues as adenosine receptor agonists.EBI J Med Chem 48: 1550-62 (2005) Universit£ di Camerino 2D 3D TSV
15743196 40 Rational design, synthesis, and structure-activity relationships of aryltriazoles as novel corticotropin-releasing factor-1 receptor antagonists.EBI J Med Chem 48: 1540-9 (2005) Neurocrine Biosciences Inc. 2D 3D TSV
15743195 29 Design and biological evaluation of linear and cyclic phosphopeptide ligands of the N-terminal SH2 domain of protein tyrosine phosphatase SHP-1.EBI J Med Chem 48: 1528-39 (2005) Friedrich-Schiller-University 2D 3D TSV
15743194 91 Novel ligands for the chemokine receptor-3 (CCR3): a receptor-modeling study based on 5D-QSAR.EBI J Med Chem 48: 1515-27 (2005) Biographics Laboratory 3R 2D 3D TSV
15743193 2 NMR studies reveal structural differences between the gallium and yttrium complexes of DOTA-D-Phe1-Tyr3-octreotide.EBI J Med Chem 48: 1506-14 (2005) Technische Universit£t M£nchen 2D 3D TSV
15743192 45 Dynamic receptor-based pharmacophore model development and its application in designing novel HIV-1 integrase inhibitors.EBI J Med Chem 48: 1496-505 (2005) University of Houston 2D 3D TSV
15743191 1 A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction.EBI J Med Chem 48: 1489-95 (2005) Wyeth Research 2D 3D TSV
15743188 528 CoMFA and CoMSIA analyses of Pneumocystis carinii dihydrofolate reductase, Toxoplasma gondii dihydrofolate reductase, and rat liver dihydrofolate reductase.EBI J Med Chem 48: 1448-69 (2005) Duquesne University 2D 3D TSV
15743180 404 Discovery of functionally selective 7,8,9,10-tetrahydro-7,10-ethano-1,2,4-triazolo[3,4-a]phthalazines as GABA A receptor agonists at the alpha3 subunit.EBI J Med Chem 48: 1367-83 (2005) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
15743179 79 Novel potent orally active selective VEGFR-2 tyrosine kinase inhibitors: synthesis, structure-activity relationships, and antitumor activities of N-phenyl-N'-{4-(4-quinolyloxy)phenyl}ureas.EBI J Med Chem 48: 1359-66 (2005) Kirin Brewery Co. Ltd. 2D 3D TSV
15743177 43 Synthesis and biological evaluation of meperidine analogues at monoamine transporters.EBI J Med Chem 48: 1336-43 (2005) University of New Orleans 2D 3D TSV
15743174 9 Identification of 2-(4-benzyloxyphenyl)-N- [1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]acetamide, an orally efficacious melanin-concentrating hormone receptor 1 antagonist for the treatment of obesity.EBI J Med Chem 48: 1318-21 (2005) Abbott Laboratories 2D 3D TSV
15743173 36 Development and preliminary optimization of indole-N-acetamide inhibitors of hepatitis C virus NS5B polymerase.EBI J Med Chem 48: 1314-7 (2005) IRBM (Merck Research Laboratories Rome) 2D 3D TSV
15743172 2 New approaches toward anti-HIV chemotherapy.EBI J Med Chem 48: 1297-313 (2005) Katholieke Universiteit Leuven 2D 3D TSV
15742375 56 From the insoluble dye indirubin towards highly active, soluble CDK2-inhibitors.BDB Chembiochem 6: 531-40 (2005) Schering AG 2D 3D TSV
15734651 135 A neoceptor approach to unraveling microscopic interactions between the human A2A adenosine receptor and its agonists.BDB Chem Biol 12: 237-47 (2005) National Institutes of Health 2D 3D TSV
15734645 4 Structural basis for the highly selective inhibition of MMP-13.BDB Chem Biol 12: 181-9 (2005) Aventis Pharma Deutschland GmbH 2D 3D TSV
15730241 12 Bioactive constituents from Boswellia papyrifera.EBI J Nat Prod 68: 189-93 (2005) University of Karachi 2D 3D TSV
15725032 3 Development of a technique to determine bicyclomycin-rho binding and stoichiometry by isothermal titration calorimetry and mass spectrometry.BDB J Am Chem Soc 127: 2741-51 (2005) University of North Carolina 2D 3D TSV
15723556 4 Use of binding enthalpy to drive an allosteric transition.BDB Biochemistry 44: 3112-21 (2005) University of Maryland 2D 3D TSV
15715497 14 Amino acid ester prodrugs of the antiviral agent 2-bromo-5,6-dichloro-1-(beta-D-ribofuranosyl)benzimidazole as potential substrates of hPEPT1 transporter.EBI J Med Chem 48: 1274-7 (2005) University of Michigan 2D 3D TSV
15715490 145 8-Substituted analogues of 3-(3-cyclopentyloxy-4-methoxy-benzyl)-8-isopropyladenine: highly potent and selective PDE4 inhibitors.BDB J Med Chem 48: 1237-43 (2005) Purdue Pharma LP 2D 3D TSV
15715489 4 Chiral DNA gyrase inhibitors. 3. Probing the chiral preference of the active site of DNA gyrase. Synthesis of 10-fluoro-6-methyl-6,7-dihydro-9-piperazinyl- 2H-benzo[a]quinolizin-20-one-3-carboxylic acid analogues.EBI J Med Chem 48: 1229-36 (2005) University of Kansas 2D 3D TSV
15715488 21 Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 3'-substituted deschloroepibatidine analogues. Novel nicotinic antagonists.EBI J Med Chem 48: 1221-8 (2005) Research Triangle Institute 2D 3D TSV
15715483 88 3-[(2R)-Amino-2-phenylethyl]-1-(2,6-difluorobenzyl)-5-(2-fluoro-3-methoxyphenyl)- 6-methylpyrimidin-2,4-dione (NBI 42902) as a potent and orally active antagonist of the human gonadotropin-releasing hormone receptor. Design, synthesis, and in vitro and in vivo characterization.EBI J Med Chem 48: 1169-78 (2005) Neurocrine Biosciences, Inc. 2D 3D TSV
15715478 164 Optimization of 6,7-disubstituted-4-(arylamino)quinoline-3-carbonitriles as orally active, irreversible inhibitors of human epidermal growth factor receptor-2 kinase activity.EBI J Med Chem 48: 1107-31 (2005) Wyeth Research 2D 3D TSV
15715477 3 Synthesis and biological evaluation of dimeric RGD peptide-paclitaxel conjugate as a model for integrin-targeted drug delivery.EBI J Med Chem 48: 1098-106 (2005) University of Southern California 2D 3D TSV
15715476 4 Structure-based drug discovery using GPCR homology modeling: successful virtual screening for antagonists of the alpha1A adrenergic receptor.EBI J Med Chem 48: 1088-97 (2005) Aventis Pharma Deutschland GmBH 2D 3D TSV
15715468 44 Novel anticholinesterases based on the molecular skeletons of furobenzofuran and methanobenzodioxepine.EBI J Med Chem 48: 986-94 (2005) National Institute on Aging 2D 3D TSV
15715463 16 Design, synthesis, and biological evaluation of novel potent and selective alphavbeta3/alphavbeta5 integrin dual inhibitors with improved bioavailability. Selection of the molecular core.EBI J Med Chem 48: 926-34 (2005) Johnson and Johnson Pharmaceutical Research & Development 2D 3D TSV
15715461 18 Improving specificity vs bacterial thymidylate synthases through N-dansyl modulation of didansyltyrosine.EBI J Med Chem 48: 913-6 (2005) Università degli Studi di Modena e Reggio Emilia 2D 3D TSV
15715460 2 Discovery and cocrystal structure of benzodiazepinedione HDM2 antagonists that activate p53 in cells.BDB J Med Chem 48: 909-12 (2005) Johnson & Johnson Pharmaceutical 2D 3D TSV
15715459 3 Discovery and structure-activity relationship of quinuclidine benzamides as agonists of alpha7 nicotinic acetylcholine receptors.EBI J Med Chem 48: 905-8 (2005) Pfizer Inc. 2D 3D TSV
15715457 30 Minor structural modifications convert the dual TP/CRTH2 antagonist ramatroban into a highly selective and potent CRTH2 antagonist.EBI J Med Chem 48: 897-900 (2005) 7TM Pharma A/S 2D 3D TSV
15713421 9 (E)-Phenyl- and -heteroaryl-substituted O-benzoyl-(or acyl)oximes as lipoprotein-associated phospholipase A2 inhibitors.EBI Bioorg Med Chem Lett 15: 1525-7 (2005) National Research Laboratory of Lipid Metabolism and Atherosclerosis 2D 3D TSV
15713418 42 Lysine derivatives as potent HIV protease inhibitors. Discovery, synthesis and structure-activity relationship studies.BDB Bioorg Med Chem Lett 15: 1509-13 (2005) Pharmacor Inc 2D 3D TSV
15713417 40 Benzothiophenes containing a piperazine side chain as selective ligands for the estrogen receptor alpha and their bioactivities in vivo.EBI Bioorg Med Chem Lett 15: 1505-7 (2005) Chinese Academy of Sciences 2D 3D TSV
15713416 30 Glucokinase-activating ureas.EBI Bioorg Med Chem Lett 15: 1501-4 (2005) OSI Pharmaceuticals 2D 3D TSV
15713415 13 Structure-activity relationships of dimeric PPAR agonists.EBI Bioorg Med Chem Lett 15: 1497-500 (2005) Novo Nordisk A/S 2D 3D TSV
15713413 1 Aglycon specificity profiling of alpha-glucosidases using synthetic probes.EBI Bioorg Med Chem Lett 15: 1489-92 (2005) Institute of Physical and Chemical Research (RIKEN) 2D 3D TSV
15713410 2 Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.EBI Bioorg Med Chem Lett 15: 1475-8 (2005) Genomics Institute of the Novartis Research Foundation (GNF) 2D 3D TSV
15713408 96 Discovery and SAR of new benzazepines as potent and selective 5-HT(2C) receptor agonists for the treatment of obesity.EBI Bioorg Med Chem Lett 15: 1467-70 (2005) Arena Pharmaceuticals Inc. 2D 3D TSV
15713407 52 Structure-activity relationships and sub-type selectivity in an oxabicyclic estrogen receptor alpha/beta agonist scaffold.EBI Bioorg Med Chem Lett 15: 1463-6 (2005) Ligand Pharmaceuticals 2D 3D TSV
15713406 22 Synthesis and evaluation of azalanstat analogues as heme oxygenase inhibitors.EBI Bioorg Med Chem Lett 15: 1457-61 (2005) Queen's University 2D 3D TSV
15713403 40 Synthesis and activity of 4,5-diarylimidazoles as human CB1 receptor inverse agonists.EBI Bioorg Med Chem Lett 15: 1441-6 (2005) Merck Research Laboratories 2D 3D TSV
15713402 51 Tryptamine and homotryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase.BDB Bioorg Med Chem Lett 15: 1435-40 (2005) Bristol-Myers Squibb Company 2D 3D TSV
15713401 21 Synthesis and SAR of 4-(3-hydroxyphenylamino)pyrrolo[2,1-f][1,2,4]triazine based VEGFR-2 kinase inhibitors.EBI Bioorg Med Chem Lett 15: 1429-33 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15713400 99 Discovery of an exceptionally potent and selective class of fatty acid amide hydrolase inhibitors enlisting proteome-wide selectivity screening: concurrent optimization of enzyme inhibitor potency and selectivity.EBI Bioorg Med Chem Lett 15: 1423-8 (2005) The Scripps Research Institute 2D 3D TSV
15713397 12 Efficient synthesis of bicyclic oxazolino- and thiazolino[3,2-c]pyrimidine-5,7-diones and its application to the synthesis of GnRH antagonists.EBI Bioorg Med Chem Lett 15: 1407-11 (2005) Neurocrine Biosciences, Inc. 2D 3D TSV
15713396 22 Discovery and investigation of a novel class of thiophene-derived antagonists of the human glucagon receptor.EBI Bioorg Med Chem Lett 15: 1401-5 (2005) Merck Research Laboratories 2D 3D TSV
15713392 3 Utilization of a nitrobenzoxadiazole (NBD) fluorophore in the design of a Grb2 SH2 domain-binding peptide mimetic.EBI Bioorg Med Chem Lett 15: 1385-8 (2005) NIH 2D 3D TSV
15713391 19 Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: peptidomimetic replacement of the P2 alpha-amino acid by a alpha-hydroxy acid.EBI Bioorg Med Chem Lett 15: 1379-83 (2005) Maxim Pharmaceuticals 2D 3D TSV
15713390 53 The synthesis of substituted bipiperidine amide compounds as CCR3 antagonists.EBI Bioorg Med Chem Lett 15: 1375-8 (2005) Schering Plough Research Institute 2D 3D TSV
15713387 18 Novel and orally bioavailable inducible nitric oxide synthase inhibitors: synthesis and evaluation of optically active 4,5-dialkyl-2-iminoselenazolidine derivatives.EBI Bioorg Med Chem Lett 15: 1361-6 (2005) Dainippon Pharmaceutical Co., Ltd 2D 3D TSV
15713384 28 (R)-2-(4-Phenylbutyl)dihydrobenzofuran derivatives as melatoninergic agents.EBI Bioorg Med Chem Lett 15: 1345-9 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15713382 16 Synthesis and evaluation of pyrazolidine derivatives as dipeptidyl peptidase IV (DP-IV) inhibitors.EBI Bioorg Med Chem Lett 15: 1337-40 (2005) Korea Research Institute of Chemical Technology 2D 3D TSV
15713380 16 cis-6-oxo-hexahydro-2-oxa-1,4-diazapentalene and cis-6-oxo-hexahydropyrrolo[3,2-c]pyrazole based scaffolds: design rationale, synthesis and cysteinyl proteinase inhibition.EBI Bioorg Med Chem Lett 15: 1327-31 (2005) Amura Therapeutics Limited, Inc 2D 3D TSV
15713379 40 N-i-Propoxy-N-biphenylsulfonylaminobutylhydroxamic acids as potent and selective inhibitors of MMP-2 and MT1-MMP.EBI Bioorg Med Chem Lett 15: 1321-6 (2005) Universit£ degli Studi di Pisa 2D 3D TSV
15713378 72 Benzodipyrazoles: a new class of potent CDK2 inhibitors.BDB Bioorg Med Chem Lett 15: 1315-9 (2005) Nerviano Medical Sciences 2D 3D TSV
15713370 22 Amino acid conjugates as kappa opioid receptor agonists.EBI Bioorg Med Chem Lett 15: 1279-82 (2005) Adolor Corporation 2D 3D TSV
15711537 653 A small molecule-kinase interaction map for clinical kinase inhibitors.EBI Nat Biotechnol 23: 329-36 (2005) Ambit Biosciences 2D 3D TSV
15710600 29 Demonstration of isoleucine 199 as a structural determinant for the selective inhibition of human monoamine oxidase B by specific reversible inhibitors.BDB J Biol Chem 280: 15761-6 (2005) Emory University 2D 3D TSV
15696597 18 Structure-aided optimization of kinase inhibitors derived from alsterpaullone.BDB Chembiochem 6: 541-9 (2005) Technische Universität Braunschweig 2D 3D TSV
15696596 33 Inhibition of angiogenesis-relevant receptor tyrosine kinases by sulindac analogues.BDB Chembiochem 6: 527-31 (2005) Max-Planck-Institut für Molekulare Physiologie 2D 3D TSV
15689175 25 Carbocyclic[g]indole inhibitors of human nonpancreatic s-PLA2.EBI J Med Chem 48: 893-6 (2005) The Lilly Research Laboratories 2D 3D TSV
15689169 9 Identification of a novel cardenolide (2''-oxovoruscharin) from Calotropis procera and the hemisynthesis of novel derivatives displaying potent in vitro antitumor activities and high in vivo tolerance: structure-activity relationship analyses.EBI J Med Chem 48: 849-56 (2005) Unibioscreen SA 2D 3D TSV
15689168 89 Novel heterocyclic trans olefin analogues of N-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl}arylcarboxamides as selective probes with high affinity for the dopamine D3 receptor.EBI J Med Chem 48: 839-48 (2005) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
15689160 7 Design and synthesis of conformationally constrained Grb2 SH2 domain binding peptides employing alpha-methylphenylalanyl based phosphotyrosyl mimetics.EBI J Med Chem 48: 764-72 (2005) National Cancer Institute 2D 3D TSV
15689158 21 Novel transient receptor potential vanilloid 1 receptor antagonists for the treatment of pain: structure-activity relationships for ureas with quinoline, isoquinoline, quinazoline, phthalazine, quinoxaline, and cinnoline moieties.BDB J Med Chem 48: 744-52 (2005) Abbott Laboratories 2D 3D TSV
15689157 28 Crystal structure of a human cyclin-dependent kinase 6 complex with a flavonol inhibitor, fisetin.BDB J Med Chem 48: 737-43 (2005) Lawrence Berkeley National Laboratory 2D 3D TSV
15689154 27 Modeling the similarity and divergence of dopamine D2-like receptors and identification of validated ligand-receptor complexes.EBI J Med Chem 48: 694-709 (2005) Friedrich-Alexander University 2D 3D TSV
15689152 3 Mechanism of CDK5/p25 binding by CDK inhibitors.EBI J Med Chem 48: 671-9 (2005) European Institute of Oncology 2D 3D TSV
15689151 112 Alkylamino derivatives of 4-aminomethylpyridine as inhibitors of copper-containing amine oxidases.EBI J Med Chem 48: 664-70 (2005) Universit£ di Genova 2D 3D TSV
15689149 4 Structure of human cytidine deaminase bound to a potent inhibitor.EBI J Med Chem 48: 658-60 (2005) Harvard University 2D 3D TSV
15689148 19 Bis-huperzine B: highly potent and selective acetylcholinesterase inhibitors.BDB J Med Chem 48: 655-7 (2005) Shanghai Institute of Materia Medica 2D 3D TSV
15686949 33 N-Acyl arylsulfonamides as novel, reversible inhibitors of human steroid sulfatase.EBI Bioorg Med Chem Lett 15: 1235-8 (2005) Novartis Institutes for BioMedical Research 2D 3D TSV
15686947 1 Discovery and structure-activity relationships of 2-benzylpyrrolidine-substituted aryloxypropanols as calcium-sensing receptor antagonists.EBI Bioorg Med Chem Lett 15: 1225-8 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15686946 36 Halogenated and isosteric cytisine derivatives with increased affinity and functional activity at nicotinic acetylcholine receptors.EBI Bioorg Med Chem Lett 15: 1221-4 (2005) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
15686945 19 1,4-Diazepane-2,5-diones as novel inhibitors of LFA-1.EBI Bioorg Med Chem Lett 15: 1217-20 (2005) Novartis Institutes for BioMedical Research 2D 3D TSV
15686942 59 Synthesis and structure-activity relationships of isoxazole carboxamides as growth hormone secretagogue receptor antagonists.EBI Bioorg Med Chem Lett 15: 1201-4 (2005) Abbott Laboratories 2D 3D TSV
15686941 22 Dipyridyl amides: potent metabotropic glutamate subtype 5 (mGlu5) receptor antagonists.EBI Bioorg Med Chem Lett 15: 1197-200 (2005) Merck Research Laboratories 2D 3D TSV
15686936 210 Novel pyrazinone mono-amides as potent and reversible caspase-3 inhibitors.EBI Bioorg Med Chem Lett 15: 1173-80 (2005) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
15686934 20 Synthesis and structure-activity relationships of piperidinylpyrrolopyridine derivatives as potent and selective H1 antagonists.EBI Bioorg Med Chem Lett 15: 1165-7 (2005) Rhône-Poulenc Rorer 2D 3D TSV
15686933 12 De novo design, synthesis, and in vitro activity of LFA-1 antagonists based on a bicyclic[5.5]hydantoin scaffold.EBI Bioorg Med Chem Lett 15: 1161-4 (2005) Cerep 2D 3D TSV
15686932 36 2,3-Diarylthiophenes as selective EP1 receptor antagonists.EBI Bioorg Med Chem Lett 15: 1155-60 (2005) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
15686931 84 Carbonic anhydrase inhibitors. Inhibition of the membrane-bound human and bovine isozymes IV with sulfonamides.EBI Bioorg Med Chem Lett 15: 1149-54 (2005) Universit£ degli Studi di Firenze 2D 3D TSV
15686930 15 Exploring the active site of phenylethanolamine N-methyltransferase with 3-hydroxyethyl- and 3-hydroxypropyl-7-substituted-1,2,3,4-tetrahydroisoquinolines.EBI Bioorg Med Chem Lett 15: 1143-7 (2005) University of Kansas 2D 3D TSV
15686928 4 Synthesis of half-mustard combi-molecules with fluorescence properties: correlation with EGFR status.EBI Bioorg Med Chem Lett 15: 1135-8 (2005) McGill University/Royal Victoria Hospital 2D 3D TSV
15686927 39 Synthesis and monoamine transporter affinity of new 2beta-carbomethoxy-3beta-[4-(substituted thiophenyl)]phenyltropanes: discovery of a selective SERT antagonist with picomolar potency.EBI Bioorg Med Chem Lett 15: 1131-3 (2005) Yale University 2D 3D TSV
15686923 1 Reversal of anticancer drug resistance by COTC based on intracellular glutathione and glyoxalase I.EBI Bioorg Med Chem Lett 15: 1111-4 (2005) Keio University 2D 3D TSV
15686922 16 Human immunodeficiency virus-reverse transcriptase inhibition and hepatitis C virus RNA-dependent RNA polymerase inhibition activities of fullerene derivatives.EBI Bioorg Med Chem Lett 15: 1107-9 (2005) Kyoritsu University of Pharmacy 2D 3D TSV
15686921 55 Structure-based design of potent and selective inhibitors of collagenase-3 (MMP-13).EBI Bioorg Med Chem Lett 15: 1101-6 (2005) Pharmaceutical Research Institute 2D 3D TSV
15686919 12 Synthesis and evaluation of novel peripherally restricted kappa-opioid receptor agonists.EBI Bioorg Med Chem Lett 15: 1091-5 (2005) Adolor Corporation 2D 3D TSV
15686917 21 5-Lipoxygenase inhibition by N-hydroxycarbamates in dual-function compounds.EBI Bioorg Med Chem Lett 15: 1083-5 (2005) UCB Research 2D 3D TSV
15686912 35 Tryptamine-based human beta3-adrenergic receptor agonists. Part 3: improved oral bioavailability via modification of the sulfonamide moiety.EBI Bioorg Med Chem Lett 15: 1061-4 (2005) Dainippon Pharmaceutical Co., Ltd 2D 3D TSV
15686911 10 Syntheses and properties of the major hydroxy metabolites in humans of blonanserin AD-5423, a novel antipsychotic agent.EBI Bioorg Med Chem Lett 15: 1055-9 (2005) Dainippon Pharmaceutical Co., Ltd 2D 3D TSV
15686910 10 Antimitotic activity and reversal of breast cancer resistance protein-mediated drug resistance by stilbenoids from Bletilla striata.EBI Bioorg Med Chem Lett 15: 1051-4 (2005) Hokkaido University 2D 3D TSV
15686906 34 Three-dimensional quantitative structure (3-D QSAR) activity relationship studies on imidazolyl and N-pyrrolyl heptenoates as 3-hydroxy-3-methylglutaryl-CoA reductase (HMGR) inhibitors by comparative molecular similarity indices analysis (CoMSIA).EBI Bioorg Med Chem Lett 15: 1027-32 (2005) National Institute of Pharmaceutical Education and Research (NIPER) 2D 3D TSV
15686900 24 Bis(aminopyrrolidine)-derived ureas (APUs) as potent MCH1 receptor antagonists.EBI Bioorg Med Chem Lett 15: 999-1004 (2005) Neurocrine Biosciences Inc. 2D 3D TSV
15686899 1 Two new irreversible inhibitors of dihydrodipicolinate synthase: diethyl (E,E)-4-oxo-2,5-heptadienedioate and diethyl (E)-4-oxo-2-heptenedioate.EBI Bioorg Med Chem Lett 15: 995-8 (2005) University of Sydney 2D 3D TSV
15686898 8 Molecular docking of the highly hypolipidemic agent alpha-asarone with the catalytic portion of HMG-CoA reductase.EBI Bioorg Med Chem Lett 15: 989-94 (2005) Universidad Nacional Autónoma de México 2D 3D TSV
15686896 19 Synthesis and evaluation of CCR5 antagonists containing modified 4-piperidinyl-2-phenyl-1-(phenylsulfonylamino)-butane.EBI Bioorg Med Chem Lett 15: 977-82 (2005) Merck Research Laboratories 2D 3D TSV
15686895 112 Carbonic anhydrase inhibitors. Inhibition of the human cytosolic isozyme VII with aromatic and heterocyclic sulfonamides.EBI Bioorg Med Chem Lett 15: 971-6 (2005) Universit£ degli Studi di Firenze 2D 3D TSV
15686894 101 Carbonic anhydrase inhibitors. Inhibition of the transmembrane isozyme XII with sulfonamides-a new target for the design of antitumor and antiglaucoma drugs?EBI Bioorg Med Chem Lett 15: 963-9 (2005) Universit£ degli Studi di Firenze 2D 3D TSV
15686893 84 QSAR of estrogen receptor modulators: exploring selectivity requirements for ER(alpha) versus ER(beta) binding of tetrahydroisoquinoline derivatives using E-state and physicochemical parameters.EBI Bioorg Med Chem Lett 15: 957-61 (2005) University of Calcutta 2D 3D TSV
15686892 14 A rate determining step change in the pre-steady state of acetylcholinesterase inhibitions by 1,n-alkane-di-N-butylcarbamates.EBI Bioorg Med Chem Lett 15: 951-5 (2005) National Chung-Hsing University 2D 3D TSV
15686891 45 Functionalization at position 3 of the phenyl ring of the potent mGluR5 noncompetitive antagonists MPEP.EBI Bioorg Med Chem Lett 15: 945-9 (2005) Yale University 2D 3D TSV
15686885 28 Studies towards the next generation of antidepressants. Part 4: derivatives of 4-(5-fluoro-1H-indol-3-yl)cyclohexylamine with affinity for the serotonin transporter and the 5-HT1A receptor.EBI Bioorg Med Chem Lett 15: 911-4 (2005) Wyeth Research 2D 3D TSV
15686884 48 Discovery of 2,3,5-trisubstituted pyridine derivatives as potent Akt1 and Akt2 dual inhibitors.BDB Bioorg Med Chem Lett 15: 905-9 (2005) Merck Research Laboratories 2D 3D TSV
15686879 9 6'-Methylpyrido[3,4-b]norhomotropane: synthesis and outstanding potency in relation to the alpha4beta2 nicotinic receptor pharmacophore model.EBI Bioorg Med Chem Lett 15: 877-81 (2005) University of California 2D 3D TSV
15686877 2 4'C-ethynyl-thymidine acts as a chain terminator during DNA-synthesis catalyzed by HIV-1 reverse transcriptase.EBI Bioorg Med Chem Lett 15: 869-71 (2005) Universit£t Konstanz 2D 3D TSV
15686876 17 Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.BDB Bioorg Med Chem Lett 15: 863-7 (2005) Vernalis (R&D) Ltd 2D 3D TSV
15685167 42 A family of phosphodiesterase inhibitors discovered by cocrystallography and scaffold-based drug design.BDB Nat Biotechnol 23: 201-7 (2005) Plexxikon 2D 3D TSV
15679320 12 Lanostane triterpenoids and triterpene glycosides from the fruit body of Fomitopsis pinicola and their inhibitory activity against COX-1 and COX-2.EBI J Nat Prod 68: 69-73 (2005) Tokushima Bunri University 2D 3D TSV
15679319 40 Potent CYP3A4 inhibitory constituents of Piper cubeba.EBI J Nat Prod 68: 64-8 (2005) Toyama Medical and Pharmaceutical University 2D 3D TSV
15677347 4 Demonstration of a specific site of covalent labeling of the human motilin receptor using a biologically active photolabile motilin analog.BDB J Pharmacol Exp Ther 313: 1101-8 (2005) Mayo Clinic in Scottsdale 2D 3D TSV
15677346 5 Anxiolytic- and antidepressant-like profile of ATC0065 and ATC0175: nonpeptidic and orally active melanin-concentrating hormone receptor 1 antagonists.BDB J Pharmacol Exp Ther 313: 831-9 (2005) Taisho Pharmaceutical Co., Ltd. 2D 3D TSV
15670903 92 Studies of non-nucleoside HIV-1 reverse transcriptase inhibitors. Part 2: synthesis and structure-activity relationships of 2-cyano and 2-hydroxy thiazolidenebenzenesulfonamide derivatives.BDB Bioorg Med Chem 13: 949-61 (2005) Yamanouchi Pharmaceutical Co. Ltd 2D 3D TSV
15665139 3 Vectorial transport of the peptide CCK-8 by double-transfected MDCKII cells stably expressing the organic anion transporter OATP1B3 (OATP8) and the export pump ABCC2.BDB J Pharmacol Exp Ther 313: 549-56 (2005) German Cancer Research Center 2D 3D TSV
15664867 33 Identification of agonists and antagonists of the human melanocortin-4 receptor from piperazinebenzylamines.EBI Bioorg Med Chem Lett 15: 833-7 (2005) Neurocrine Biosciences, Inc. 2D 3D TSV
15664865 37 Novel CDK inhibition profiles of structurally varied 1-aza-9-oxafluorenes.BDB Bioorg Med Chem Lett 15: 823-5 (2005) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
15664864 44 Design of selective phenylglycine amide tissue factor/factor VIIa inhibitors.BDB Bioorg Med Chem Lett 15: 817-22 (2005) F. Hoffmann-La Roche Ltd. 2D 3D TSV
15664861 44 Benzimidazole derivatives as novel nonpeptide luteinizing hormone-releasing hormone (LHRH) antagonists. Part 2: Benzimidazole-5-sulfonamides.EBI Bioorg Med Chem Lett 15: 805-7 (2005) Kyoto 619-0216 2D 3D TSV
15664860 44 Benzimidazole derivatives as novel nonpeptide luteinizing hormone-releasing hormone (LHRH) antagonists. Part 1: Benzimidazole-5-sulfonamides.EBI Bioorg Med Chem Lett 15: 799-803 (2005) Kyoto 619-0216 2D 3D TSV
15664859 16 Structure-based design, synthesis and biochemical testing of novel and potent Smac peptido-mimetics.BDB Bioorg Med Chem Lett 15: 793-7 (2005) University of Michigan 2D 3D TSV
15664858 36 N-Arylalkylpiperidine urea derivatives as CC chemokine receptor-3 (CCR3) antagonists.EBI Bioorg Med Chem Lett 15: 787-91 (2005) Pharmaceutical Research Institute 2D 3D TSV
15664857 24 Triaryl bis-sulfones as a new class of cannabinoid CB2 receptor inhibitors: identification of a lead and initial SAR studies.EBI Bioorg Med Chem Lett 15: 783-6 (2005) Schering-Plough Research Institute 2D 3D TSV
15664855 19 Non-peptidic small molecule inhibitors of XIAP.BDB Bioorg Med Chem Lett 15: 771-5 (2005) Abbott Laboratories 2D 3D TSV
15664853 66 Allosteric Akt (PKB) inhibitors: discovery and SAR of isozyme selective inhibitors.BDB Bioorg Med Chem Lett 15: 761-4 (2005) Merck Research Laboratories 2D 3D TSV
15664851 14 Quinazolinethiones and quinazolinediones, novel inhibitors of inosine monophosphate dehydrogenase: synthesis and initial structure-activity relationships.EBI Bioorg Med Chem Lett 15: 751-4 (2005) Celltech R and D 2D 3D TSV
15664850 7 Novel 3-aminochromans as potential pharmacological tools for the serotonin 5-HT(7) receptor.EBI Bioorg Med Chem Lett 15: 747-50 (2005) Uppsala University 2D 3D TSV
15664846 73 Active site directed inhibitors of replication-specific bacterial DNA polymerases.EBI Bioorg Med Chem Lett 15: 729-32 (2005) GLSynthesis Inc. 2D 3D TSV
15664844 27 4-(2-Pyridyl)piperazine-1-benzimidazoles as potent TRPV1 antagonists.EBI Bioorg Med Chem Lett 15: 719-23 (2005) Purdue Pharma LP 2D 3D TSV
15664843 14 Estrogen receptor ligands. Part 11: Synthesis and activity of isochromans and isothiochromans.EBI Bioorg Med Chem Lett 15: 715-8 (2005) Merck Research Laboratories 2D 3D TSV
15664839 11 A convenient one-pot synthesis of asymmetric 1,3,5-triazine-2,4,6-triones and its application towards a novel class of gonadotropin-releasing hormone receptor antagonists.EBI Bioorg Med Chem Lett 15: 693-8 (2005) Neurocrine Biosciences, Inc. 2D 3D TSV
15664838 54 Novel isoindoline compounds for potent and selective inhibition of prolyl dipeptidase DPP8.BDB Bioorg Med Chem Lett 15: 687-91 (2005) National Health Research Institutes 2D 3D TSV
15664835 38 Parallel synthesis of pteridine derivatives as potent inhibitors for hepatitis C virus NS5B RNA-dependent RNA polymerase.EBI Bioorg Med Chem Lett 15: 675-8 (2005) Valeant Pharmaceuticals International 2D 3D TSV
15664834 31 Pyrrolidinohydroquinazolines--a novel class of CCR3 modulators.EBI Bioorg Med Chem Lett 15: 669-73 (2005) Boehringer Ingelheim Pharma GmbH and Co. KG 2D 3D TSV
15664832 45 Pharmacophore identification of alpha(1A)-adrenoceptor antagonists.EBI Bioorg Med Chem Lett 15: 657-64 (2005) China Pharmaceutical University 2D 3D TSV
15664830 64 Synthesis and SAR of 5,6-diarylpyridines as human CB1 inverse agonists.EBI Bioorg Med Chem Lett 15: 645-51 (2005) Merck Research Laboratories 2D 3D TSV
15664828 40 Inhibitors of type I MetAPs containing pyridine-2-carboxylic acid thiazol-2-ylamide. Part 1: SAR studies on the determination of the key scaffold.EBI Bioorg Med Chem Lett 15: 635-8 (2005) Chinese Academy of Sciences 2D 3D TSV
15664827 18 Biarylcarboxybenzamide derivatives as potent vanilloid receptor (VR1) antagonistic ligands.EBI Bioorg Med Chem Lett 15: 631-4 (2005) Seoul National University 2D 3D TSV
15664822 101 The discovery of a selective, high affinity A(2B) adenosine receptor antagonist for the potential treatment of asthma.EBI Bioorg Med Chem Lett 15: 609-12 (2005) CV Therapeutics, Inc. 2D 3D TSV
15664820 1 Studies on the structure-activity relationship of 2',6'-dimethyl-l-tyrosine (Dmt) derivatives: bioactivity profile of H-Dmt-NH-CH(3).EBI Bioorg Med Chem Lett 15: 599-602 (2005) Kobe Gakuin University 2D 3D TSV
15664818 81 Synthesis and SAR studies of 3-phenoxypropyl piperidine analogues as ORL1 (NOP) receptor agonists.EBI Bioorg Med Chem Lett 15: 589-93 (2005) Organon Laboratories Ltd 2D 3D TSV
15664817 86 Generation of a new class of hNK(2) receptor ligands using the 'fragment approach'.EBI Bioorg Med Chem Lett 15: 585-8 (2005) Menarini Ricerche S.p.A. 2D 3D TSV
15664816 65 Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with bis-sulfamates.EBI Bioorg Med Chem Lett 15: 579-84 (2005) Universit£ degli Studi di Firenze 2D 3D TSV
15664815 45 Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates.EBI Bioorg Med Chem Lett 15: 573-8 (2005) Università degli Studi di Firenze 2D 3D TSV
15664814 55 Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V, and IX with anions isosteric and isoelectronic with sulfate, nitrate, and carbonate.EBI Bioorg Med Chem Lett 15: 567-71 (2005) Universit£ degli Studi di Firenze 2D 3D TSV
15664806 104 Structure-activity relationship studies on ortho-substituted cinnamic acids, a new class of selective EP(3) antagonists.EBI Bioorg Med Chem Lett 15: 527-30 (2005) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
15664805 15 Synthesis and acetylcholinesterase inhibition of derivatives of huperzine B.EBI Bioorg Med Chem Lett 15: 523-6 (2005) Chinese Academy of Sciences 2D 3D TSV
15664803 46 Synthesis of alkyne derivatives of a novel triazolopyrazine as A(2A) adenosine receptor antagonists.EBI Bioorg Med Chem Lett 15: 511-5 (2005) Biogen Idec Inc. 2D 3D TSV
15664518 4 Enhanced ligand affinity for receptors in which components of the binding site are independently mobile.BDB Chem Biol 12: 89-97 (2005) University of Sheffield 2D 3D TSV
15664516 21 Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases.BDB Chem Biol 12: 65-76 (2005) University of Dundee 2D 3D TSV
15662962 29 Synthesis and biological evaluation of thienopyrrolizines, a new family of CDK/GSK-3 inhibitors.BDB J Enzyme Inhib Med Chem 19: 585-93 (2004) Université de Caen Basse Normandie 2D 3D TSV
15658871 28 Development of potent mu-opioid receptor ligands using unique tyrosine analogues of endomorphin-2.EBI J Med Chem 48: 586-92 (2005) Kobe Gakuin University 2D 3D TSV
15658870 104 Selective benzopyranone and pyrimido[2,1-a]isoquinolin-4-one inhibitors of DNA-dependent protein kinase: synthesis, structure-activity studies, and radiosensitization of a human tumor cell line in vitro.EBI J Med Chem 48: 569-85 (2005) The University 2D 3D TSV
15658869 8 Further naphthylcombretastatins. An investigation on the role of the naphthalene moiety.EBI J Med Chem 48: 556-68 (2005) Universidad de Salamanca 2D 3D TSV
15658868 5 Sulfonamide drugs binding to the colchicine site of tubulin: thermodynamic analysis of the drug-tubulin interactions by isothermal titration calorimetry.EBI J Med Chem 48: 547-55 (2005) Institute 2D 3D TSV
15658865 240 Somatostatin receptor 1 selective analogues: 3. Dicyclic peptides.EBI J Med Chem 48: 515-22 (2005) Salk Institute 2D 3D TSV
15658864 225 Somatostatin receptor 1 selective analogues: 2. N(alpha)-Methylated scan.EBI J Med Chem 48: 507-14 (2005) Salk Institute 2D 3D TSV
15658863 19 Identification of 4-substituted 1,2,3-triazoles as novel oxazolidinone antibacterial agents with reduced activity against monoamine oxidase A.EBI J Med Chem 48: 499-506 (2005) AstraZeneca Discovery 2D 3D TSV
15658862 30 Endothelin-converting enzyme-1 inhibition and growth of human glioblastoma cells.EBI J Med Chem 48: 483-98 (2005) University Institute of Pathology 2D 3D TSV
15658860 14 Investigations on the effects of basic side chains on the hormonal profile of (4R,5S)/(4S,5R)-4,5-bis(4-hydroxyphenyl)-2-imidazolines.EBI J Med Chem 48: 466-74 (2005) Free University of Berlin 2D 3D TSV
15658859 47 Quantitative structure-activity relationship (5D-QSAR) study of combretastatin-like analogues as inhibitors of tubulin assembly.EBI J Med Chem 48: 457-65 (2005) University of Salford 2D 3D TSV
15658857 96 Quantitative structure-activity relationship analysis of inhibitors of the nicotine metabolizing CYP2A6 enzyme.EBI J Med Chem 48: 440-9 (2005) University of Kuopio 2D 3D TSV
15658855 19 Identification of novel p38alpha MAP kinase inhibitors using fragment-based lead generation.BDB J Med Chem 48: 414-26 (2005) Astex 2D 3D TSV
15658853 31 Aminoimidazolylmethyluracil analogues as potent inhibitors of thymidine phosphorylase and their bioreductive nitroimidazolyl prodrugs.EBI J Med Chem 48: 392-402 (2005) University of Manchester 2D 3D TSV
15658852 8 Stereoselective synthesis of [L-Arg-L/D-3-(2-naphthyl)alanine]-type (E)-alkene dipeptide isosteres and its application to the synthesis and biological evaluation of pseudopeptide analogues of the CXCR4 antagonist FC131.EBI J Med Chem 48: 380-91 (2005) Kyoto University 2D 3D TSV
15658851 42 Selective estrogen receptor modulators with conformationally restricted side chains. Synthesis and structure-activity relationship of ERalpha-selective tetrahydroisoquinoline ligands.BDB J Med Chem 48: 364-79 (2005) Novartis Pharmaceuticals 2D 3D TSV
15658850 22 Rational approach to discover multipotent anti-Alzheimer drugs.BDB J Med Chem 48: 360-3 (2005) University of Bologna 2D 3D TSV
15658848 103 Discovery of 5-arylsulfonamido-3-(pyrrolidin-2-ylmethyl)-1H-indole derivatives as potent, selective 5-HT6 receptor agonists and antagonists.EBI J Med Chem 48: 353-6 (2005) Wyeth Research 2D 3D TSV
15658846 13 Studies toward the pharmacophore of salvinorin A, a potent kappa opioid receptor agonist.EBI J Med Chem 48: 345-8 (2005) The University of Melbourne 2D 3D TSV
15657054 5 Pim-1 ligand-bound structures reveal the mechanism of serine/threonine kinase inhibition by LY294002.BDB J Biol Chem 280: 13728-34 (2005) Vertex Pharmaceuticals 2D 3D TSV
15655528 75 The selectivity of beta-adrenoceptor antagonists at the human beta1, beta2 and beta3 adrenoceptors.BDB Br J Pharmacol 144: 317-22 (2005) University of Nottingham 2D 3D TSV
15653343 20 Cyclic sulfamide HIV-1 protease inhibitors, with sidechains spanning from P2/P2' to P1/P1'.BDB Bioorg Med Chem 13: 755-64 (2005) Uppsala University 2D 3D TSV
15640376 6 Transport of the dopamine D2 agonist pramipexole by rat organic cation transporters OCT1 and OCT2 in kidney.EBI Drug Metab Dispos 33: 495-9 (2005) Tokyo University of Science 2D 3D TSV
15634028 5 Retro hydrazino-azapeptoids as peptidomimetics of proteasome inhibitors.EBI J Med Chem 48: 330-4 (2005) Université Rennes 1 2D 3D TSV
15634027 20 Inhibition of nucleoside transport proteins by C8-alkylamine-substituted purines.EBI J Med Chem 48: 321-9 (2005) Leiden University 2D 3D TSV
15634025 29 2-(4-alkylpiperazin-1-yl)quinolines as a new class of imidazole-free histamine H3 receptor antagonists.EBI J Med Chem 48: 306-11 (2005) Novo Nordisk A/S 2D 3D TSV
15634024 70 Structure-activity relationships and effects on neuroactive steroid synthesis in a series of 2-phenylimidazo[1,2-a]pyridineacetamide peripheral benzodiazepine receptors ligands.EBI J Med Chem 48: 292-305 (2005) Università degli Studi di Bari 2D 3D TSV
15634023 50 Synthesis and biological properties of new stilbene derivatives of resveratrol as new selective aryl hydrocarbon modulators.BDB J Med Chem 48: 287-91 (2005) Institut Claudius Regaud 2D 3D TSV
15634022 36 Design and NMR characterization of active analogues of compstatin containing non-natural amino acids.EBI J Med Chem 48: 274-86 (2005) University of California at Riverside 2D 3D TSV
15634021 113 Synthesis and structure-activity relationships of 1-aralkyl-4-benzylpiperidine and 1-aralkyl-4-benzylpiperazine derivatives as potent sigma ligands.EBI J Med Chem 48: 266-73 (2005) Universit£ di Modena and Reggio Emilia 2D 3D TSV
15634020 110 Discovery of corticotropin releasing factor 2 receptor selective sauvagine analogues for treatment of skeletal muscle atrophy.EBI J Med Chem 48: 262-5 (2005) Procter & Gamble Pharmaceuticals 2D 3D TSV
15634016 232 5-substituted, 6-substituted, and unsubstituted 3-heteroaromatic pyridine analogues of nicotine as selective inhibitors of cytochrome P-450 2A6.EBI J Med Chem 48: 224-39 (2005) Human BioMolecular Research Institute 2D 3D TSV
15634010 10 Design and crystal structures of protein kinase B-selective inhibitors in complex with protein kinase A and mutants.BDB J Med Chem 48: 163-70 (2005) Max-Planck-Institut fuer Biochemie 2D 3D TSV
15634009 123 Combined target-based and ligand-based drug design approach as a tool to define a novel 3D-pharmacophore model of human A3 adenosine receptor antagonists: pyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidine derivatives as a key study.EBI J Med Chem 48: 152-62 (2005) Università di Padova 2D 3D TSV
15634008 32 (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: a potent, orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.BDB J Med Chem 48: 141-51 (2005) Merck Research Laboratories 2D 3D TSV
15634007 17 3-hydroxymethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinoline inhibitors of phenylethanolamine N-methyltransferase that display remarkable potency and selectivity.EBI J Med Chem 48: 134-40 (2005) University of Kansas 2D 3D TSV
15634005 108 Beta-diketo acid pharmacophore hypothesis. 1. Discovery of a novel class of HIV-1 integrase inhibitors.EBI J Med Chem 48: 111-20 (2005) University of Southern California 2D 3D TSV
15634004 20 Potent bombesin-like peptides for GRP-receptor targeting of tumors with 99mTc: a preclinical study.EBI J Med Chem 48: 100-10 (2005) National Center for Scientific Research Demokritos 2D 3D TSV
15634002 126 Discovery of potent, orally available vanilloid receptor-1 antagonists. Structure-activity relationship of N-aryl cinnamides.EBI J Med Chem 48: 71-90 (2005) Amgen Inc. 2D 3D TSV
15634000 57 4-(2-[2-(2(R)-methylpyrrolidin-1-yl)ethyl]benzofuran-5-yl)benzonitrile and related 2-aminoethylbenzofuran H3 receptor antagonists potently enhance cognition and attention.EBI J Med Chem 48: 38-55 (2005) Abbott Laboratories 2D 3D TSV
15633998 18 Design, synthesis, and biological evaluation of prazosin-related derivatives as multipotent compounds.EBI J Med Chem 48: 28-31 (2005) University of Bologna 2D 3D TSV
15633997 18 Propidium-based polyamine ligands as potent inhibitors of acetylcholinesterase and acetylcholinesterase-induced amyloid-beta aggregation.EBI J Med Chem 48: 24-7 (2005) University of Bologna 2D 3D TSV
15633995 66 Control of hepatitis C: a medicinal chemistry perspective.EBI J Med Chem 48: 1-20 (2005) University of Wollongong 2D 3D TSV
15632123 9 A selective, slow binding inhibitor of factor VIIa binds to a nonstandard active site conformation and attenuates thrombus formation in vivo.BDB J Biol Chem 280: 9160-9 (2005) Genentech 2D 3D TSV
15626721 8 In vitro and in vivo pharmacological characterization of BM-613 [N-n-pentyl-N'-[2-(4'-methylphenylamino)-5-nitrobenzenesulfonyl]urea], a novel dual thromboxane synthase inhibitor and thromboxane receptor antagonist.BDB J Pharmacol Exp Ther 313: 293-301 (2005) University of Li&eagrove;ge 2D 3D TSV
15620270 2 Meroterpenoid MAPKAP (MK2) inhibitors isolated from the indonesian marine sponge Acanthodendrilla sp.EBI J Nat Prod 67: 2127-9 (2004) University of British Columbia 2D 3D TSV
15620258 2 A phthalide with in vitro growth inhibitory activity from an oidiodendron strain.EBI J Nat Prod 67: 2086-9 (2004) Cetek Corporation 2D 3D TSV
15616150 14 Differential interaction of 3-hydroxy-3-methylglutaryl-coa reductase inhibitors with ABCB1, ABCC2, and OATP1B1.EBI Drug Metab Dispos 33: 537-46 (2005) Pfizer Inc. 2D 3D TSV
15615544 6 Synthesis and in vitro antifolate activity of rotationally restricted aminopterin and methotrexate analogues.EBI J Med Chem 47: 6958-63 (2004) Harvard Medical School 2D 3D TSV
15615543 56 Bioisosteric modifications of 2-arylureidobenzoic acids: selective noncompetitive antagonists for the homomeric kainate receptor subtype GluR5.EBI J Med Chem 47: 6948-57 (2004) The Danish University of Pharmaceutical Sciences 2D 3D TSV
15615541 2 Design, synthesis, and biological activity of novel, potent, and selective (benzoylaminomethyl)thiophene sulfonamide inhibitors of c-Jun-N-terminal kinase.EBI J Med Chem 47: 6921-34 (2004) Serono Pharmaceutical Research Institute 2D 3D TSV
15615538 28 Synthesis of classical, three-carbon-bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogues as antifolates.EBI J Med Chem 47: 6893-901 (2004) Duquesne University 2D 3D TSV
15615535 14 A screening library for peptide activated G-protein coupled receptors. 1. The test set.EBI J Med Chem 47: 6864-74 (2004) Neurocrine Biosciences 2D 3D TSV
15615534 16 Potent, selective and low-calcemic inhibitors of CYP24 hydroxylase: 24-sulfoximine analogues of the hormone 1alpha,25-dihydroxyvitamin D(3).EBI J Med Chem 47: 6854-63 (2004) The Johns Hopkins University 2D 3D TSV
15615531 30 4-{(2R)-[3-Aminopropionylamido]-3-(2,4-dichlorophenyl)propionyl}-1-{2-[(2-thienyl)ethylaminomethyl]phenyl}piperazine as a potent and selective melanocortin-4 receptor antagonist--design, synthesis, and characterization.EBI J Med Chem 47: 6821-30 (2004) Neurocrine Biosciences, Inc. 2D 3D TSV
15615528 50 Design, synthesis, and 3D QSAR of novel potent and selective aromatase inhibitors.BDB J Med Chem 47: 6792-803 (2004) University of Bari 2D 3D TSV
15615526 16 Charge and substituent effects on affinity and metabolism of benzbromarone-based CYP2C19 inhibitors.EBI J Med Chem 47: 6768-76 (2004) Washington State University 2D 3D TSV
15615524 58 Design, synthesis, and pharmacological evaluation of pyridinic analogues of nimesulide as cyclooxygenase-2 selective inhibitors.EBI J Med Chem 47: 6749-59 (2004) Université de Liège 2D 3D TSV
15615522 17 Benzoyl ring halogenated classical 2-amino-6-methyl-3,4-dihydro-4-oxo-5-substituted thiobenzoyl-7H-pyrrolo[2,3-d]pyrimidine antifolates as inhibitors of thymidylate synthase and as antitumor agents.EBI J Med Chem 47: 6730-9 (2004) Duquesne University 2D 3D TSV
15615521 28 Novel retinoic acid metabolism blocking agents endowed with multiple biological activities are efficient growth inhibitors of human breast and prostate cancer cells in vitro and a human breast tumor xenograft in nude mice.EBI J Med Chem 47: 6716-29 (2004) University of Maryland 2D 3D TSV
15615519 42 Stereochemical studies of the monocyclic agouti-related protein (103-122) Arg-Phe-Phe residues: conversion of a melanocortin-4 receptor antagonist into an agonist and results in the discovery of a potent and selective melanocortin-1 agonist.EBI J Med Chem 47: 6702-10 (2004) University of Florida 2D 3D TSV
15615517 17 Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitors.EBI J Med Chem 47: 6681-90 (2004) The Scripps Research Institute 2D 3D TSV
15615514 11 Identification of 7-phenylaminothieno- [3,2-b]pyridine-6-carbonitriles as a new class of Src kinase inhibitors.BDB J Med Chem 47: 6666-8 (2004) Wyeth Research 2D 3D TSV
15615513 129 A rational utilization of high-throughput screening affords selective, orally bioavailable 1-benzyl-3-carboxyazetidine sphingosine-1-phosphate-1 receptor agonists.EBI J Med Chem 47: 6662-5 (2004) Merck Research Laboratories 2D 3D TSV
15615512 21 Discovery of N-(2-chloro-6-methyl- phenyl)-2-(6-(4-(2-hydroxyethyl)- piperazin-1-yl)-2-methylpyrimidin-4- ylamino)thiazole-5-carboxamide (BMS-354825), a dual Src/Abl kinase inhibitor with potent antitumor activity in preclinical assays.EBI J Med Chem 47: 6658-61 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15615511 8 Discovery of tetralin carboxamide growth hormone secretagogue receptor antagonists via scaffold manipulation.EBI J Med Chem 47: 6655-7 (2004) Abbott Laboratories 2D 3D TSV
15608078 35 Pharmacological properties of ABT-239 [4-(2-{2-[(2R)-2-Methylpyrrolidinyl]ethyl}-benzofuran-5-yl)benzonitrile]: I. Potent and selective histamine H3 receptor antagonist with drug-like properties.BDB J Pharmacol Exp Ther 313: 165-75 (2005) Abbott Laboratories 2D 3D TSV
15603973 88 5-Chloroindoloyl glycine amide inhibitors of glycogen phosphorylase: synthesis, in vitro, in vivo, and X-ray crystallographic characterization.EBI Bioorg Med Chem Lett 15: 459-65 (2004) Pfizer Global Research and Development 2D 3D TSV
15603971 63 Potent Kv1.3 inhibitors from correolide-modification of the C18 position.EBI Bioorg Med Chem Lett 15: 447-51 (2004) Merck Research Laboratories 2D 3D TSV
15603969 40 Design and synthesis of (E)-1,1,2-triarylethenes: novel inhibitors of the cyclooxygenase-2 (COX-2) isozyme.EBI Bioorg Med Chem Lett 15: 439-42 (2004) University of Alberta 2D 3D TSV
15603967 49 Optimization of CRF1R binding affinity of 2-(2,4,6-trichlorophenyl)-4-trifluoromethyl-5-aminomethylthiazoles through rapid and selective parallel synthesis.EBI Bioorg Med Chem Lett 15: 431-4 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15603960 84 Identification of a novel class of androgen receptor antagonists based on the bicyclic-1H-isoindole-1,3(2H)-dione nucleus.EBI Bioorg Med Chem Lett 15: 389-93 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15603959 12 Saucerneol B derivatives as human acyl-CoA: cholesterol acyltransferase inhibitors.EBI Bioorg Med Chem Lett 15: 385-8 (2004) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
15603958 77 N1-arylsulfonyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives are potent and selective 5-HT6 receptor antagonists.EBI Bioorg Med Chem Lett 15: 379-83 (2004) Wyeth Research 2D 3D TSV
15603957 62 A novel series of potent gamma-secretase inhibitors based on a benzobicyclo[4.2.1]nonane core.EBI Bioorg Med Chem Lett 15: 373-8 (2004) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
15603956 63 Carbonic anhydrase inhibitors. Novel sulfanilamide/acetazolamide derivatives obtained by the tail approach and their interaction with the cytosolic isozymes I and II, and the tumor-associated isozyme IX.EBI Bioorg Med Chem Lett 15: 367-72 (2004) Harran University 2D 3D TSV
15603955 10 (S,E)-N-[1-(3-heteroarylphenyl)ethyl]-3-(2-fluorophenyl)acrylamides: synthesis and KCNQ2 potassium channel opener activity.EBI Bioorg Med Chem Lett 15: 363-6 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15603954 37 Benzoyl 2-methyl indoles as selective PPARgamma modulators.EBI Bioorg Med Chem Lett 15: 357-62 (2004) Merck Research Laboratories 2D 3D TSV
15603953 13 Isoterreulactone A, a novel meroterpenoid with anti-acetylcholinesterase activity produced by Aspergillus terreus.EBI Bioorg Med Chem Lett 15: 353-6 (2004) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
15603952 3 (2S,1'S,2'R,3'R)-2(2'-Carboxy-3'-hydroxymethylcyclopropyl)glycine-[3H], a potent and selective radioligand for labeling group 2 and 3 metabotropic glutamate receptors.EBI Bioorg Med Chem Lett 15: 349-51 (2004) Lilly Research Laboratories 2D 3D TSV
15603946 67 QSAR studies on structurally similar 2-(4-methanesulfonylphenyl)pyran-4-ones as selective COX-2 inhibitors: a Hansch approach.EBI Bioorg Med Chem Lett 15: 313-20 (2004) Devi Ahilya Vishwavidyalaya 2D 3D TSV
15603940 12 Synthesis and biological activity of 3,4-dihydroquinazolines for selective T-type Ca2+ channel blockers.EBI Bioorg Med Chem Lett 15: 283-6 (2004) Korea Institute of Science& Technology 2D 3D TSV
15603939 56 The identification and optimization of a N-hydroxy urea series of flap endonuclease 1 inhibitors.EBI Bioorg Med Chem Lett 15: 277-81 (2004) Athersys, Inc. 2D 3D TSV
15603938 54 Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists.EBI Bioorg Med Chem Lett 15: 271-6 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15603933 28 Discovery of a novel, potent and selective human beta3-adrenergic receptor agonist.EBI Bioorg Med Chem Lett 15: 251-4 (2004) Fujisawa Pharmaceutical Co. Ltd 2D 3D TSV
15598563 20 Asymmetric synthesis and biological evaluation of the enantiomeric isomers of the immunosuppressive FTY720-phosphate.BDB Bioorg Med Chem 13: 425-32 (2005) Mitsubishi Pharma Corporation 2D 3D TSV
15590769 16 Inverse agonism and neutral antagonism at wild-type and constitutively active mutant delta opioid receptors.BDB J Pharmacol Exp Ther 313: 410-21 (2005) I.G.B.M.C. 2D 3D TSV
15588100 68 Effects of substitution on the pyrrole N atom in derivatives of tetrahydronaltrindole, tetrahydrooxymorphindole, and a related 4,5-epoxyphenylpyrrolomorphinan.EBI J Med Chem 47: 6645-8 (2004) University of Bath 2D 3D TSV
15588097 95 Structure-affinity relationship study on N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-aryl-1-piperazinealkylamides, a new class of 5-hydroxytryptamine7 receptor agents.EBI J Med Chem 47: 6616-24 (2004) Università degli Studi di Bari 2D 3D TSV
15588096 56 Identification of novel parasitic cysteine protease inhibitors using virtual screening. 1. The ChemBridge database.EBI J Med Chem 47: 6609-15 (2004) University of Mississippi 2D 3D TSV
15588095 1 Discovery of pyrano[3,4-b]indoles as potent and selective HCV NS5B polymerase inhibitors.EBI J Med Chem 47: 6603-8 (2004) Wyeth Research 2D 3D TSV
15588094 1 Design, synthesis and evaluation of a PLG tripeptidomimetic based on a pyridine scaffold.EBI J Med Chem 47: 6595-602 (2004) G£teborg University 2D 3D TSV
15588093 3 A systematic approach to the optimization of substrate-based inhibitors of the hepatitis C virus NS3 protease: discovery of potent and specific tripeptide inhibitors.EBI J Med Chem 47: 6584-94 (2004) Boehringer Ingelheim (Canada) Ltd. 2D 3D TSV
15588091 25 Structure-activity relationship of 6-methylidene penems bearing tricyclic heterocycles as broad-spectrum beta-lactamase inhibitors: crystallographic structures show unexpected binding of 1,4-thiazepine intermediates.EBI J Med Chem 47: 6556-68 (2004) Wyeth Research 2D 3D TSV
15588089 10 Highly selective fluorescent analogue of the potent delta-opioid receptor antagonist Dmt-Tic.EBI J Med Chem 47: 6541-6 (2004) University of Cagliary 2D 3D TSV
15588088 58 2,4,6-trisubstituted pyrimidines as a new class of selective adenosine A1 receptor antagonists.EBI J Med Chem 47: 6529-40 (2004) Leiden/Amsterdam Center for Drug Research 2D 3D TSV
15588086 12 Antiestrogen binding site and estrogen receptor mediate uptake and distribution of 4-hydroxytamoxifen-targeted doxorubicin-formaldehyde conjugate in breast cancer cells.EBI J Med Chem 47: 6509-18 (2004) University of Colorado 2D 3D TSV
15588084 4 Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 3. Effect of replacing the inner polymethylene chain with cyclic moieties.EBI J Med Chem 47: 6490-8 (2004) University of Bologna 2D 3D TSV
15588083 66 Stereochemical analysis of (hydroxyethyl)urea peptidomimetic inhibitors of gamma-secretase.EBI J Med Chem 47: 6485-9 (2004) Harvard Medical School 2D 3D TSV
15588081 30 Catecholic flavonoids acting as telomerase inhibitors.EBI J Med Chem 47: 6466-75 (2004) BU-Nerviano Medical Sciences 2D 3D TSV
15588079 1 Design and synthesis of a potent and selective peptidomimetic inhibitor of caspase-3.EBI J Med Chem 47: 6455-8 (2004) University of Illinois at Chicago 2D 3D TSV
15588077 15 Structure-based design of potent and selective cell-permeable inhibitors of human beta-secretase (BACE-1).BDB J Med Chem 47: 6447-50 (2004) Merck Research Laboratories 2D 3D TSV
15588076 6 The design and enzyme-bound crystal structure of indoline based peptidomimetic inhibitors of hepatitis C virus NS3 protease.EBI J Med Chem 47: 6443-6 (2004) MRL Rome 2D 3D TSV
15588075 33 2,3-diaminopyridine bradykinin B1 receptor antagonists.EBI J Med Chem 47: 6439-42 (2004) Merck Research Laboratories 2D 3D TSV
15588074 43 Synthesis and activity of substituted 4-(indazol-3-yl)phenols as pathway-selective estrogen receptor ligands useful in the treatment of rheumatoid arthritis.EBI J Med Chem 47: 6435-8 (2004) Wyeth Research 2D 3D TSV
15582469 16 Identification and characterization of nonsubstrate based inhibitors of the essential dengue and West Nile virus proteases.BDB Bioorg Med Chem 13: 257-64 (2005) University of Alabama at Birmingham 2D 3D TSV
15582453 3 Synthesis and aminoacyl-tRNA synthetase inhibitory activity of aspartyl adenylate analogs.BDB Bioorg Med Chem 13: 69-75 (2005) CREFSIP 2D 3D TSV
15582452 10 The discovery and preparation of disubstituted novel amino-aryl-piperidine-based renin inhibitors.BDB Bioorg Med Chem 13: 59-68 (2005) Pfizer 2D 3D TSV
15582446 7 Antitumor agents. Part 236: Synthesis of water-soluble colchicine derivatives.EBI Bioorg Med Chem Lett 15: 235-8 (2004) University of North Carolina 2D 3D TSV
15582442 36 2,3-Diphenylpropionic acids as potent VLA-4 antagonists.EBI Bioorg Med Chem Lett 15: 217-20 (2004) Kaken Pharmaceutical Co. Ltd 2D 3D TSV
15582441 5 Design and synthesis of highly active Alzheimer's beta-secretase (BACE1) inhibitors, KMI-420 and KMI-429, with enhanced chemical stability.EBI Bioorg Med Chem Lett 15: 211-5 (2004) Kyoto Pharmaceutical University 2D 3D TSV
15582439 84 Amino-substituted heterocycles as isosteres of trans-cinnamides: design and synthesis of heterocyclic biaryl sulfides as potent antagonists of LFA-1/ICAM-1 binding.EBI Bioorg Med Chem Lett 15: 195-201 (2004) Abbott Laboratories 2D 3D TSV
15582437 2 Discovery of novel tetrahydroisoquinoline derivatives as potent and selective factor Xa inhibitors.EBI Bioorg Med Chem Lett 15: 185-9 (2004) Central Pharmaceutical Research Institute 2D 3D TSV
15582436 7 N-hydroxy-2-(naphthalene-2-ylsulfanyl)-acetamide, a novel hydroxamic acid-based inhibitor of aminopeptidase N and its anti-angiogenic activity.EBI Bioorg Med Chem Lett 15: 181-3 (2004) Sejong University 2D 3D TSV
15582434 37 Discovery of (2S)-N-[(1R)-2-[4-cyclohexyl-4-[[(1,1-dimethylethyl)amino]carbonyl]-1-piperidinyl]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]-4-methyl-2-piperazinecarboxamide (MB243), a potent and selective melanocortin subtype-4 receptor agonist.EBI Bioorg Med Chem Lett 15: 171-5 (2004) Merck Research Laboratories 2D 3D TSV
15582431 1 Synthesis of digalactosyl diacylglycerols and their structure-inhibitory activity on human lanosterol synthase.EBI Bioorg Med Chem Lett 15: 159-62 (2004) National Institute of Health Sciences 2D 3D TSV
15582430 123 Design and synthesis of o-trifluoromethylbiphenyl substituted 2-amino-nicotinonitriles as inhibitors of farnesyltransferase.EBI Bioorg Med Chem Lett 15: 153-8 (2004) Abbott Laboratories 2D 3D TSV
15582428 47 Synthesis and activity of 8-substituted benzo[c]quinolizin-3-ones as dual inhibitors of human 5alpha-reductases 1 and 2.EBI Bioorg Med Chem Lett 15: 145-8 (2004) Polo Scientifico Università di Firenze 2D 3D TSV
15582426 3 New 2-bromomethyl-8-substituted-benzo[c]chromen-6-ones. Synthesis and biological properties.EBI Bioorg Med Chem Lett 15: 135-8 (2004) INSERM 2D 3D TSV
15582424 6 Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.EBI Bioorg Med Chem Lett 15: 125-8 (2004) Abbott Laboratories 2D 3D TSV
15582423 30 Discovery of potent thiosemicarbazone inhibitors of rhodesain and cruzain.EBI Bioorg Med Chem Lett 15: 121-3 (2004) University of California-San Francisco 2D 3D TSV
15582422 43 Aminothiazole inhibitors of HCV RNA polymerase.EBI Bioorg Med Chem Lett 15: 115-9 (2004) NeoGenesis Pharmaceuticals Inc. 2D 3D TSV
15582421 54 Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers.EBI Bioorg Med Chem Lett 15: 107-13 (2004) Merck Research Laboratories 2D 3D TSV
15582420 37 Heterocyclic sulfoxide and sulfone inhibitors of fatty acid amide hydrolase.EBI Bioorg Med Chem Lett 15: 103-6 (2004) The Scripps Research Institute 2D 3D TSV
15582418 103 Naphthamidine urokinase plasminogen activator inhibitors with improved pharmacokinetic properties.EBI Bioorg Med Chem Lett 15: 93-8 (2004) Abbott Laboratories 2D 3D TSV
15582416 20 Synthesis and biological evaluation of novel steroidal pyrazoles as substrates for bile acid transporters.EBI Bioorg Med Chem Lett 15: 85-7 (2004) XenoPort Inc. 2D 3D TSV
15582415 17 Optimization of pyrrolidinone based HIV protease inhibitors.BDB Bioorg Med Chem Lett 15: 81-4 (2005) GlaxoSmithKline 2D 3D TSV
15582410 2 2,3-Ethylene- and 2,3-trimethylene-bridged analogues of the group III metabotropic glutamate receptor ligand 2-amino-4-phosphonobutanoic acid.EBI Bioorg Med Chem Lett 15: 57-60 (2004) University of Minnesota 2D 3D TSV
15582409 46 2-Alkoxydihydrocinnamates as PPAR agonists. Activity modulation by the incorporation of phenoxy substituents.EBI Bioorg Med Chem Lett 15: 51-5 (2004) Lilly Research Laboratories 2D 3D TSV
15582407 20 Identified a morpholinyl-4-piperidinylacetic acid derivative as a potent oral active VLA-4 antagonist.EBI Bioorg Med Chem Lett 15: 41-5 (2004) Daiichi Pharmaceutical Co. Ltd 2D 3D TSV
15582405 64 5-Amidinobenzo[b]thiophenes as dual inhibitors of factors IXa and Xa.BDB Bioorg Med Chem Lett 15: 29-35 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15582404 68 Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas.EBI Bioorg Med Chem Lett 15: 25-8 (2004) AstraZeneca 2D 3D TSV
15582402 9 Structure-based design of cycloamide-urethane-derived novel inhibitors of human brain memapsin 2 (beta-secretase).BDB Bioorg Med Chem Lett 15: 15-20 (2005) University of Illinois at Chicago 2D 3D TSV
15576036 110 Structural basis for the activity of drugs that inhibit phosphodiesterases.BDB Structure 12: 2233-47 (2004) Plexxikon 2D 3D TSV
15568781 2 Indole glucoalkaloids from Chimarrhis turbinata and their evaluation as antioxidant agents and acetylcholinesterase inhibitors.EBI J Nat Prod 67: 1882-5 (2004) Instituto de Qu£mica da Universidade Estadual Paulista 2D 3D TSV
15568772 3 Isolation of cytochrome P450 inhibitors from strawberry fruit, Fragaria ananassa.EBI J Nat Prod 67: 1839-41 (2004) Kanazawa University 2D 3D TSV
15568770 4 Estrogenic and anticarcinogenic properties of kurarinone, a lavandulyl flavanone from the roots of Sophora flavescens.EBI J Nat Prod 67: 1829-32 (2004) Ghent University 2D 3D TSV
15568761 18 Mechanism-based inactivation of COX-1 by red wine m-hydroquinones: a structure-activity relationship study.EBI J Nat Prod 67: 1777-82 (2004) University of Pennsylvania School of Medicine 2D 3D TSV
15567297 62 Interaction of 31 beta-lactam antibiotics with the H+/peptide symporter PEPT2: analysis of affinity constants and comparison with PEPT1.EBI Eur J Pharm Biopharm 59: 17-24 (2004) Biozentrum of the Martin-Luther-University Halle-Wittenberg 2D 3D TSV
15566311 6 Discovery of novel phenolic antioxidants as inhibitors of vascular cell adhesion molecule-1 expression for use in chronic inflammatory diseases.EBI J Med Chem 47: 6420-32 (2004) AtheroGenics, Inc. 2D 3D TSV
15566309 69 Monoamine transporter binding, locomotor activity, and drug discrimination properties of 3-(4-substituted-phenyl)tropane-2-carboxylic acid methyl ester isomers.EBI J Med Chem 47: 6401-9 (2004) Research Triangle Institute 2D 3D TSV
15566308 32 New constrained"molecular tongs" designed to dissociate HIV-1 protease dimer.EBI J Med Chem 47: 6392-400 (2004) Université de Paris-Sud 2D 3D TSV
15566305 14 Potent N-(1,3-thiazol-2-yl)pyridin-2-amine vascular endothelial growth factor receptor tyrosine kinase inhibitors with excellent pharmacokinetics and low affinity for the hERG ion channel.BDB J Med Chem 47: 6363-72 (2004) Merck Research Laboratories 2D 3D TSV
15566302 101 Synthesis and structure-activity relationships of novel histamine H1 antagonists: indolylpiperidinyl benzoic acid derivatives.EBI J Med Chem 47: 6326-37 (2004) Rhône-Poulenc Rorer 2D 3D TSV
15566301 36 Tetrasubstituted imidazole inhibitors of cytokine release: probing substituents in the N-1 position.EBI J Med Chem 47: 6311-25 (2004) Eberhard-Karls-University Tübingen 2D 3D TSV
15566299 17 An in silico approach to discovering novel inhibitors of human sirtuin type 2.EBI J Med Chem 47: 6292-8 (2004) University of Kuopio 2D 3D TSV
15566298 34 The discovery of orally active triaminotriazine aniline amides as inhibitors of p38 MAP kinase.EBI J Med Chem 47: 6283-91 (2004) Bristol-Myers Squibb 2D 3D TSV
15566296 142 Synthesis and structure-activity relationships of 4-alkynyloxy phenyl sulfanyl, sulfinyl, and sulfonyl alkyl hydroxamates as tumor necrosis factor-alpha converting enzyme and matrix metalloproteinase inhibitors.EBI J Med Chem 47: 6255-69 (2004) Wyeth Research 2D 3D TSV
15566295 2 Acetylcholinesterase inhibitory activity of scopolin and scopoletin discovered by virtual screening of natural products.EBI J Med Chem 47: 6248-54 (2004) Leopold-Franzens University of Innsbruck 2D 3D TSV
15566294 5 Optimization of protein kinase CK2 inhibitors derived from 4,5,6,7-tetrabromobenzimidazole.EBI J Med Chem 47: 6239-47 (2004) Università di Padova 2D 3D TSV
15566292 153 Novel bicyclic piperazine derivatives of triazolotriazine and triazolopyrimidines as highly potent and selective adenosine A2A receptor antagonists.EBI J Med Chem 47: 6218-29 (2004) Biogen Idec Inc. 2D 3D TSV
15566290 60 New COX-2/5-LOX inhibitors: apoptosis-inducing agents potentially useful in prostate cancer chemotherapy.EBI J Med Chem 47: 6195-206 (2004) Université de Lille 2 2D 3D TSV
15566289 18 Discovery of bicyclic thymidine analogues as selective and high-affinity inhibitors of Mycobacterium tuberculosis thymidine monophosphate kinase.EBI J Med Chem 47: 6187-94 (2004) Ghent University 2D 3D TSV
15566284 12 Novel azido and isothiocyanato analogues of [3-(4-phenylalkylpiperazin-1-yl)propyl]bis(4-fluorophenyl)amines as potential irreversible ligands for the dopamine transporter.EBI J Med Chem 47: 6128-36 (2004) National Institute on Drug Abuse 2D 3D TSV
15566283 43 Lactams as EP4 prostanoid receptor agonists. 3. Discovery of N-ethylbenzoic acid 2-pyrrolidinones as subtype selective agents.EBI J Med Chem 47: 6124-7 (2004) Roche Palo Alto 2D 3D TSV
15566281 5 Identification of a small molecule nonpeptide active site beta-secretase inhibitor that displays a nontraditional binding mode for aspartyl proteases.BDB J Med Chem 47: 6117-9 (2004) Merck Research Laboratories 2D 3D TSV
15563167 10 The complex of a bivalent derivative of galanthamine with torpedo acetylcholinesterase displays drastic deformation of the active-site gorge: implications for structure-based drug design.BDB J Am Chem Soc 126: 15405-11 (2004) Weizmann Institute of Science 2D 3D TSV
15561838 6 Functional cloning of Bacillus anthracis dihydrofolate reductase and confirmation of natural resistance to trimethoprim.BDB Antimicrob Agents Chemother 48: 4643-9 (2004) Oklahoma State University at Stillwater 2D 3D TSV
15559249 55 Pharmacological inhibitors of glycogen synthase kinase 3.EBI Trends Pharmacol Sci 25: 471-80 (2004) The Rockefeller University 2D 3D TSV
15558955 10 Synthesis and urease enzyme inhibitory effects of some dicoumarols.BDB J Enzyme Inhib Med Chem 19: 367-71 (2004) University of Karachi 2D 3D TSV
15546740 41 Conversion of human-selective PPARalpha agonists to human/mouse dual agonists: a molecular modeling analysis.EBI Bioorg Med Chem Lett 14: 6113-6 (2004) Lilly Research Laboratories 2D 3D TSV
15546739 60 The synthesis and evaluation of [2.2.1]-bicycloazahydantoins as androgen receptor antagonists.EBI Bioorg Med Chem Lett 14: 6107-11 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15546737 59 Aminoimidazo[1,2-a]pyridines as a new structural class of cyclin-dependent kinase inhibitors. Part 1: Design, synthesis, and biological evaluation.BDB Bioorg Med Chem Lett 14: 6095-9 (2004) Avenida de la Industria 2D 3D TSV
15546736 16 QSAR modelling of HIV-1 reverse transcriptase inhibition by benzoxazinones using a combination of P_VSA and pharmacophore feature descriptors.EBI Bioorg Med Chem Lett 14: 6089-94 (2004) S.G.S.I.T.S. 2D 3D TSV
15546735 25 Identification of a highly potent and selective DNA-dependent protein kinase (DNA-PK) inhibitor (NU7441) by screening of chromenone libraries.EBI Bioorg Med Chem Lett 14: 6083-7 (2004) University of Newcastle 2D 3D TSV
15546733 15 Novel diarylsulfonylurea derivatives as potent antimitotic agents.EBI Bioorg Med Chem Lett 14: 6075-8 (2004) LG Life Sciences, Ltd 2D 3D TSV
15546732 11 Structure-based virtual screening and biological evaluation of potent and selective ADAM12 inhibitors.EBI Bioorg Med Chem Lett 14: 6071-4 (2004) Department of Life Science and National Research Laboratory of Proteolysis 2D 3D TSV
15546730 9 Discovery of novel 2-(aminoheteroaryl)-thiazole-5-carboxamides as potent and orally active Src-family kinase p56(Lck) inhibitors.EBI Bioorg Med Chem Lett 14: 6061-6 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15546728 15 Design of bivalent ligands using hydrogen bond linkers: synthesis and evaluation of inhibitors for human beta-tryptase.EBI Bioorg Med Chem Lett 14: 6053-6 (2004) Aventis Pharmaceuticals 2D 3D TSV
15546727 6 3-(2-Methoxytetrahydrofuran-2-yl)pyrazoles: a novel class of potent, selective cyclooxygenase-2 (COX-2) inhibitors.EBI Bioorg Med Chem Lett 14: 6049-52 (2004) NitroMed Inc. 2D 3D TSV
15546726 22 Development of an efficient and selective radioligand for bradykinin B1 receptor occupancy studies.EBI Bioorg Med Chem Lett 14: 6045-8 (2004) Merck Research Laboratories 2D 3D TSV
15546725 3 Antiviral compounds from traditional Chinese medicines Galla Chinese as inhibitors of HCV NS3 protease.EBI Bioorg Med Chem Lett 14: 6041-4 (2004) Peking University 2D 3D TSV
15546720 31 CVT-4325: a potent fatty acid oxidation inhibitor with favorable oral bioavailability.EBI Bioorg Med Chem Lett 14: 6017-21 (2004) CV Therapeutics, Inc. 2D 3D TSV
15546719 38 Design, synthesis and evaluation of bicyclic benzamides as novel 5-HT1F receptor agonists.EBI Bioorg Med Chem Lett 14: 6011-6 (2004) Lilly Research Laboratories 2D 3D TSV
15546718 28 Synthesis of 8-thiabicyclo[3.2.1]oct-2-enes and their binding affinity for the dopamine and serotonin transporters.EBI Bioorg Med Chem Lett 14: 6007-10 (2004) Organix Inc. 2D 3D TSV
15546717 130 Carbonic anhydrase inhibitors. Inhibition of the prokariotic beta and gamma-class enzymes from Archaea with sulfonamides.EBI Bioorg Med Chem Lett 14: 6001-6 (2004) Pennsylvania State University 2D 3D TSV
15546715 65 Alpha-1-C-alkyl-1-deoxynojirimycin derivatives as potent and selective inhibitors of intestinal isomaltase: remarkable effect of the alkyl chain length on glycosidase inhibitory profile.EBI Bioorg Med Chem Lett 14: 5991-5 (2004) Universit£ d'Orl£ans 2D 3D TSV
15546711 24 Isosteric N-arylpiperazine replacements in a series of dihydropyridine NPY1 receptor antagonists.EBI Bioorg Med Chem Lett 14: 5975-8 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15546708 35 Tryptamine-based human beta3-adrenergic receptor agonists. Part 2: SAR of the methylene derivatives.EBI Bioorg Med Chem Lett 14: 5963-6 (2004) Dainippon Pharmaceutical Co., Ltd 2D 3D TSV
15546707 60 Tryptamine-based human beta3-adrenergic receptor agonists. Part 1: SAR studies of the 7-position of the indole ring.EBI Bioorg Med Chem Lett 14: 5959-62 (2004) Dainippon Pharmaceutical Co., Ltd 2D 3D TSV
15537365 20 A new class of acyclic 2-alkyl-1,1,2-triaryl (Z)-olefins as selective cyclooxygenase-2 inhibitors.EBI J Med Chem 47: 6108-11 (2004) University of Alberta 2D 3D TSV
15537361 9 Design, synthesis, and preliminary pharmacological evaluation of 4-aminopiperidine derivatives as N-type calcium channel blockers active on pain and neuropathic pain.EBI J Med Chem 47: 6070-81 (2004) Universit£ di Firenze 2D 3D TSV
15537358 26 Beta-oxygenated analogues of the 5-HT2A serotonin receptor agonist 1-(4-bromo-2,5-dimethoxyphenyl)-2-aminopropane.EBI J Med Chem 47: 6034-41 (2004) Virginia Commonwealth University 2D 3D TSV
15537357 5 Centrally acting and metabolically stable thyrotropin-releasing hormone analogues by replacement of histidine with substituted pyridinium.EBI J Med Chem 47: 6025-33 (2004) University of Florida 2D 3D TSV
15537355 4 AT2-selective angiotensin II analogues containing tyrosine-functionalized 5,5-bicyclic thiazabicycloalkane dipeptide mimetics.EBI J Med Chem 47: 6009-19 (2004) Uppsala University 2D 3D TSV
15537354 14 Design, synthesis, and biological evaluation of the first selective nonpeptide AT2 receptor agonist.EBI J Med Chem 47: 5995-6008 (2004) Uppsala University 2D 3D TSV
15537353 59 Building predictive models for protein tyrosine phosphatase 1B inhibitors based on discriminating structural features by reassembling medicinal chemistry building blocks.EBI J Med Chem 47: 5984-94 (2004) Leadscope, Inc. 2D 3D TSV
15537352 15 5-substituted tetrazoles as bioisosteres of carboxylic acids. Bioisosterism and mechanistic studies on glutathione reductase inhibitors as antimalarials.EBI J Med Chem 47: 5972-83 (2004) Université Libre de Bruxelles 2D 3D TSV
15537351 2 Tetrahydrobiopterin binding to aromatic amino acid hydroxylases. Ligand recognition and specificity.EBI J Med Chem 47: 5962-71 (2004) University of Bergen 2D 3D TSV
15537350 54 Improved structure-activity relationship analysis of HIV-1 protease inhibitors using interaction kinetic data.EBI J Med Chem 47: 5953-61 (2004) Uppsala University 2D 3D TSV
15537349 18 Design, synthesis, and biological evaluation of conformationally restricted rivastigmine analogues.BDB J Med Chem 47: 5945-52 (2004) University of Bologna 2D 3D TSV
15537346 15 Design of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase with Improved Drug Resistance Properties. 1.BDB J Med Chem 47: 5912-22 (2004) University of Oxford 2D 3D TSV
15537345 171 Synthesis and biological evaluation of 1-aryl-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of cyclin-dependent kinases.BDB J Med Chem 47: 5894-911 (2004) Bristol-Myers Squibb Company 2D 3D TSV
15537343 4 Fluorinated phenylcyclopropylamines. 2. Effects of aromatic ring substitution and of absolute configuration on inhibition of microbial tyramine oxidase.EBI J Med Chem 47: 5860-71 (2004) Universit£t M£nster 2D 3D TSV
15537340 27 Novel purine nitrile derived inhibitors of the cysteine protease cathepsin K.EBI J Med Chem 47: 5833-6 (2004) Novartis Institutes for BioMedical Research 2D 3D TSV
15537339 18 An orally bioavailable, functionally selective inverse agonist at the benzodiazepine site of GABAA alpha5 receptors with cognition enhancing properties.EBI J Med Chem 47: 5829-32 (2004) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
15537338 38 Discovery of positive allosteric modulators for the metabotropic glutamate receptor subtype 5 from a series of N-(1,3-diphenyl-1H- pyrazol-5-yl)benzamides that potentiate receptor function in vivo.EBI J Med Chem 47: 5825-8 (2004) Merck Research Laboratories 2D 3D TSV
15537337 95 Piperidine-based nocaine/modafinil hybrid ligands as highly potent monoamine transporter inhibitors: efficient drug discovery by rational lead hybridization.EBI J Med Chem 47: 5821-4 (2004) Acenta Discovery, Inc. 2D 3D TSV
15533054 24 Inhibition of wild-type and mutant human immunodeficiency virus type 1 proteases by GW0385 and other arylsulfonamides.BDB Biochemistry 43: 14500-7 (2004) GlaxoSmithKline 2D 3D TSV
15530990 6 Synthesis and biological evaluation of 4-imidazolylflavans as nonsteroidal aromatase inhibitors.BDB Bioorg Chem 32: 494-503 (2004) Biomolécules et Cibles Cellulaires Tumorales 2D 3D TSV
15522303 73 Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).BDB J Mol Biol 344: 527-47 (2004) Celera 2D 3D TSV
15519161 54 Studies of nonnucleoside HIV-1 reverse transcriptase inhibitors. Part 1: Design and synthesis of thiazolidenebenzenesulfonamides.BDB Bioorg Med Chem 12: 6171-82 (2004) Yamanouchi Pharmaceutical Co. Ltd 2D 3D TSV
15515092 54 The core structures of roseophilin and the prodigiosin alkaloids define a new class of protein tyrosine phosphatase inhibitors.BDB Chembiochem 5: 1575-9 (2004) Max-Planck-Institut für Kohlenforschung 2D 3D TSV
15509719 17 [(pF)Phe4,Arg14,Lys15]N/OFQ-NH2 (UFP-102), a highly potent and selective agonist of the nociceptin/orphanin FQ receptor.BDB J Pharmacol Exp Ther 312: 1114-23 (2005) Section of Pharmacology 2D 3D TSV
15509178 37 Efficient evaluation of binding free energy using continuum electrostatics solvation.EBI J Med Chem 47: 5791-7 (2004) University of Zürich 2D 3D TSV
15509177 27 Synthesis, structure-activity relationships, and in vivo properties of 3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-ones as corticotropin-releasing factor-1 receptor antagonists.EBI J Med Chem 47: 5783-90 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15509168 10 Studies of targeting and intracellular trafficking of an anti-androgen doxorubicin-formaldehyde conjugate in PC-3 prostate cancer cells bearing androgen receptor-GFP chimera.EBI J Med Chem 47: 5690-9 (2004) University of Colorado 2D 3D TSV
15509165 6 Structural characterization and pharmacology of a potent (Cys101-Cys119, Cys110-Cys117) bicyclic agouti-related protein (AGRP) melanocortin receptor antagonist.EBI J Med Chem 47: 5662-73 (2004) University of Florida 2D 3D TSV
15509161 90 Novel secoergoline derivatives inhibit both GABA and glutamate uptake in rat brain homogenates: synthesis, in vitro pharmacology, and modeling.EBI J Med Chem 47: 5620-9 (2004) Budapest University of Technology and Economics 2D 3D TSV
15509157 14 A cyclopent-2-enecarbonyl group mimics proline at the P2 position of prolyl oligopeptidase inhibitors.EBI J Med Chem 47: 5605-7 (2004) University of Kuopio 2D 3D TSV
15509155 5 NO-sartans: a new class of pharmacodynamic hybrids as cardiovascular drugs.EBI J Med Chem 47: 5597-600 (2004) Universit£ di Pisa 2D 3D TSV
15509154 24 Identification of a selective inverse agonist for the orphan nuclear receptor estrogen-related receptor alpha.EBI J Med Chem 47: 5593-6 (2004) X-Ceptor Therapeutics, Inc. 2D 3D TSV
15506789 24 Factors controlling the complex architecture of native and modified cyclodextrins with dipeptide (Z-Glu-Tyr) studied by microcalorimetry and NMR spectroscopy: critical effects of peripheral bis-trimethylamination and cavity size.BDB J Am Chem Soc 126: 14224-33 (2004) Nagoya Institute of Technology 2D 3D TSV
15501072 58 1,2,3,4-Tetrahydroquinoline-containing alphaVbeta3 integrin antagonists with enhanced oral bioavailability.EBI Bioorg Med Chem Lett 14: 5937-41 (2004) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
15501070 4 Identification of peptidomimetic HTLV-I protease inhibitors containing hydroxymethylcarbonyl (HMC) isostere as the transition-state mimic.EBI Bioorg Med Chem Lett 14: 5925-9 (2004) Kyoto Pharmaceutical University 2D 3D TSV
15501067 51 Synthesis of analogs of (1,4)-3- and 5-imino oxazepane, thiazepane, and diazepane as inhibitors of nitric oxide synthases.EBI Bioorg Med Chem Lett 14: 5907-11 (2004) Merck Research Laboratories 2D 3D TSV
15501065 6 Bridgehead modification of trihalocycloheptabenzopyridine leads to a potent farnesyl protein transferase inhibitor with improved oral metabolic stability.EBI Bioorg Med Chem Lett 14: 5899-902 (2004) Schering-Plough Research Institute 2D 3D TSV
15501061 51 Tetrahydroisoquinoline derivatives as melatonin MT2 receptor antagonists.EBI Bioorg Med Chem Lett 14: 5881-4 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15501058 23 Allosteric potentiators of the metabotropic glutamate receptor 2 (mGlu2). Part 2: 4-thiopyridyl acetophenones as non-tetrazole containing mGlu2 receptor potentiators.EBI Bioorg Med Chem Lett 14: 5867-72 (2004) Merck Research Laboratories 2D 3D TSV
15501057 20 The impact of spacer structure on 5-HT7 and 5-HT1A receptor affinity in the group of long-chain arylpiperazine ligands.EBI Bioorg Med Chem Lett 14: 5863-6 (2004) Polish Academy of Sciences 2D 3D TSV
15501053 25 Evaluation of by disubstituted acridone derivatives as telomerase inhibitors: the importance of G-quadruplex binding.EBI Bioorg Med Chem Lett 14: 5845-9 (2004) University of London 2D 3D TSV
15501049 18 Synthesis and alpha4beta2 nicotinic affinity of 2-pyrrolidinylmethoxyimines and prolinal oxime ethers.EBI Bioorg Med Chem Lett 14: 5827-30 (2004) Università di Milano 2D 3D TSV
15501047 75 Chlorothiophenecarboxamides as P1 surrogates of inhibitors of blood coagulation factor Xa.EBI Bioorg Med Chem Lett 14: 5817-22 (2004) Merck KGaA 2D 3D TSV
15501046 9 Design, synthesis, and evaluation of hexahydrobenz[f]isoquinolines as a novel class of dopamine 3 receptor ligands.EBI Bioorg Med Chem Lett 14: 5813-6 (2004) University of Michigan 2D 3D TSV
15501045 16 Synthesis of small molecule CDC25 phosphatases inhibitors.EBI Bioorg Med Chem Lett 14: 5809-12 (2004) Institut Henri Beaufour 2D 3D TSV
15501044 5 Inactivation of human S-adenosylhomocysteine hydrolase by covalent labeling of cysteine 195 with thionucleoside derivatives.EBI Bioorg Med Chem Lett 14: 5803-7 (2004) UMR 6519 2D 3D TSV
15501043 4 Inactivation of S-adenosylhomocysteine hydrolase with haloethyl and dihalocyclopropyl esters derived from homoadenosine-6'-carboxylic acid.EBI Bioorg Med Chem Lett 14: 5799-802 (2004) UMR 6519 2D 3D TSV
15501042 18 Urea derivatives of STI571 as inhibitors of Bcr-Abl and PDGFR kinases.EBI Bioorg Med Chem Lett 14: 5793-7 (2004) Novartis Institutes for Biomedical Research 2D 3D TSV
15501040 26 Carbonic anhydrase inhibitors. Design of anticonvulsant sulfonamides incorporating indane moieties.EBI Bioorg Med Chem Lett 14: 5781-6 (2004) Universit£ Joseph Fourier de Grenoble 2D 3D TSV
15501039 51 Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides derived from 4-isothiocyanato-benzolamide.EBI Bioorg Med Chem Lett 14: 5775-80 (2004) Universit£ degli Studi di Firenze 2D 3D TSV
15501038 68 Carbonic anhydrase inhibitors: inhibition of the membrane-bound human isozyme IV with anions.EBI Bioorg Med Chem Lett 14: 5769-73 (2004) Universit£ degli Studi di Firenze 2D 3D TSV
15501037 27 Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with phosphates, carbamoyl phosphate, and the phosphonate antiviral drug foscarnet.EBI Bioorg Med Chem Lett 14: 5763-7 (2004) Università degli Studi di Milano 2D 3D TSV
15501035 12 Novel 2-oxoimidazolidine-4-carboxylic acid derivatives as hepatitis C virus NS3-4A serine protease inhibitors: synthesis, activity, and X-ray crystal structure of an enzyme inhibitor complex.BDB Bioorg Med Chem Lett 14: 5751-5 (2004) Schering-Plough Research Institute 2D 3D TSV
15501032 14 Haloperidol: towards further understanding of the structural contributions of its pharmacophoric elements at D2-like receptors.EBI Bioorg Med Chem Lett 14: 5739-42 (2004) Florida A& M University 2D 3D TSV
15499999 35 Benzolamide is not a membrane-impermeant carbonic anhydrase inhibitor.BDB J Enzyme Inhib Med Chem 19: 269-73 (2004) Università degli Studi di Firenze 2D 3D TSV
15497954 2 DNA polymerase beta lyase inhibitors from Maytenus putterlickoides.EBI J Nat Prod 67: 1744-7 (2004) University of Virginia 2D 3D TSV
15497946 2 Marine sesquiterpenoids that inhibit the lyase activity of DNA polymerase beta.EBI J Nat Prod 67: 1716-8 (2004) Virginia Polytechnic Institute and State University 2D 3D TSV
15497939 2 Inhibition of the human chemokine receptor CCR5 by variecolin and variecolol and isolation of four new variecolin analogues, emericolins A-D, from Emericella aurantiobrunnea.EBI J Nat Prod 67: 1681-4 (2004) MerLion Pharmaceuticals 2D 3D TSV
15496291 4 Different transport properties between famotidine and cimetidine by human renal organic ion transporters (SLC22A).EBI Eur J Pharmacol 503: 25-30 (2004) Kyoto University Hospital 2D 3D TSV
15492773 11 Dihydrexidine--the first full dopamine D1 receptor agonist.BDB CNS Drug Rev 10: 230-42 (2004) Karolinska Institutet 2D 3D TSV
15491144 22 Role of inhibitor aliphatic chain in the thermodynamics of inhibitor binding to Escherichia coli enoyl-ACP reductase and the Phe203Leu mutant: a proposed mechanism for drug resistance.BDB Biochemistry 43: 13380-9 (2004) University of Alabama at Birmingham 2D 3D TSV
15489169 7 Multicopy suppressors for novel antibacterial compounds reveal targets and drug efflux susceptibility.BDB Chem Biol 11: 1423-30 (2004) McMaster University 2D 3D TSV
15489168 31 Disruption of protein-membrane binding and identification of small-molecule inhibitors of coagulation factor VIII.BDB Chem Biol 11: 1413-22 (2004) University of Washington 2D 3D TSV
15482953 2 Synthesis, radiolabeling, and preliminary biological evaluation of [3H]-1-[(S)-N,O-bis-(isoquinolinesulfonyl)-N-methyl-tyrosyl]-4-(o-tolyl)-piperazine, a potent antagonist radioligand for the P2X7 receptor.EBI Bioorg Med Chem Lett 14: 5709-12 (2004) Università di Ferrara 2D 3D TSV
15482952 48 Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives.EBI Bioorg Med Chem Lett 14: 5703-7 (2004) Università degli Studi di Firenze 2D 3D TSV
15482950 17 Azepinone as a conformational constraint in the design of kappa-opioid receptor agonists.EBI Bioorg Med Chem Lett 14: 5693-7 (2004) Adolor Corporation 2D 3D TSV
15482949 17 Discovery of potent pyrrolidone-based HIV-1 protease inhibitors with enhanced drug-like properties.BDB Bioorg Med Chem Lett 14: 5689-92 (2004) GlaxoSmithKline 2D 3D TSV
15482948 7 Potent inhibitors of the HIV-1 protease incorporating cyclic urea P1-P2 scaffold.BDB Bioorg Med Chem Lett 14: 5685-7 (2004) GlaxoSmithKline 2D 3D TSV
15482944 7 Myxopyronin B analogs as inhibitors of RNA polymerase, synthesis and biological evaluation.EBI Bioorg Med Chem Lett 14: 5667-72 (2004) Anadys Pharmaceuticals Inc. 2D 3D TSV
15482941 18 Synthesis and CYP24 inhibitory activity of 2-substituted-3,4-dihydro-2H-naphthalen-1-one (tetralone) derivatives.EBI Bioorg Med Chem Lett 14: 5651-4 (2004) Cardiff University 2D 3D TSV
15482939 5 Synthesis of 5'-substituted fluoro-neplanocin A analogues: importance of a hydrogen bonding donor at 5'-position for the inhibitory activity of S-adenosylhomocysteine hydrolase.EBI Bioorg Med Chem Lett 14: 5641-4 (2004) Pusan National University 2D 3D TSV
15482938 45 Synthesis and amine transporter affinities of novel phenyltropane derivatives as potential positron emission tomography (PET) imaging agents.EBI Bioorg Med Chem Lett 14: 5635-9 (2004) Harvard Medical School 2D 3D TSV
15482935 1 Synthesis of 61-bis(1-adamantylcarbamoyl)-1,2-methano[60]fullerene and its antagonistic effect on haloperidol-induced catalepsy in mice.EBI Bioorg Med Chem Lett 14: 5619-21 (2004) Kyushu University 2D 3D TSV
15482934 42 QSAR modeling of the MAO inhibitory activity of xanthones derivatives.EBI Bioorg Med Chem Lett 14: 5611-7 (2004) UNNE 2D 3D TSV
15482933 55 Piperazinebenzylamines as potent and selective antagonists of the human melanocortin-4 receptor.EBI Bioorg Med Chem Lett 14: 5605-9 (2004) Neurocrine Biosciences, Inc. 2D 3D TSV
15482932 32 Identification of neutral 4-O-alkyl quinolone nonpeptide GnRH receptor antagonists.EBI Bioorg Med Chem Lett 14: 5599-603 (2004) Merck Research Laboratories 2D 3D TSV
15482931 20 Synthesis and HIV-1 integrase inhibitory activity of dimeric and tetrameric analogs of indolicidin.EBI Bioorg Med Chem Lett 14: 5595-8 (2004) National Cancer Institute-Frederick 2D 3D TSV
15482930 22 Cetirizine and loratadine-based antihistamines with 5-lipoxygenase inhibitory activity.EBI Bioorg Med Chem Lett 14: 5591-4 (2004) UCB Research 2D 3D TSV
15482920 11 Isoxazole carboxylic acids as protein tyrosine phosphatase 1B (PTP1B) inhibitors.BDB Bioorg Med Chem Lett 14: 5543-6 (2004) Abbott Laboratories 2D 3D TSV
15482918 10 Novel fibrinogen receptor antagonists. RGDF mimetics, derivatives of 4-(isoindoline-5-yl)amino-4-oxobutyric acid.EBI Bioorg Med Chem Lett 14: 5533-5 (2004) A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine 2D 3D TSV
15482916 64 Discovery and SAR of 2-aminothiazole inhibitors of cyclin-dependent kinase 5/p25 as a potential treatment for Alzheimer's disease.EBI Bioorg Med Chem Lett 14: 5521-5 (2004) Pfizer Global Research and Development 2D 3D TSV
15482915 104 Synthesis and evaluation of pyridazinylpiperazines as vanilloid receptor 1 antagonists.EBI Bioorg Med Chem Lett 14: 5513-9 (2004) Purdue Pharma L.P. 2D 3D TSV
15482914 25 Azaadamantane benzamide 5-HT4 agonists: gastrointestinal prokinetic SC-54750.EBI Bioorg Med Chem Lett 14: 5509-12 (2004) Pfizer Inc. 2D 3D TSV
15482913 16 A 13C NMR approach to categorizing potential limitations of alpha,beta-unsaturated carbonyl systems in drug-like molecules.EBI Bioorg Med Chem Lett 14: 5503-7 (2004) Abbott Bioresearch Center 2D 3D TSV
15482912 24 1-(2-Aminoethyl)-3-(arylsulfonyl)-1H-indoles as novel 5-HT6 receptor ligands.EBI Bioorg Med Chem Lett 14: 5499-502 (2004) Wyeth Research 2D 3D TSV
15482911 65 Parallel methods for the preparation and SAR exploration of N-ethyl-4-[(8-alkyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-aryl-methyl]-benzamides, powerful mu and delta opioid agonists.EBI Bioorg Med Chem Lett 14: 5493-8 (2004) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
15482910 53 Parallel synthesis of acylsemicarbazide libraries: preparation of potent cyclin dependent kinase (cdk) inhibitors.BDB Bioorg Med Chem Lett 14: 5489-91 (2004) DuPont Pharmaceuticals Company 2D 3D TSV
15482909 60 Expedited SAR study of an mGluR5 antagonists: generation of a focused library using a solution-phase Suzuki coupling methodology.EBI Bioorg Med Chem Lett 14: 5485-8 (2004) Merck Research Laboratories 2D 3D TSV
15482908 13 Discovery of highly potent, selective, orally bioavailable, metabotropic glutamate subtype 5 (mGlu5) receptor antagonists devoid of cytochrome P450 1A2 inhibitory activity.EBI Bioorg Med Chem Lett 14: 5481-4 (2004) Merck Research Laboratories 2D 3D TSV
15482907 36 3-[3-Fluoro-5-(5-pyridin-2-yl-2H-tetrazol-2-yl)phenyl]-4-methylpyridine: a highly potent and orally bioavailable metabotropic glutamate subtype 5 (mGlu5) receptor antagonist.EBI Bioorg Med Chem Lett 14: 5477-80 (2004) Merck Research Laboratories 2D 3D TSV
15482906 25 2-(2-[3-(pyridin-3-yloxy)phenyl]-2H-tetrazol-5-yl) pyridine: a highly potent, orally active, metabotropic glutamate subtype 5 (mGlu5) receptor antagonist.EBI Bioorg Med Chem Lett 14: 5473-6 (2004) Merck Research Laboratories 2D 3D TSV
15481995 6 Evaluation of lactam-bridged neurotensin analogues adjusting psi(Pro10) close to the experimentally derived bioactive conformation of NT(8-13).EBI J Med Chem 47: 5587-90 (2004) Friedrich Alexander University 2D 3D TSV
15481994 1 Spectroscopic studies of diketoacids-metal interactions. A probing tool for the pharmacophoric intermetallic distance in the HIV-1 integrase active site.EBI J Med Chem 47: 5583-6 (2004) Université des Sciences et Technologies de Lille 2D 3D TSV
15481991 2 Increased anti-P-glycoprotein activity of baicalein by alkylation on the A ring.EBI J Med Chem 47: 5555-66 (2004) Yale University 2D 3D TSV
15481989 70 Synthesis and biological evaluation of novel N6-[4-(substituted)sulfonamidophenylcarbamoyl]adenosine-5'-uronamides as A3 adenosine receptor agonists.EBI J Med Chem 47: 5535-40 (2004) Universit£ di Ferrara 2D 3D TSV
15481986 69 A docking score function for estimating ligand-protein interactions: application to acetylcholinesterase inhibition.EBI J Med Chem 47: 5492-500 (2004) University of Kansas 2D 3D TSV
15481984 45 Design, synthesis, and evaluation of 3,4-dihydro-2H-[1,4]diazepino[6,7,1-hi]indol-1-ones as inhibitors of poly(ADP-ribose) polymerase.EBI J Med Chem 47: 5467-81 (2004) Pfizer Global R&D--La Jolla Laboratories 2D 3D TSV
15481983 20 Novel 5-HT7 receptor inverse agonists. Synthesis and molecular modeling of arylpiperazine- and 1,2,3,4-tetrahydroisoquinoline-based arylsulfonamides.EBI J Med Chem 47: 5451-66 (2004) State University of Groningen 2D 3D TSV
15481982 38 Inhibition of nucleoside transport by new analogues of 4-nitrobenzylthioinosine: replacement of the ribose moiety by substituted benzyl groups.EBI J Med Chem 47: 5441-50 (2004) Leiden University 2D 3D TSV
15481981 25 Influence of the linker in bispyridium compounds on the inhibition of human choline kinase.EBI J Med Chem 47: 5433-40 (2004) Universidad de Grenada 2D 3D TSV
15481979 46 A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different classes of novel Pfmrk specific inhibitors.EBI J Med Chem 47: 5418-26 (2004) Walter Reed Army Institute of Research 2D 3D TSV
15481978 23 Identification and specificity studies of small-molecule ligands for SH3 protein domains.EBI J Med Chem 47: 5405-17 (2004) The University of Adelaide 2D 3D TSV
15481977 62 Architecture of P2Y nucleotide receptors: structural comparison based on sequence analysis, mutagenesis, and homology modeling.EBI J Med Chem 47: 5393-404 (2004) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
15481976 17 Successful virtual screening for a submicromolar antagonist of the neurokinin-1 receptor based on a ligand-supported homology model.EBI J Med Chem 47: 5381-92 (2004) Philipps-Universit£t Marburg 2D 3D TSV
15481974 43 Second-generation lymphocyte function-associated antigen-1 inhibitors: 1H-imidazo[1,2-alpha]imidazol-2-one derivatives.EBI J Med Chem 47: 5356-66 (2004) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
15481972 41 Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition.EBI J Med Chem 47: 5340-6 (2004) University of Leicester 2D 3D TSV
15481971 32 HCV NS5b RNA-dependent RNA polymerase inhibitors: from alpha,gamma-diketoacids to 4,5-dihydroxypyrimidine- or 3-methyl-5-hydroxypyrimidinonecarboxylic acids. Design and synthesis.EBI J Med Chem 47: 5336-9 (2004) Italy. Vinc 2D 3D TSV
15466448 7 Acute wake-promoting actions of JNJ-5207852, a novel, diamine-based H3 antagonist.BDB Br J Pharmacol 143: 649-61 (2004) Johnson & Johnson Pharmaceutical Research and Development, LLC 2D 3D TSV
15466206 10 BAY 43-9006 exhibits broad spectrum oral antitumor activity and targets the RAF/MEK/ERK pathway and receptor tyrosine kinases involved in tumor progression and angiogenesis.BDB Cancer Res 64: 7099-109 (2004) Bayer Pharmaceuticals Corporation 2D 3D TSV
15456276 45 5-(tryptophylamino)-1,3-dioxoperhydropyrido[1,2-c]pyrimidine-based cholecystokinin receptor antagonists: reversal of CCK1 receptor subtype selectivity toward CCK2 receptors.EBI J Med Chem 47: 5318-29 (2004) Instituto de Qu£mica M£dica (CSIC) 2D 3D TSV
15456274 34 Design and synthesis of novel indole beta-diketo acid derivatives as HIV-1 integrase inhibitors.EBI J Med Chem 47: 5298-310 (2004) Università di Sassari 2D 3D TSV
15456270 24 2-(2-(dimethylaminomethyl)phenoxy)-5-iodophenylamine: an improved serotonin transporter imaging agent.EBI J Med Chem 47: 5258-64 (2004) University of Pennsylvania 2D 3D TSV
15456269 2 Stereoselective synthesis of sugar-modified enyne analogues of adenosine and uridine. Interaction with S-adenosyl-L-homocysteine hydrolase and antiviral and cytotoxic effects.EBI J Med Chem 47: 5251-7 (2004) Florida International University 2D 3D TSV
15456265 52 Carbonic anhydrase inhibitors: the first on-resin screening of a 4-sulfamoylphenylthiourea library.EBI J Med Chem 47: 5224-9 (2004) University of Florence 2D 3D TSV
15456262 32 Synthesis and evaluation of the affinity toward mu-opioid receptors of atypical, lipophilic ligands based on the sequence c[-Tyr-Pro-Trp-Phe-Gly-].EBI J Med Chem 47: 5198-203 (2004) Universit£ di Bologna 2D 3D TSV
15456260 21 Synthesis and conformational analysis of a non-amidine factor Xa inhibitor that incorporates 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine as S4 binding element.EBI J Med Chem 47: 5167-82 (2004) Daiichi Pharmaceutical Co. Ltd 2D 3D TSV
15456256 1 Effects of altering the electronics of 2-methoxyestradiol on cell proliferation, on cytotoxicity in human cancer cell cultures, and on tubulin polymerization.EBI J Med Chem 47: 5126-39 (2004) Purdue University 2D 3D TSV
15456254 60 Further structurally constrained analogues of cis-(6-benzhydrylpiperidin-3-yl)benzylamine with elucidation of bioactive conformation: discovery of 1,4-diazabicyclo[3.3.1]nonane derivatives and evaluation of their biological properties for the monoamine transporters.EBI J Med Chem 47: 5101-13 (2004) Wayne State University 2D 3D TSV
15456252 7 Identification and characterization of small molecule inhibitors of the calcium-dependent S100B-p53 tumor suppressor interaction.EBI J Med Chem 47: 5085-93 (2004) University of Maryland 2D 3D TSV
15456251 8 Soft docking and multiple receptor conformations in virtual screening.EBI J Med Chem 47: 5076-84 (2004) University of California-San Francisco 2D 3D TSV
15456250 54 Identification of a new scaffold for opioid receptor antagonism based on the 2-amino-1,1-dimethyl-7-hydroxytetralin pharmacophore.EBI J Med Chem 47: 5069-75 (2004) University of Bath 2D 3D TSV
15456249 22 Ketoamide-based inhibitors of cysteine protease, cathepsin K: P3 modifications.EBI J Med Chem 47: 5057-68 (2004) GlaxoSmithKline 2D 3D TSV
15456248 33 Potent and selective ketoamide-based inhibitors of cysteine protease, cathepsin K.EBI J Med Chem 47: 5049-56 (2004) GlaxoSmithKline 2D 3D TSV
15456246 251 Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.EBI J Med Chem 47: 5021-40 (2004) Wyeth Research 2D 3D TSV
15456245 44 Rationale, design, and synthesis of novel phenyl imidazoles as opioid receptor agonists for gastrointestinal disorders.EBI J Med Chem 47: 5009-20 (2004) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
15456244 25 Cyclohexylcarbamic acid 3'- or 4'-substituted biphenyl-3-yl esters as fatty acid amide hydrolase inhibitors: synthesis, quantitative structure-activity relationships, and molecular modeling studies.EBI J Med Chem 47: 4998-5008 (2004) Università degli Studi di Parma 2D 3D TSV
15456242 30 11beta-alkyl-Delta9-19-nortestosterone derivatives: high-affinity ligands and potent partial agonists of the androgen receptor.EBI J Med Chem 47: 4985-8 (2004) The Pennsylvania State University 2D 3D TSV
15454242 48 Identification of 2,3-diaryl-pyrazolo[1,5-b]pyridazines as potent and selective cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem Lett 14: 5445-8 (2004) GlaxoSmithKline 2D 3D TSV
15454240 57 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions.EBI Bioorg Med Chem Lett 14: 5435-9 (2004) Universit£ degli Studi di Firenze 2D 3D TSV
15454239 74 Carbonic anhydrase inhibitors: synthesis and inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with sulfonamides incorporating 1,2,4-triazine moieties.EBI Bioorg Med Chem Lett 14: 5427-33 (2004) Universit£ degli Studi di Firenze 2D 3D TSV
15454236 36 Small molecule antagonists of the CCR2b receptor. Part 2: Discovery process and initial structure-activity relationships of diamine derivatives.EBI Bioorg Med Chem Lett 14: 5413-6 (2004) Deltagen Research Laboratories 2D 3D TSV
15454235 29 Small molecule inhibitors of the CCR2b receptor. Part 1: Discovery and optimization of homopiperazine derivatives.EBI Bioorg Med Chem Lett 14: 5407-11 (2004) Institute for Bio-medical Research 2D 3D TSV
15454232 51 Novel, potent and selective anilinoquinazoline and anilinopyrimidine inhibitors of p38 MAP kinase.EBI Bioorg Med Chem Lett 14: 5389-94 (2004) AstraZeneca 2D 3D TSV
15454231 32 A novel series of p38 MAP kinase inhibitors for the potential treatment of rheumatoid arthritis.EBI Bioorg Med Chem Lett 14: 5383-7 (2004) AstraZeneca 2D 3D TSV
15454230 16 Camptothecin analogs with bulky, hydrophobic substituents at the 7-position via a Grignard reaction.EBI Bioorg Med Chem Lett 14: 5377-81 (2004) Research Triangle Institute 2D 3D TSV
15454229 86 Synthesis and activity of 1-aryl-1'-imidazolyl methyl ethers as non-thiol farnesyltransferase inhibitors.EBI Bioorg Med Chem Lett 14: 5371-6 (2004) Abbott Laboratories 2D 3D TSV
15454228 17 Design, synthesis, and activity of 4-quinolone and pyridone compounds as nonthiol-containing farnesyltransferase inhibitors.EBI Bioorg Med Chem Lett 14: 5367-70 (2004) Abbott Laboratories 2D 3D TSV
15454224 15 Novel histone deacetylase inhibitors: cyclic tetrapeptide with trifluoromethyl and pentafluoroethyl ketones.EBI Bioorg Med Chem Lett 14: 5343-6 (2004) CREST Research Project 2D 3D TSV
15454223 9 Three new compounds from the plant Lippia alva as inhibitors of chemokine receptor 5 (CCR5).EBI Bioorg Med Chem Lett 14: 5339-42 (2004) Schering Plough Research Institute 2D 3D TSV
15454222 6 HCV NS5B polymerase-bound conformation of a soluble sulfonamide inhibitor by 2D transferred NOESY.EBI Bioorg Med Chem Lett 14: 5333-7 (2004) ViroChem Pharma Inc. 2D 3D TSV
15454221 19 Allosteric potentiators of the metabotropic glutamate receptor 2 (mGlu2). Part 1: Identification and synthesis of phenyl-tetrazolyl acetophenones.EBI Bioorg Med Chem Lett 14: 5329-32 (2004) Merck Research Laboratories 2D 3D TSV
15454217 8 Substrate analogs for the investigation of deoxyxylulose 5-phosphate reductoisomerase inhibition: synthesis and evaluation.EBI Bioorg Med Chem Lett 14: 5309-12 (2004) Oregon State University 2D 3D TSV
15454215 6 More potent linear peptide inhibitors of mammalian ribonucleotide reductase.EBI Bioorg Med Chem Lett 14: 5301-4 (2004) University of Pennsylvania 2D 3D TSV
15454214 26 Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: SAR of the N-protecting group.EBI Bioorg Med Chem Lett 14: 5295-300 (2004) Maxim Pharmaceuticals 2D 3D TSV
15454212 16 Synthesis and structure-activity investigation of iodinated arylhydantoins and arylthiohydantoins for development as androgen receptor radioligands.EBI Bioorg Med Chem Lett 14: 5285-8 (2004) The University of Michigan Medical School 2D 3D TSV
15454211 19 Novel aryloxy-8-azabicyclo[3.2.1]oct-3-enes with 5-HT transporter and 5-HT1A affinity.EBI Bioorg Med Chem Lett 14: 5281-4 (2004) Wyeth Research 2D 3D TSV
15454210 36 Design and synthesis of 4-phenyl piperidine compounds targeting the mu receptor.EBI Bioorg Med Chem Lett 14: 5275-9 (2004) Purdue Pharma L.P. 2D 3D TSV
15454209 50 5-Amidinoindoles as dual inhibitors of coagulation factors IXa and Xa.BDB Bioorg Med Chem Lett 14: 5269-73 (2004) Bristol-Myers Squibb Company 2D 3D TSV
15454208 48 SAR and factor IXa crystal structure of a dual inhibitor of factors IXa and Xa.BDB Bioorg Med Chem Lett 14: 5263-7 (2004) Bristol-Myers Squibb Company 2D 3D TSV
15454206 1 Synthesis and structure-activity relationships of indole and benzimidazole piperazines as histamine H(4) receptor antagonists.EBI Bioorg Med Chem Lett 14: 5251-6 (2004) Istanbul University 2D 3D TSV
15454205 3 Synthesis and enzymatic evaluation of xanthine oxidase-activated prodrugs based on inhibitors of thymidine phosphorylase.EBI Bioorg Med Chem Lett 14: 5247-50 (2004) University of Manchester 2D 3D TSV
15449728 11 Design and synthesis of indole and tetrahydroisoquinoline hydantoin derivatives as human chymase inhibitors.BDB J Enzyme Inhib Med Chem 19: 137-43 (2004) Université de Tours 2D 3D TSV
15387673 3 Biscoumarin derivatives from Edgeworthia gardneri that inhibit the lyase activity of DNA polymerase beta.EBI J Nat Prod 67: 1608-10 (2004) University of Virginia 2D 3D TSV
15387654 3 BI-32169, a bicyclic 19-peptide with strong glucagon receptor antagonist activity from Streptomyces sp.EBI J Nat Prod 67: 1528-31 (2004) Boehringer Ingelheim Pharma GmbH and Co. KG 2D 3D TSV
15383632 15 Comparison of pharmacological activities of three distinct kappa ligands (Salvinorin A, TRK-820 and 3FLB) on kappa opioid receptors in vitro and their antipruritic and antinociceptive activities in vivo.BDB J Pharmacol Exp Ther 312: 220-30 (2005) Temple University 2D 3D TSV
15380233 46 Piperidine-containing beta-arylpropionic acids as potent antagonists of alphavbeta3/alphavbeta5 integrins.EBI Bioorg Med Chem Lett 14: 5227-32 (2004) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
15380232 52 Novel isoxazole carboxamides as growth hormone secretagogue receptor (GHS-R) antagonists.EBI Bioorg Med Chem Lett 14: 5223-6 (2004) Abbott Laboratories 2D 3D TSV
15380231 2 Facile incorporation of urea pseudopeptides into protease substrate analogue inhibitors.EBI Bioorg Med Chem Lett 14: 5219-22 (2004) Purdue University 2D 3D TSV
15380230 5 Synthesis and evaluation of 4-triazolylflavans as new aromatase inhibitors.EBI Bioorg Med Chem Lett 14: 5215-8 (2004) UPRES EA 1085 Biomolécules et Cibles Cellulaires Tumorales 2D 3D TSV
15380228 6 Synthesis and in vitro evaluation of (S)-2-([11C]methoxy)-4-[3-methyl-1-(2-piperidine-1-yl-phenyl)-butyl-carbamoyl]-benzoic acid ([11C]methoxy-repaglinide): a potential beta-cell imaging agent.EBI Bioorg Med Chem Lett 14: 5205-9 (2004) University of Mainz 2D 3D TSV
15380227 66 Design and evaluation of novel nonsteroidal dissociating glucocorticoid receptor ligands.EBI Bioorg Med Chem Lett 14: 5199-203 (2004) University of California--San Francisco 2D 3D TSV
15380224 12 Synthesis of 5a-carba-hexopyranoses and hexopyranosylamines, as well as 5a,5a'-dicarbadisaccharides, from 3,8-dioxatricyclo[4.2.1.0(2,4)]nonan-9-ol: glycosidase inhibitory activity of N-substituted 5a-carba-beta-gluco- and beta-galactopyranosylamines, and derivatives thereof.EBI Bioorg Med Chem Lett 14: 5183-8 (2004) Keio University 2D 3D TSV
15380221 58 Synthesis of anilino-monoindolylmaleimides as potent and selective PKCbeta inhibitors.EBI Bioorg Med Chem Lett 14: 5171-4 (2004) Central Pharmaceutical Research Institute 2D 3D TSV
15380218 40 N-[2-[2-(4-Phenylbutyl)benzofuran-4-yl]cyclopropylmethyl]acetamide: an orally bioavailable melatonin receptor agonist.EBI Bioorg Med Chem Lett 14: 5157-60 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15380217 87 Potent and selective proline derived dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 14: 5151-5 (2004) Merck & Co. Inc. 2D 3D TSV
15380212 46 Glycosylated dihydrochalcones as potent and selective sodium glucose co-transporter 2 (SGLT2) inhibitors.EBI Bioorg Med Chem Lett 14: 5121-5 (2004) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
15380210 18 Inhibition of lysosomal cysteine proteases by chrysotherapeutic compounds: a possible mechanism for the antiarthritic activity of Au(I).EBI Bioorg Med Chem Lett 14: 5113-6 (2004) University of Southern California 2D 3D TSV
15380206 37 Synthesis and activity of 2-[4-(4-[3H]-2-cyanophenyl)piperazinyl]-N-(2,4,6-[3H]3-3-methylphenyl)acetamide: a selective dopamine D4 receptor agonist and radioligand.EBI Bioorg Med Chem Lett 14: 5095-8 (2004) Abbott Laboratories 2D 3D TSV
15380204 7 Active site inhibitors of HCV NS5B polymerase. The development and pharmacophore of 2-thienyl-5,6-dihydroxypyrimidine-4-carboxylic acid.EBI Bioorg Med Chem Lett 14: 5085-8 (2004) MRL Rome 2D 3D TSV
15380203 3 Development of a polyvalent assay system for lead identification.EBI Bioorg Med Chem Lett 14: 5081-3 (2004) Wyeth Research 2D 3D TSV
15380202 85 4-Acylamino-and 4-ureidobenzamides as melanin-concentrating hormone (MCH) receptor 1 antagonists.EBI Bioorg Med Chem Lett 14: 5075-80 (2004) 7TM Pharma A/S 2D 3D TSV
15380200 12 5-Carboxamido-1,3,2-dioxaphosphorinanes, potent inhibitors of MTP.EBI Bioorg Med Chem Lett 14: 5067-70 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15380198 46 Synthesis and biological evaluation of 1-benzyl-5-(3-biphenyl-2-yl-propyl)-1H-imidazole as novel farnesyltransferase inhibitor.EBI Bioorg Med Chem Lett 14: 5057-62 (2004) Abbott Laboratories 2D 3D TSV
15380196 141 1,3-Dihydro-2,1,3-benzothiadiazol-2,2-diones and 3,4-dihydro-1H-2,1,3-benzothidiazin-2,2-diones as ligands for the NOP receptor.EBI Bioorg Med Chem Lett 14: 5045-50 (2004) Purdue Pharma LP 2D 3D TSV
15379553 32 Comparing the accumulation of active- and nonactive-site mutations in the HIV-1 protease.BDB Biochemistry 43: 12141-51 (2004) University of Florida College of Medicine 2D 3D TSV
15369402 32 Molecular design of cholesterols as inhibitors of DNA polymerase alpha.EBI J Med Chem 47: 4971-4 (2004) Frontier Research Center for Genome & Drug Discovery 2D 3D TSV
15369399 3 A locally active antiinflammatory macrolide (MLD987) for inhalation therapy of asthma.EBI J Med Chem 47: 4950-7 (2004) Novartis Institutes for BioMedical Research and Novartis Pharma Development 2D 3D TSV
15369398 19 Macrocyclic inhibitors for peptide deformylase: a structure-activity relationship study of the ring size.EBI J Med Chem 47: 4941-9 (2004) The Ohio State University 2D 3D TSV
15369392 22 Novel synthesis of 3,4-diarylisoxazole analogues of valdecoxib: reversal cyclooxygenase-2 selectivity by sulfonamide group removal.EBI J Med Chem 47: 4881-90 (2004) Università di Bari 2D 3D TSV
15369391 3 Novel cyclooxygenase-1 inhibitors discovered using affinity fingerprints.EBI J Med Chem 47: 4875-80 (2004) Telik, Inc. 2D 3D TSV
15369389 4 Conformationally constrained analogues of diacylglycerol (DAG). 23. Hydrophobic ligand-protein interactions versus ligand-lipid interactions of DAG-lactones with protein kinase C (PK-C).EBI J Med Chem 47: 4858-64 (2004) National Cancer Institute-Frederick 2D 3D TSV
15369386 11 Nonpeptide alphavbeta3 antagonists. Part 11: discovery and preclinical evaluation of potent alphavbeta3 antagonists for the prevention and treatment of osteoporosis.EBI J Med Chem 47: 4829-37 (2004) Merck Research Laboratories 2D 3D TSV
15369380 10 Nonpeptidic, noncovalent inhibitors of the cysteine protease cathepsin S.EBI J Med Chem 47: 4799-801 (2004) Johnson & Johnson Pharmaceutical Research and Development L.L.C. 2D 3D TSV
15368579 20 Bisubstrate inhibitors of the enzyme catechol O-methyltransferase (COMT): efficient inhibition despite the lack of a nitro group.BDB Chembiochem 5: 1270-4 (2004) Laboratorium für Organische Chemie 2D 3D TSV
15368573 28 Inhibition of Golgi mannosidase II with mannostatin A analogues: synthesis, biological evaluation, and structure-activity relationship studies.BDB Chembiochem 5: 1220-7 (2004) University of Georgia 2D 3D TSV
15359574 1 Transport characteristics of fexofenadine in the Caco-2 cell model.EBI Pharm Res 21: 1398-404 (2004) Uppsala University 2D 3D TSV
15357997 22 Non-peptide oxytocin agonists.EBI Bioorg Med Chem Lett 14: 4585-9 (2004) Ferring Research Ltd 2D 3D TSV
15357995 18 SAR and pharmacokinetic studies on phenethylamide inhibitors of the hepatitis C virus NS3/NS4A serine protease.EBI Bioorg Med Chem Lett 14: 4575-9 (2004) Merck Research Laboratories 2D 3D TSV
15357994 13 Possible differences in modes of agonist and antagonist binding at human 5-HT6 receptors.EBI Bioorg Med Chem Lett 14: 4569-73 (2004) Virginia Commonwealth University 2D 3D TSV
15357993 82 Carbonic anhydrase inhibitors. Inhibition of the beta-class enzyme from the methanoarchaeon Methanobacterium thermoautotrophicum (Cab) with anions.EBI Bioorg Med Chem Lett 14: 4563-7 (2004) Universit£ degli Studi di Firenze 2D 3D TSV
15357992 81 Discovery of new chemical leads for prostaglandin D2 receptor antagonists.EBI Bioorg Med Chem Lett 14: 4557-62 (2004) Minase Research Institute 2D 3D TSV
15357991 20 Design, synthesis, and biochemical evaluation of novel alpha V beta 3 integrin ligands.EBI Bioorg Med Chem Lett 14: 4553-5 (2004) 3-Dimensional Pharmaceuticals, Inc 2D 3D TSV
15357990 6 Synthesis and neurotrophic activity of nonimmunosuppressant cyclosporin A derivatives.EBI Bioorg Med Chem Lett 14: 4549-51 (2004) Guilford Pharmaceuticals Inc. 2D 3D TSV
15357988 87 Evaluation of pyrrolidin-2-imines and 1,3-thiazolidin-2-imines as inhibitors of nitric oxide synthase.EBI Bioorg Med Chem Lett 14: 4539-44 (2004) Merck Research Laboratory 2D 3D TSV
15357985 34 AL-12182, a novel 11-oxa prostaglandin analog with topical ocular hypotensive activity in the monkey.EBI Bioorg Med Chem Lett 14: 4525-8 (2004) Alcon Research, Ltd 2D 3D TSV
15357982 18 Substituted 6-phenyl-pyridin-2-ylamines: selective and potent inhibitors of neuronal nitric oxide synthase.EBI Bioorg Med Chem Lett 14: 4511-4 (2004) Pfizer Inc. 2D 3D TSV
15357981 44 Isoindolinone ureas: a novel class of KDR kinase inhibitors.BDB Bioorg Med Chem Lett 14: 4505-9 (2004) Abbott Laboratories 2D 3D TSV
15357980 4 The purine transferase from Trypanosoma cruzi as a potential target for bisphosphonate-based chemotherapeutic compounds.EBI Bioorg Med Chem Lett 14: 4501-4 (2004) Universidad de Buenos Aires 2D 3D TSV
15357973 24 Ligand conformation has a definitive effect on 5-HT1A and serotonin reuptake affinity.EBI Bioorg Med Chem Lett 14: 4467-70 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15357972 30 Synthesis and DP-IV inhibition of cyano-pyrazoline derivatives as potent anti-diabetic agents.EBI Bioorg Med Chem Lett 14: 4461-5 (2004) Korea Research Institute of Chemical Technology 2D 3D TSV
15357971 228 Synthesis and structure-activity relationship of a novel sulfone series of TNF-alpha converting enzyme inhibitors.EBI Bioorg Med Chem Lett 14: 4453-9 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15357970 26 Substituted benzylamino-6-(trifluoromethyl)pyrimidin-4(1H)-ones: a novel class of selective human A-FABP inhibitors.EBI Bioorg Med Chem Lett 14: 4449-52 (2004) Biovitrum AB 2D 3D TSV
15357969 45 Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target.EBI Bioorg Med Chem Lett 14: 4445-8 (2004) Biovitrum AB 2D 3D TSV
15357964 90 Structure-activity relationships of piperazinebenzylamines as potent and selective agonists of the human melanocortin-4 receptor.EBI Bioorg Med Chem Lett 14: 4417-23 (2004) Neurocrine Biosciences, Inc. 2D 3D TSV
15357963 16 Nonpeptide alpha V beta 3 antagonists. Part 9: Improved pharmacokinetic profile through the use of an aliphatic, des-amide backbone.EBI Bioorg Med Chem Lett 14: 4411-5 (2004) Merck Research Laboratories 2D 3D TSV
15357960 20 Identification of CJC-1131-albumin bioconjugate as a stable and bioactive GLP-1(7-36) analog.EBI Bioorg Med Chem Lett 14: 4395-8 (2004) ConjuChem Inc. 2D 3D TSV
15357957 29 Synthesis, receptor binding and functional studies of mesoridazine stereoisomers.EBI Bioorg Med Chem Lett 14: 4379-82 (2004) Brigham& Women's Hospital 2D 3D TSV
15357956 11 Discovery of potent and orally bioavailable N,N'-diarylurea antagonists for the CXCR2 chemokine receptor.EBI Bioorg Med Chem Lett 14: 4375-8 (2004) GlaxoSmithKline 2D 3D TSV
15356217 38 Heterologous expression of human {alpha}6{beta}4{beta}3{alpha}5 nicotinic acetylcholine receptors: binding properties consistent with their natural expression require quaternary subunit assembly including the {alpha}5 subunit.BDB J Pharmacol Exp Ther 312: 619-26 (2005) Targacept, Inc. 2D 3D TSV
15356216 48 Development of the first ultra-potent "capsaicinoid" agonist at transient receptor potential vanilloid type 1 (TRPV1) channels and its therapeutic potential.BDB J Pharmacol Exp Ther 312: 561-70 (2005) Farmaceutiche e Farmacologiche 2D 3D TSV
15355974 6 Crystal structure of avian aminoimidazole-4-carboxamide ribonucleotide transformylase in complex with a novel non-folate inhibitor identified by virtual ligand screening.BDB J Biol Chem 279: 50555-65 (2004) The Scripps Research Institute 2D 3D TSV
15341970 59 P4 and P1' optimization of bicycloproline P2 bearing tetrapeptidyl alpha-ketoamides as HCV protease inhibitors.EBI Bioorg Med Chem Lett 14: 5007-11 (2004) Lilly Research Laboratory 2D 3D TSV
15341968 13 Estrone formate: a novel type of irreversible inhibitor of human steroid sulfatase.EBI Bioorg Med Chem Lett 14: 4999-5002 (2004) Novartis Institutes for BioMedical Research GDC 2D 3D TSV
15341963 1 Synthesis of acyloxymethyl ester prodrugs of the transferable protein farnesyl transferase substrate farnesyl methylenediphosphonate.EBI Bioorg Med Chem Lett 14: 4979-82 (2004) University of Kentucky 2D 3D TSV
15341961 31 Synthesis and structure-activity relationships of uracil derived human GnRH receptor antagonists: (R)-3-[2-(2-amino)phenethyl]-1-(2,6-difluorobenzyl)-6-methyluracils containing a substituted thiophene or thiazole at C-5.EBI Bioorg Med Chem Lett 14: 4967-73 (2004) Neurocrine Biosciences Inc. 2D 3D TSV
15341957 9 The development of new bicyclic pyrazole-based cytokine synthesis inhibitors.EBI Bioorg Med Chem Lett 14: 4945-8 (2004) Procter and Gamble Pharmaceuticals 2D 3D TSV
15341955 52 Synthesis and evaluation of novel oxazoline MMP inhibitors.EBI Bioorg Med Chem Lett 14: 4935-9 (2004) North Dakota State University 2D 3D TSV
15341953 46 7-Substituted 2-phenyl-benzofurans as ER beta selective ligands.EBI Bioorg Med Chem Lett 14: 4925-9 (2004) Wyeth Research 2D 3D TSV
15341951 72 The identification and optimization of 2,4-diketobutyric acids as flap endonuclease 1 inhibitors.EBI Bioorg Med Chem Lett 14: 4915-8 (2004) Athersys, Inc. 2D 3D TSV
15341950 14 A new class of acyclic 2-alkyl-1,2-diaryl (E)-olefins as selective cyclooxygenase-2 (COX-2) inhibitors.EBI Bioorg Med Chem Lett 14: 4911-4 (2004) University of Alberta 2D 3D TSV
15341948 25 Synthesis of benzimidazole based analogues of sphingosine-1-phosphate: discovery of potent, subtype-selective S1P4 receptor agonists.EBI Bioorg Med Chem Lett 14: 4903-6 (2004) University of Virginia 2D 3D TSV
15341947 57 Potent and selective P2-P3 ketoamide inhibitors of cathepsin K with good pharmacokinetic properties via favorable P1', P1, and/or P3 substitutions.EBI Bioorg Med Chem Lett 14: 4897-902 (2004) GlaxoSmithKline 2D 3D TSV
15341946 92 Discovery of orally active prostaglandin D2 receptor antagonists.EBI Bioorg Med Chem Lett 14: 4891-5 (2004) Minase Research Institute 2D 3D TSV
15341944 21 Synthesis and evaluation of 2-amino-8-alkoxy quinolines as MCHr1 antagonists. Part 3.EBI Bioorg Med Chem Lett 14: 4883-6 (2004) Abbott Laboratories 2D 3D TSV
15341943 38 Synthesis and evaluation of 2-amino-8-alkoxy quinolines as MCHr1 antagonists. Part 2.EBI Bioorg Med Chem Lett 14: 4879-82 (2004) Abbott Laboratories 2D 3D TSV
15341942 57 Synthesis and evaluation of 2-amino-8-alkoxy quinolines as MCHr1 antagonists. Part 1.EBI Bioorg Med Chem Lett 14: 4873-7 (2004) Abbott Laboratories 2D 3D TSV
15341941 140 Identification of 4-piperazin-1-yl-quinazoline template based aryl and benzyl thioureas as potent, selective, and orally bioavailable inhibitors of platelet-derived growth factor (PDGF) receptor.EBI Bioorg Med Chem Lett 14: 4867-72 (2004) and In Vivo Sciences Millennium Pharmaceuticals, Inc. 2D 3D TSV
15341940 109 Design and synthesis of conformationally constrained 3-(N-alkylamino)propylphosphonic acids as potent agonists of sphingosine-1-phosphate (S1P) receptors.EBI Bioorg Med Chem Lett 14: 4861-6 (2004) Merck Research Laboratories 2D 3D TSV
15341938 6 Design and synthesis of 3'-ureidoadenosine-5'-uronamides: effects of the 3'-ureido group on binding to the A3 adenosine receptor.EBI Bioorg Med Chem Lett 14: 4851-4 (2004) Ewha Womans University 2D 3D TSV
15341937 39 N-(1-Benzylpyrrolidin-3-yl)arylbenzamides as potent and selective human dopamine D4 antagonists.EBI Bioorg Med Chem Lett 14: 4847-50 (2004) NPS Pharmaceuticals Inc. 2D 3D TSV
15341936 17 Modeling the binding affinities of beta-secretase inhibitors: application to subsite specificity.EBI Bioorg Med Chem Lett 14: 4843-6 (2004) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
15341935 138 End-capping of the modified melanocortin tetrapeptide (p-Cl)Phe-D-Phe-Arg-Trp-NH2 as a route to hMC4R agonists.EBI Bioorg Med Chem Lett 14: 4839-42 (2004) University of Cincinnati 2D 3D TSV
15341934 28 Triamino derivatives of triazolotriazine and triazolopyrimidine as adenosine A2a receptor antagonists.EBI Bioorg Med Chem Lett 14: 4835-8 (2004) Biogen Idec, Inc. 2D 3D TSV
15341933 40 Studies on adenosine A2a receptor antagonists: comparison of three core heterocycles.EBI Bioorg Med Chem Lett 14: 4831-4 (2004) Biogen Idec, Inc. 2D 3D TSV
15341931 15 Novel pyrazinone inhibitors of mast cell tryptase: synthesis and SAR evaluation.EBI Bioorg Med Chem Lett 14: 4819-23 (2004) Aventis Pharmaceuticals 2D 3D TSV
15341930 8 Inhibition of the strand transfer step of HIV-1 integrase by non-natural dinucleotides.EBI Bioorg Med Chem Lett 14: 4815-7 (2004) University of Georgia 2D 3D TSV
15341493 45 Design of 2,5-dimethyl-3-(6-dimethyl-4-methylpyridin-3-yl)-7-dipropylaminopyrazolo[1,5-a]pyrimidine (NBI 30775/R121919) and structure--activity relationships of a series of potent and orally active corticotropin-releasing factor receptor antagonists.EBI J Med Chem 47: 4787-98 (2004) Neurocrine Biosciences, Inc. 2D 3D TSV
15341492 7 Synthesis and biological activity of analogues of the antimicrotubule agent N,beta,beta-trimethyl-L-phenylalanyl-N(1)-[(1S,2E)-3-carboxy-1-isopropylbut-2-enyl]- N(1),3-dimethyl-L-valinamide (HTI-286).EBI J Med Chem 47: 4774-86 (2004) Wyeth Research 2D 3D TSV
15341491 62 2-Pyrazolyl-N(6)-substituted adenosine derivatives as high affinity and selective adenosine A(3) receptor agonists.EBI J Med Chem 47: 4766-73 (2004) CV Therapeutics Inc. 2D 3D TSV
15341490 10 Dipeptidomimetic ketomethylene isosteres as pro-moieties for drug transport via the human intestinal di-/tripeptide transporter hPEPT1: design, synthesis, stability, and biological investigations.EBI J Med Chem 47: 4755-65 (2004) University of Tromsø 2D 3D TSV
15341489 34 Design, synthesis, and biological evaluation of 1,2,3,7-tetrahydro-6h-purin-6-one and 3,7-dihydro-1h-purine-2,6-dione derivatives as corticotropin-releasing factor(1) receptor antagonists.EBI J Med Chem 47: 4741-54 (2004) Pharmaceutical Research Institute 2D 3D TSV
15341487 213 N-Phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amines as potent and selective inhibitors of glycogen synthase kinase 3 with good cellular efficacy.BDB J Med Chem 47: 4716-30 (2004) GlaxoSmithKline 2D 3D TSV
15341484 159 Synthesis and structure--activity relationship in a class of indolebutylpiperazines as dual 5-HT(1A) receptor agonists and serotonin reuptake inhibitors.EBI J Med Chem 47: 4684-92 (2004) Merck KGaA 2D 3D TSV
15341483 110 Indolebutylamines as selective 5-HT(1A) agonists.EBI J Med Chem 47: 4677-83 (2004) Merck KGaA 2D 3D TSV
15341479 36 Discovery of novel heteroarylazoles that are metabotropic glutamate subtype 5 receptor antagonists with anxiolytic activity.EBI J Med Chem 47: 4645-8 (2004) TBA 2D 3D TSV
15341478 13 Potent and orally bioavailable non-peptide antagonists at the human bradykinin B(1) receptor based on a 2-alkylamino-5-sulfamoylbenzamide core.EBI J Med Chem 47: 4642-4 (2004) TBA 2D 3D TSV
15341477 34 Virulence regulation and quorum sensing in staphylococcal infections: competitive AgrC antagonists as quorum sensing inhibitors.EBI J Med Chem 47: 4633-41 (2004) University of Nottingham 2D 3D TSV
15332844 8 Dysinosins B-D, inhibitors of factor VIIa and thrombin from the Australian sponge Lamellodysidea chlorea.EBI J Nat Prod 67: 1291-4 (2004) Griffith University 2D 3D TSV
15332838 2 An analysis of phakellin and oroidin structures stimulated by further study of an Agelas sponge.EBI J Nat Prod 67: 1256-61 (2004) University of California 2D 3D TSV
15331656 2 Intrinsic and acquired forms of resistance against the anticancer ruthenium compound KP1019 [indazolium trans-[tetrachlorobis(1H-indazole)ruthenate (III)] (FFC14A).EBI J Pharmacol Exp Ther 312: 281-9 (2004) Institute of Cancer Research 2D 3D TSV
15324907 2 Design and synthesis of substituted N-methylbenzamide analogues derived from SR 48,968 as neurokinin-2 receptor antagonists.EBI Bioorg Med Chem Lett 14: 4779-82 (2004) St. John's University 2D 3D TSV
15324906 54 The pharmacophore hypotheses of I(Kr) potassium channel blockers: novel class III antiarrhythmic agents.EBI Bioorg Med Chem Lett 14: 4771-7 (2004) China Pharmaceutical University 2D 3D TSV
15324904 52 Substituted piperazines as novel dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 14: 4763-6 (2004) Merck & Co. Inc. 2D 3D TSV
15324903 49 Discovery of potent and selective beta-homophenylalanine based dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 14: 4759-62 (2004) Merck & Co. 2D 3D TSV
15324899 83 Rational design of 6-methylsulfonylindoles as selective cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem Lett 14: 4741-5 (2004) Roche Palo Alto 2D 3D TSV
15324897 3 A novel cyclic enkephalin analogue with potent opioid antagonist activity.EBI Bioorg Med Chem Lett 14: 4731-3 (2004) Clinical Research Institute of Montreal 2D 3D TSV
15324896 71 3-Hydroxy-4-arylsulfonyltetrahydropyranyl-3-hydroxamic acids are novel inhibitors of MMP-13 and aggrecanase.EBI Bioorg Med Chem Lett 14: 4727-30 (2004) Pfizer Global Research and Development 2D 3D TSV
15324892 9 Long-chain formoterol analogues: an investigation into the effect of increasing amino-substituent chain length on the beta2-adrenoceptor activity.EBI Bioorg Med Chem Lett 14: 4705-10 (2004) Novartis Horsham Research Centre 2D 3D TSV
15324890 29 2-(Anilino)imidazolines and 2-(benzyl)imidazoline derivatives as h5-HT1D serotonin receptor ligands.EBI Bioorg Med Chem Lett 14: 4697-9 (2004) Virginia Commonwealth University 2D 3D TSV
15324887 2 Synthesis of cinnamic acid derivatives and their inhibitory effects on LDL-oxidation, acyl-CoA:cholesterol acyltransferase-1 and -2 activity, and decrease of HDL-particle size.EBI Bioorg Med Chem Lett 14: 4677-81 (2004) National Research Laboratory of Lipid Metabolism and Atherosclerosis 2D 3D TSV
15324885 56 Exploring QSAR with E-state index: selectivity requirements for COX-2 versus COX-1 binding of terphenyl methyl sulfones and sulfonamides.EBI Bioorg Med Chem Lett 14: 4665-70 (2004) Jadavpur University 2D 3D TSV
15324882 28 P1' oxadiazole protease inhibitors with excellent activity against native and protease inhibitor-resistant HIV-1.BDB Bioorg Med Chem Lett 14: 4651-4 (2004) Merck Research Laboratories 2D 3D TSV
15324879 12 Synthesis and evaluation of tacrine-E2020 hybrids as acetylcholinesterase inhibitors for the treatment of Alzheimer's disease.BDB Bioorg Med Chem Lett 14: 4639-42 (2004) Shanghai Institute of Materia Medica 2D 3D TSV
15324877 90 Spiroquinazolinones as novel, potent, and selective PDE7 inhibitors. Part 2: Optimization of 5,8-disubstituted derivatives.EBI Bioorg Med Chem Lett 14: 4627-31 (2004) Pfizer Global Research and Development 2D 3D TSV
15324876 94 Spiroquinazolinones as novel, potent, and selective PDE7 inhibitors. Part 1.EBI Bioorg Med Chem Lett 14: 4623-6 (2004) Pfizer Global Research and Development 2D 3D TSV
15324874 169 Discovery of thiadiazoles as a novel structural class of potent and selective PDE7 inhibitors. Part 1: design, synthesis and structure-activity relationship studies.EBI Bioorg Med Chem Lett 14: 4607-13 (2004) Pfizer Global Research and Development 2D 3D TSV
15324873 21 Synthesis of 1H-pyridin-2-one derivatives as potent and selective farnesyltransferase inhibitors.EBI Bioorg Med Chem Lett 14: 4603-6 (2004) Abbott Laboratories 2D 3D TSV
15322733 149 Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.BDB Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004) Vernalis Research 2D 3D TSV
15317471 42 New substituted piperazines as ligands for melanocortin receptors. Correlation to the X-ray structure of"THIQ".EBI J Med Chem 47: 4613-26 (2004) Uppsala University 2D 3D TSV
15317468 4 Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 2'-fluoro-3'-(substituted phenyl)deschloroepibatidine analogues. Novel nicotinic antagonist.EBI J Med Chem 47: 4588-94 (2004) Research Triangle Institute 2D 3D TSV
15317467 105 Synthesis, in vitro pharmacology, structure-activity relationships, and pharmacokinetics of 3-alkoxy-2-amino-6-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivatives as potent and selective group II metabotropic glutamate receptor antagonists.EBI J Med Chem 47: 4570-87 (2004) Taisho Pharmaceutical Co., Ltd. 2D 3D TSV
15317466 26 Bile acid derivatives as ligands of the farnesoid X receptor. Synthesis, evaluation, and structure-activity relationship of a series of body and side chain modified analogues of chenodeoxycholic acid.EBI J Med Chem 47: 4559-69 (2004) Universit£ di Perugia 2D 3D TSV
15317464 4 High-resolution structures of human aldose reductase holoenzyme in complex with stereoisomers of the potent inhibitor Fidarestat: stereospecific interaction between the enzyme and a cyclic imide type inhibitor.EBI J Med Chem 47: 4530-7 (2004) Monash University (Parkville Campus) 2D 3D TSV
15317463 16 Imidazoquinoxaline Src-family kinase p56Lck inhibitors: SAR, QSAR, and the discovery of (S)-N-(2-chloro-6-methylphenyl)-2-(3-methyl-1-piperazinyl)imidazo- [1,5-a]pyrido[3,2-e]pyrazin-6-amine (BMS-279700) as a potent and orally active inhibitor with excellent in vivo antiinflammatory activity.EBI J Med Chem 47: 4517-29 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15317461 53 Identification of 1,5-naphthyridine derivatives as a novel series of potent and selective TGF-beta type I receptor inhibitors.EBI J Med Chem 47: 4494-506 (2004) GlaxoSmithKline 2D 3D TSV
15317460 30 Inhibitors of phenylethanolamine N-methyltransferase that are predicted to penetrate the blood-brain barrier: design, synthesis, and evaluation of 3-fluoromethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinolines that possess low affinity toward the alpha2-adrenoceptor.EBI J Med Chem 47: 4483-93 (2004) University of Kansas 2D 3D TSV
15317459 46 Modulation of binding strength in several classes of active site inhibitors of acetylcholinesterase studied by comparative binding energy analysis.EBI J Med Chem 47: 4471-82 (2004) Universitat de Barcelona 2D 3D TSV
15317454 15 Discovery of potent antagonists of the antiapoptotic protein XIAP for the treatment of cancer.BDB J Med Chem 47: 4417-26 (2004) Abbott Laboratories 2D 3D TSV
15317453 12 Molecular recognition in purinergic receptors. 2. Diastereoselectivity of the h-P2Y1-receptor.EBI J Med Chem 47: 4405-16 (2004) Bar-Ilan University 2D 3D TSV
15317450 7 Determinants of retinoid X receptor transcriptional antagonism.EBI J Med Chem 47: 4360-72 (2004) Institute 2D 3D TSV
15313923 1 Mechanism of the pharmacokinetic interaction between methotrexate and benzimidazoles: potential role for breast cancer resistance protein in clinical drug-drug interactions.EBI Cancer Res 64: 5804-11 (2004) The Netherlands Cancer Institute 2D 3D TSV
15302680 1 In vitro and in vivo characterization of a novel naphthylamide ATP-sensitive K+ channel opener, A-151892.BDB Br J Pharmacol 143: 81-90 (2004) Abbott Laboratories 2D 3D TSV
15294002 18 Fluorescent pirenzepine derivatives as potential bitopic ligands of the human M1 muscarinic receptor.EBI J Med Chem 47: 4300-15 (2004) UMR CNRS/ULP 7081 2D 3D TSV
15294001 88 Piperazine derivatives of [1,2,4]triazolo[1,5-a][1,3,5]triazine as potent and selective adenosine A2a receptor antagonists.EBI J Med Chem 47: 4291-9 (2004) Biogen Idec, Inc. 2D 3D TSV
15294000 14 Identification of structurally diverse growth hormone secretagogue agonists by virtual screening and structure-activity relationship analysis of 2-formylaminoacetamide derivatives.EBI J Med Chem 47: 4286-90 (2004) Institute for Life Science Research 2D 3D TSV
15293998 25 2-(1-adamantyl)-4-(thio)chromenone-6-carboxylic acids: potent reversible inhibitors of human steroid sulfatase.EBI J Med Chem 47: 4268-76 (2004) Novartis Institute for Biomedical Research Vienna 2D 3D TSV
15293997 52 Three-dimensional quantitative structure-activity relationship analysis of a set of Plasmodium falciparum dihydrofolate reductase inhibitors using a pharmacophore generation approach.EBI J Med Chem 47: 4258-67 (2004) Università di Modena e Reggio Emilia 2D 3D TSV
15293996 6 Concise synthesis and structure-activity relationships of combretastatin A-4 analogues, 1-aroylindoles and 3-aroylindoles, as novel classes of potent antitubulin agents.EBI J Med Chem 47: 4247-57 (2004) National Health Research Institutes 2D 3D TSV
15293995 17 Design, synthesis, and biological evaluation of new cyclic disulfide decapeptides that inhibit the binding of AP-1 to DNA.EBI J Med Chem 47: 4239-46 (2004) Toyama Chemical Co., Ltd. 2D 3D TSV
15293993 172 Liver-selective glucocorticoid antagonists: a novel treatment for type 2 diabetes.EBI J Med Chem 47: 4213-30 (2004) Abbott Laboratories 2D 3D TSV
15293988 1 A nonpeptidic sulfonamide inhibits the p53-mdm2 interaction and activates p53-dependent transcription in mdm2-overexpressing cells.BDB J Med Chem 47: 4163-5 (2004) Virginia Commonwealth University 2D 3D TSV
15293986 65 Dopamine/serotonin receptor ligands. 9. Oxygen-containing midsized heterocyclic ring systems and nonrigidized analogues. A step toward dopamine D5 receptor selectivity.EBI J Med Chem 47: 4155-8 (2004) Friedrich-Schiller-Universität Jena 2D 3D TSV
15293985 33 Rational approaches to discovery of orally active and brain-penetrable quinazolinone inhibitors of poly(ADP-ribose)polymerase.EBI J Med Chem 47: 4151-4 (2004) Fujisawa Pharmaceutical Co., Ltd. 2D 3D TSV
15293984 11 Structure-based design, synthesis, and evaluation of conformationally constrained mimetics of the second mitochondria-derived activator of caspase that target the X-linked inhibitor of apoptosis protein/caspase-9 interaction site.BDB J Med Chem 47: 4147-50 (2004) University of Michigan 2D 3D TSV
15293983 3 Prospects for inhibitors of protein tyrosine phosphatase 1B as antidiabetic drugs.EBI J Med Chem 47: 4142-6 (2004) Serono Pharmaceutical Research Institute 2D 3D TSV
15293982 12 Dipeptidyl peptidase IV inhibitors for the treatment of diabetes.EBI J Med Chem 47: 4135-41 (2004) Merck Research Laboratories 2D 3D TSV
15293980 47 Peroxisome proliferator-activated receptor alpha/gamma dual agonists for the treatment of type 2 diabetes.EBI J Med Chem 47: 4118-27 (2004) GlaxoSmithKline 2D 3D TSV
15270564 1 New crinine-type alkaloids with inhibitory effect on induction of inducible nitric oxide synthase from Crinum yemense.EBI J Nat Prod 67: 1119-24 (2004) Mansoura University 2D 3D TSV
15270556 37 Sesquiterpenes and flavonol glycosides from Zingiber aromaticum and their CYP3A4 and CYP2D6 inhibitory activities.EBI J Nat Prod 67: 1079-83 (2004) Toyama Medical and Pharmaceutical University 2D 3D TSV
15267250 3 Structural studies on bioactive compounds. 39. Biological consequences of the structural modification of DHFR-inhibitory 2,4-diamino-6-(4-substituted benzylamino-3-nitrophenyl)-6-ethylpyrimidines ('benzoprims').EBI J Med Chem 47: 4105-8 (2004) University of Nottingham 2D 3D TSV
15267247 55 Phenylguanidines as selective nonpeptide melanocortin-5 receptor antagonists.EBI J Med Chem 47: 4083-8 (2004) Neurocrine Biosciences, Inc. 2D 3D TSV
15267245 10 Direct influence of C-terminally substituted amino acids in the Dmt-Tic pharmacophore on delta-opioid receptor selectivity and antagonism.EBI J Med Chem 47: 4066-71 (2004) University of Cagliary 2D 3D TSV
15267244 40 Probing the activity differences of simple and complex brominated aryl compounds against 15-soybean, 15-human, and 12-human lipoxygenase.EBI J Med Chem 47: 4060-5 (2004) University of California 2D 3D TSV
15267243 18 Discovery of the pyrrolo[2,1-f][1,2,4]triazine nucleus as a new kinase inhibitor template.EBI J Med Chem 47: 4054-9 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15267242 54 Synthesis and biological activity of new potential agonists for the human adenosine A2A receptor.EBI J Med Chem 47: 4041-53 (2004) IIQAB (CSIC) 2D 3D TSV
15267241 17 Synthesis and aromatase inhibitory activity of novel pyridine-containing isoflavones.BDB J Med Chem 47: 4032-40 (2004) Ohio State University 2D 3D TSV
15267236 72 Design, synthesis, and structure-activity relationship studies of 3,4,6-triphenylpyran-2-ones as selective cyclooxygenase-2 inhibitors.EBI J Med Chem 47: 3972-90 (2004) University of Alberta 2D 3D TSV
15267235 13 A virtual screening approach to finding novel and potent antagonists at the melanin-concentrating hormone 1 receptor.EBI J Med Chem 47: 3962-71 (2004) Argenta Discovery Ltd. 2D 3D TSV
15267232 65 Substituted 3-imidazo[1,2-a]pyridin-3-yl- 4-(1,2,3,4-tetrahydro-[1,4]diazepino-[6,7,1-hi]indol-7-yl)pyrrole-2,5-diones as highly selective and potent inhibitors of glycogen synthase kinase-3.EBI J Med Chem 47: 3934-7 (2004) Lilly Research Laboratories 2D 3D TSV
15267231 17 Discovery of a Subnanomolar helical D-tridecapeptide inhibitor of gamma-secretase.EBI J Med Chem 47: 3931-3 (2004) Harvard Medical School 2D 3D TSV
15267230 50 Novel 2-aminotetralin and 3-aminochroman derivatives as selective serotonin 5-HT7 receptor agonists and antagonists.EBI J Med Chem 47: 3927-30 (2004) Uppsala University 2D 3D TSV
15267228 20 Design, synthesis, and evaluation of sugar amino acid based inhibitors of protein prenyl transferases PFT and PGGT-1.EBI J Med Chem 47: 3920-3 (2004) Leiden University 2D 3D TSV
15261300 6 Synthesis, biophysical and biological evaluation of 3,6-bis-amidoacridines with extended 9-anilino substituents as potent G-quadruplex-binding telomerase inhibitors.EBI Bioorg Med Chem Lett 14: 4347-51 (2004) University of London School of Pharmacy 2D 3D TSV
15261298 23 Design and synthesis of novel Cdc25A-inhibitors having phosphate group as a hydrophilic residue.EBI Bioorg Med Chem Lett 14: 4339-42 (2004) The University of Tokyo 2D 3D TSV
15261297 18 P4 cap modified tetrapeptidyl alpha-ketoamides as potent HCV NS3 protease inhibitors.EBI Bioorg Med Chem Lett 14: 4333-8 (2004) Lilly Research Laboratory 2D 3D TSV
15261294 17 Potent inhibition of checkpoint kinase activity by a hymenialdisine-derived indoloazepine.EBI Bioorg Med Chem Lett 14: 4319-21 (2004) Michigan State University 2D 3D TSV
15261292 28 Synthesis and structure-activity relationships of 3,5-diarylisoxazoles and 3,5-diaryl-1,2,4-oxadiazoles, novel classes of small molecule interleukin-8 (IL-8) receptor antagonists.EBI Bioorg Med Chem Lett 14: 4307-11 (2004) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
15261290 19 A unidirectional crosslinking strategy for HIV-1 protease dimerization inhibitors.EBI Bioorg Med Chem Lett 14: 4297-300 (2004) Purdue University 2D 3D TSV
15261289 38 Rational design of potent and selective NH-linked aryl/heteroaryl cathepsin K inhibitors.EBI Bioorg Med Chem Lett 14: 4291-5 (2004) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
15261287 44 Structure-activity relationships of potent and selective factor Xa inhibitors: benzimidazole derivatives with the side chain oriented to the prime site of factor Xa.EBI Bioorg Med Chem Lett 14: 4281-6 (2004) Central Pharmaceutical Research Institute 2D 3D TSV
15261286 18 Acyl-CoA: cholesterol acyltransferase inhibitory activities of fatty acid amides isolated from Mylabris phalerate Pallas.EBI Bioorg Med Chem Lett 14: 4277-80 (2004) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
15261283 4 Pharmacological evaluation of selected arylpiperazines with atypical antipsychotic potential.EBI Bioorg Med Chem Lett 14: 4263-6 (2004) Institute for Biological Research 2D 3D TSV
15261280 34 Diaminopyrimidine and diaminopyridine 5-HT7 ligands.EBI Bioorg Med Chem Lett 14: 4249-52 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15261279 27 Aminotriazine 5-HT7 antagonists.EBI Bioorg Med Chem Lett 14: 4245-8 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15261277 30 Synthesis and biological activity of 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine CDK inhibitors.BDB Bioorg Med Chem Lett 14: 4237-40 (2004) Cyclacel Limited 2D 3D TSV
15261274 28 Identification of [(naphthalene-1-carbonyl)-amino]-acetic acid derivatives as nonnucleoside inhibitors of HCV NS5B RNA dependent RNA polymerase.EBI Bioorg Med Chem Lett 14: 4221-4 (2004) Wyeth Research 2D 3D TSV
15261273 7 Phenylethanolamine N-methyltransferase inhibition: re-evaluation of kinetic data.EBI Bioorg Med Chem Lett 14: 4217-20 (2004) University of Michigan 2D 3D TSV
15261270 7 Copper dipicolinates as peptidomimetic ligands for the Src SH2 domain.EBI Bioorg Med Chem Lett 14: 4203-6 (2004) Darmstadt Technical University 2D 3D TSV
15261269 35 Novel factor Xa inhibitors based on a 2-carboxyindole scaffold: SAR of P4 substituents in combination with a neutral P1 ligand.BDB Bioorg Med Chem Lett 14: 4197-201 (2004) Aventis Pharma Deutschland GmbH 2D 3D TSV
15261268 26 Factor Xa inhibitors based on a 2-carboxyindole scaffold: SAR of neutral P1 substituents.BDB Bioorg Med Chem Lett 14: 4191-5 (2004) Aventis Pharma Deutschland GmbH 2D 3D TSV
15261266 39 Bile acid conjugates of a nonsteroidal glucocorticoid receptor modulator.EBI Bioorg Med Chem Lett 14: 4179-83 (2004) Abbott Laboratories 2D 3D TSV
15261265 38 Synthesis, activity, metabolic stability, and pharmacokinetics of glucocorticoid receptor modulator-statin hybrids.EBI Bioorg Med Chem Lett 14: 4173-8 (2004) Abbott Laboratories 2D 3D TSV
15261264 47 Optimization and metabolic stabilization of a class of nonsteroidal glucocorticoid modulators.EBI Bioorg Med Chem Lett 14: 4169-72 (2004) Abbott Laboratories 2D 3D TSV
15261263 14 Synthesis and biological evaluation of pteridine and pyrazolopyrimidine based adenosine kinase inhibitors.EBI Bioorg Med Chem Lett 14: 4165-8 (2004) Abbott Laboratories 2D 3D TSV
15261262 10 Low molecular weight thrombin inhibitors with excellent potency, metabolic stability, and oral bioavailability.EBI Bioorg Med Chem Lett 14: 4161-4 (2004) Merck Research Laboratories 2D 3D TSV
15261259 48 Benzodiazepine inhibitors of the MMPs and TACE. Part 2.EBI Bioorg Med Chem Lett 14: 4147-51 (2004) Wyeth Research 2D 3D TSV
15256540 15 Characterization of the interaction of indiplon, a novel pyrazolopyrimidine sedative-hypnotic, with the GABAA receptor.BDB J Pharmacol Exp Ther 311: 537-46 (2004) Neurocrine Biosciences Inc. 2D 3D TSV
15246006 20 Fluorescence polarization assay and inhibitor design for MDM2/p53 interaction.BDB Anal Biochem 331: 138-46 (2004) Schering-Plough Research Institute 2D 3D TSV
15240100 12 Reversal of P-glycoprotein-mediated MDR by 5,7,3',4',5'-pentamethoxyflavone and SAR.EBI Biochem Biophys Res Commun 320: 672-9 (2004) Chosun University 2D 3D TSV
15239665 83 Synthesis and biological evaluation of 2-phenylpyran-4-ones: a new class of orally active cyclooxygenase-2 inhibitors.EBI J Med Chem 47: 3874-86 (2004) Rhône-Poulenc Rorer 2D 3D TSV
15239664 92 Synthesis and biological evaluation of a new class of geldanamycin derivatives as potent inhibitors of Hsp90.EBI J Med Chem 47: 3865-73 (2004) Conforma Therapeutics Corporation 2D 3D TSV
15239663 60 Discovery of 2-(4-pyridin-2-ylpiperazin-1-ylmethyl)-1H-benzimidazole (ABT-724), a dopaminergic agent with a novel mode of action for the potential treatment of erectile dysfunction.EBI J Med Chem 47: 3853-64 (2004) Abbott Laboratories 2D 3D TSV
15239661 120 Studies toward the discovery of the next generation of antidepressants. 3. Dual 5-HT1A and serotonin transporter affinity within a class of N-aryloxyethylindolylalkylamines.EBI J Med Chem 47: 3823-42 (2004) Wyeth Research 2D 3D TSV
15239657 30 Novel azapeptide inhibitors of hepatitis C virus serine protease.BDB J Med Chem 47: 3788-99 (2004) Boehringer Ingelheim (Canada) Ltd. 2D 3D TSV
15239652 22 Structure-based design, synthesis, and structure-activity relationship studies of novel non-nucleoside adenosine deaminase inhibitors.BDB J Med Chem 47: 3730-43 (2004) Fujisawa Pharmaceutical Co., Ltd. 2D 3D TSV
15239650 90 N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2.BDB J Med Chem 47: 3710-22 (2004) University of Newcastle 2D 3D TSV
15239649 24 New, non-adenosine, high-potency agonists for the human adenosine A2B receptor with an improved selectivity profile compared to the reference agonist N-ethylcarboxamidoadenosine.EBI J Med Chem 47: 3707-9 (2004) University of Leiden 2D 3D TSV
15225734 10 Structure-activity relationships of a novel series of melanin-concentrating hormone (MCH) receptor antagonists.EBI Bioorg Med Chem Lett 14: 4099-102 (2004) Argenta Discovery Limited 2D 3D TSV
15225731 2 Synthesis and biological evaluation of the major metabolite of atomoxetine: elucidation of a partial kappa-opioid agonist effect.EBI Bioorg Med Chem Lett 14: 4083-5 (2004) Johnson and Johnson Pharmaceutical 2D 3D TSV
15225729 5 Synthesis and antiviral activity of P1' arylsulfonamide azacyclic urea HIV protease inhibitors.EBI Bioorg Med Chem Lett 14: 4075-8 (2004) Abbott Laboratories 2D 3D TSV
15225728 55 A novel series of 2-pyridyl-containing compounds as lysophosphatidic acid receptor antagonists: development of a nonhydrolyzable LPA3 receptor-selective antagonist.EBI Bioorg Med Chem Lett 14: 4069-74 (2004) University of Virginia 2D 3D TSV
15225720 25 The synthesis and SAR of 2-arylsulfanyl-phenyl piperazinyl acetic acids as glyT-1 inhibitors.EBI Bioorg Med Chem Lett 14: 4027-30 (2004) H. Lundbeck A/S 2D 3D TSV
15225718 35 Synthesis and structure-activity relationships of novel IKK-beta inhibitors. Part 3: Orally active anti-inflammatory agents.EBI Bioorg Med Chem Lett 14: 4019-22 (2004) Kyoto 619-0216 2D 3D TSV
15225717 23 Synthesis and structure-activity relationships of novel IKK-beta inhibitors. Part 2: Improvement of in vitro activity.EBI Bioorg Med Chem Lett 14: 4013-7 (2004) Kyoto 619-0216 2D 3D TSV
15225716 26 Quantitative structure-activity relationship analysis of a series of 2,3-diaryl benzopyran analogues as novel selective cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem Lett 14: 4005-11 (2004) Devi Ahilya Vishwavidyalaya 2D 3D TSV
15225713 36 5-[(2-Methyl-1,3-thiazol-4-yl)ethynyl]-2,3'-bipyridine: a highly potent, orally active metabotropic glutamate subtype 5 (mGlu5) receptor antagonist with anxiolytic activity.EBI Bioorg Med Chem Lett 14: 3993-6 (2004) Merck Research Laboratories 2D 3D TSV
15225711 16 Aza-boronic acids as non-beta-lactam inhibitors of AmpC-beta-lactamase.EBI Bioorg Med Chem Lett 14: 3979-83 (2004) Università degli Studi di Modena e Reggio Emilia 2D 3D TSV
15225710 51 Rhodanine-3-acetic acid derivatives as inhibitors of fungal protein mannosyl transferase 1 (PMT1).EBI Bioorg Med Chem Lett 14: 3975-8 (2004) Oxfordshire OX14 4YS 2D 3D TSV
15225709 37 Lysine sulfonamides as novel HIV-protease inhibitors: Nepsilon-disubstituted ureas.BDB Bioorg Med Chem Lett 14: 3971-4 (2004) Procyon Biopharma Inc. 2D 3D TSV
15225708 32 Himbacine analogs as muscarinic receptor antagonists--effects of tether and heterocyclic variations.EBI Bioorg Med Chem Lett 14: 3967-70 (2004) Schering-Plough Research Institute 2D 3D TSV
15225707 42 Synthesis and radioiodination of selective ligands for the dopamine D3 receptor subtype.EBI Bioorg Med Chem Lett 14: 3963-6 (2004) University of Erlangen-Nuremberg 2D 3D TSV
15225705 19 Oxamides as novel NR2B selective NMDA receptor antagonists.EBI Bioorg Med Chem Lett 14: 3953-6 (2004) Gedeon Richter Ltd 2D 3D TSV
15225703 37 Design and synthesis of 3-(2-pyridyl)pyrazolo[1,5-a]pyrimidines as potent CRF1 receptor antagonists.EBI Bioorg Med Chem Lett 14: 3943-7 (2004) Neurocrine Biosciences, Inc. 2D 3D TSV
15225702 31 Definition of the heterocyclic pharmacophore of bacterial methionyl tRNA synthetase inhibitors: potent antibacterially active non-quinolone analogues.EBI Bioorg Med Chem Lett 14: 3937-41 (2004) GlaxoSmithKline 2D 3D TSV
15225701 18 Cinnamic acid esters as potent inhibitors of fungal 17beta-hydroxysteroid dehydrogenase--a model enzyme of the short-chain dehydrogenase/reductase superfamily.EBI Bioorg Med Chem Lett 14: 3933-6 (2004) University of Ljubljana 2D 3D TSV
15225699 27 Preparation of novel aza-1,7-annulated indoles and their conversion to potent indolocarbazole kinase inhibitors.BDB Bioorg Med Chem Lett 14: 3925-8 (2004) Lilly Research Laboratories 2D 3D TSV
15225695 64 4-Acylamino-6-arylfuro[2,3-d]pyrimidines: potent and selective glycogen synthase kinase-3 inhibitors.BDB Bioorg Med Chem Lett 14: 3907-11 (2004) Tsukuba Research Laboratories 2D 3D TSV
15225688 8 Privileged scaffolds for blocking protein-protein interactions: 1,4-disubstituted naphthalene antagonists of transcription factor complex HOX-PBX/DNA.EBI Bioorg Med Chem Lett 14: 3875-9 (2004) The State University of New York 2D 3D TSV
15225687 34 Synthesis of benzoylpyrimidines as antagonists of the corticotropin-releasing factor-1 receptor.EBI Bioorg Med Chem Lett 14: 3869-73 (2004) Neurocrine Bioscience, Inc. 2D 3D TSV
15225686 34 Estrogen receptor ligands. Part 8: Dihydrobenzoxathiin SERAMs with heteroatom-substituted side chains.EBI Bioorg Med Chem Lett 14: 3865-8 (2004) Merck Research Laboratories 2D 3D TSV
15225685 34 Estrogen receptor ligands. Part 7: Dihydrobenzoxathiin SERAMs with bicyclic amine side chains.EBI Bioorg Med Chem Lett 14: 3861-4 (2004) Merck Research Laboratories 2D 3D TSV
15217611 14 Structure-activity relationships in purine-based inhibitor binding to HSP90 isoforms.BDB Chem Biol 11: 775-85 (2004) Vernalis (R&D) Ltd 2D 3D TSV
15217290 4 Isolation and structure of antagonists of chemokine receptor (CCR5).EBI J Nat Prod 67: 1036-8 (2004) Merck Research Laboratories 2D 3D TSV
15217274 13 New neolignans that inhibit DNA polymerase beta lyase.EBI J Nat Prod 67: 964-7 (2004) Virginia Polytechnic Institute and State University 2D 3D TSV
15214795 43 Design, synthesis, and biological evaluation of 2,4-diamino-5-methyl-6-substituted-pyrrolo[2,3-d]pyrimidines as dihydrofolate reductase inhibitors.EBI J Med Chem 47: 3689-92 (2004) Duquesne University 2D 3D TSV
15214794 20 Mechanism of inactivation of beta-lactamases by novel 6-methylidene penems elucidated using electrospray ionization mass spectrometry.EBI J Med Chem 47: 3674-88 (2004) Wyeth Research 2D 3D TSV
15214791 147 Synthesis and biological evaluation of 3-heterocyclyl-7,8,9,10-tetrahydro-(7,10-ethano)-1,2,4-triazolo[3,4-a]phthalazines and analogues as subtype-selective inverse agonists for the GABA(A)alpha5 benzodiazepine binding site.EBI J Med Chem 47: 3642-57 (2004) Merck Sharp and Dohme Research Laboratories 2D 3D TSV
15214786 64 Development of potent bifunctional endomorphin-2 analogues with mixed mu-/delta-opioid agonist and delta-opioid antagonist properties.EBI J Med Chem 47: 3591-9 (2004) Kobe Gakuin University 2D 3D TSV
15214785 58 1,2,4-triazolo[4,3-a]quinoxalin-1-one moiety as an attractive scaffold to develop new potent and selective human A3 adenosine receptor antagonists: synthesis, pharmacological, and ligand-receptor modeling studies.EBI J Med Chem 47: 3580-90 (2004) Universit£ degli Studi di Firenze 2D 3D TSV
15214784 9 Computer-assisted design of selective imidazole inhibitors for cytochrome p450 enzymes.EBI J Med Chem 47: 3572-9 (2004) University of California 2D 3D TSV
15214782 36 Synthesis, biological activity, and three-dimensional quantitative structure-activity relationship model for a series of benzo[c]quinolizin-3-ones, nonsteroidal inhibitors of human steroid 5alpha-reductase 1.EBI J Med Chem 47: 3546-60 (2004) University of Florence 2D 3D TSV
15214781 30 Identification, synthesis, and characterization of new glycogen phosphorylase inhibitors binding to the allosteric AMP site.EBI J Med Chem 47: 3537-45 (2004) Novo Nordisk A/S 2D 3D TSV
15214778 8 Identification of non-phosphate-containing small molecular weight inhibitors of the tyrosine kinase p56 Lck SH2 domain via in silico screening against the pY + 3 binding site.EBI J Med Chem 47: 3502-11 (2004) University of Maryland 2D 3D TSV
15214776 17 Tiplaxtinin, a novel, orally efficacious inhibitor of plasminogen activator inhibitor-1: design, synthesis, and preclinical characterization.EBI J Med Chem 47: 3491-4 (2004) Wyeth Research 2D 3D TSV
15214774 28 3-(2-aminoalkyl)-1-(2,6-difluorobenzyl)-5- (2-fluoro-3-methoxyphenyl)-6-methyl-uracils as orally bioavailable antagonists of the human gonadotropin releasing hormone receptor.EBI J Med Chem 47: 3483-6 (2004) Neurocrine Biosciences Inc. 2D 3D TSV
15214773 76 Fragment-based drug discovery.EBI J Med Chem 47: 3463-82 (2004) Sunesis Pharmaceuticals Inc. 2D 3D TSV
15203170 7 Novel dual inhibitors of calpain and lipid peroxidation.EBI Bioorg Med Chem Lett 14: 3825-8 (2004) Institut Henri Beaufour 2D 3D TSV
15203165 80 Synthesis and structure-activity relationship of novel benzoxazole derivatives as melatonin receptor agonists.EBI Bioorg Med Chem Lett 14: 3799-802 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
15203164 38 Structure-affinity relationships of 5'-aromatic ethers and 5'-aromatic sulfides as partial A1 adenosine agonists, potential supraventricular anti-arrhythmic agents.EBI Bioorg Med Chem Lett 14: 3793-7 (2004) CV Therapeutics, Inc. 2D 3D TSV
15203161 18 (+)-3-[2-(Benzo[b]thiophen-2-yl)-2-oxoethyl]-1-azabicyclo[2.2.2]octane as potent agonists for the alpha7 nicotinic acetylcholine receptor.EBI Bioo