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16997560 2 A metabolically stable tight-binding transition-state inhibitor of glyoxalase-I.EBI Bioorg Med Chem Lett 16: 6039-42 (2006) University of Minnesota 2D 3D TSV
16997559 29 5-(1H-Benzimidazol-1-yl)-3-alkoxy-2-thiophenecarbonitriles as potent, selective, inhibitors of IKK-epsilon kinase.BDB Bioorg Med Chem Lett 16: 6236-40 (2006) GSK 2D 3D TSV
16997558 8 Polyoxometalates--a new class of potent ecto-nucleoside triphosphate diphosphohydrolase (NTPDase) inhibitors.EBI Bioorg Med Chem Lett 16: 5943-7 (2006) University of Bonn 2D 3D TSV
16997556 32 The development of 2-benzimidazole substituted pyrimidine based inhibitors of lymphocyte specific kinase (Lck).EBI Bioorg Med Chem Lett 16: 5973-7 (2006) Procter and Gamble Pharmaceuticals 2D 3D TSV
16996734 93 Adamantane 11-beta-HSD-1 inhibitors: Application of an isocyanide multicomponent reaction.EBI Bioorg Med Chem Lett 16: 5958-62 (2006) Abbott Laboratories 2D 3D TSV
16990005 11 Identification of 2-arylbenzimidazoles as potent human histamine H4 receptor ligands.BDB Bioorg Med Chem Lett 16: 6043-8 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16990002 45 Development of 6-substituted indolylquinolinones as potent Chek1 kinase inhibitors.EBI Bioorg Med Chem Lett 16: 5907-12 (2006) Merck Research Laboratories 2D 3D TSV
16990001 12 Synthesis and biological evaluation of 5-arylamino-6-chloro-1H-indazole-4,7-diones as inhibitors of protein kinase B/Akt.EBI Bioorg Med Chem Lett 16: 6001-5 (2006) ILDONG Pharmaceutical Co. Ltd. 2D 3D TSV
16989531 10 Taspine: bioactivity-guided isolation and molecular ligand-target insight of a potent acetylcholinesterase inhibitor from Magnolia x soulangiana.EBI J Nat Prod 69: 1341-6 (2006) Leopold Franzens-Universit£t 2D 3D TSV
16989524 3 Antidepressant principles of the roots of Polygala tenuifolia.EBI J Nat Prod 69: 1305-9 (2006) Medical and Pharmaceutical Industry Technology and Development Center 2D 3D TSV
16989522 7 Grandisines C-G, indolizidine alkaloids from the Australian rainforest tree Elaeocarpus grandis.EBI J Nat Prod 69: 1295-9 (2006) Griffith University 2D 3D TSV
16987662 74 Synthesis and SAR of GlyT1 inhibitors derived from a series of N-((4-(morpholine-4-carbonyl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamides.EBI Bioorg Med Chem Lett 16: 5968-72 (2006) Merck and Co. 2D 3D TSV
16987661 38 Synthesis and activity of novel bile-acid conjugated glucocorticoid receptor antagonists.EBI Bioorg Med Chem Lett 16: 6086-90 (2006) Abbott Laboratories 2D 3D TSV
16987657 45 A series of novel, potent, and selective histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 16: 5948-52 (2006) IRBM/Merck Research Laboratories 2D 3D TSV
16982193 26 Discovery of small molecule inhibitors of integrin alphavbeta3 through structure-based virtual screening.EBI Bioorg Med Chem Lett 16: 5878-82 (2006) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
16982192 8 Arylsulfonamides: a study of the relationship between activity and conformational preferences for a series of factor Xa inhibitors.BDB Bioorg Med Chem Lett 16: 5731-5 (2006) GlaxoSmithKline 2D 3D TSV
16982190 46 Structure- and property-based design of factor Xa inhibitors: pyrrolidin-2-ones with acyclic alanyl amides as P4 motifs.BDB Bioorg Med Chem Lett 16: 5953-7 (2006) GlaxoSmithKline 2D 3D TSV
16979341 59 Pyridine-2-propanoic acids: Discovery of dual PPARalpha/gamma agonists as antidiabetic agents.EBI Bioorg Med Chem Lett 16: 6116-9 (2006) Pfizer Global R&D 2D 3D TSV
16979340 14 Enzyme inhibition potency enhancement by active site metal chelating and hydrogen bonding induced conformation-restricted cyclopropanecarbonyl derivatives.EBI Bioorg Med Chem Lett 16: 6024-7 (2006) Tunghai University 2D 3D TSV
16979339 25 Synthesis and biological study of 4-aminopyrimidine-5-carboxaldehyde oximes as antiproliferative VEGFR-2 inhibitors.BDB Bioorg Med Chem Lett 16: 6063-6 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16978863 42 3-(Indol-2-yl)indazoles as Chek1 kinase inhibitors: Optimization of potency and selectivity via substitution at C6.BDB Bioorg Med Chem Lett 16: 6049-53 (2006) Merck Research Laboratories 2D 3D TSV
16973360 82 Structure-activity relationships for a novel series of thiazolyl phenyl ether derivatives exhibiting potent and selective acetyl-CoA carboxylase 2 inhibitory activity.EBI Bioorg Med Chem Lett 16: 6078-81 (2006) Abbott Laboratories 2D 3D TSV
16973359 38 Inhibition of Tpl2 kinase and TNFalpha production with quinoline-3-carbonitriles for the treatment of rheumatoid arthritis.EBI Bioorg Med Chem Lett 16: 6067-72 (2006) Wyeth Research 2D 3D TSV
16973358 113 Pyridine-3-propanoic acids: Discovery of dual PPARalpha/gamma agonists as antidiabetic agents.EBI Bioorg Med Chem Lett 16: 6120-3 (2006) Pfizer Global R&D 2D 3D TSV
16971122 4 Inhibitors of unactivated p38 MAP kinase.EBI Bioorg Med Chem Lett 16: 6102-6 (2006) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
16971120 104 Aminopyridine carboxamides as c-Jun N-terminal kinase inhibitors: targeting the gatekeeper residue and beyond.EBI Bioorg Med Chem Lett 16: 5723-30 (2006) Abbott Laboratories 2D 3D TSV
16971119 35 Identification and optimisation of 5-amino-7-aryldihydro-1,4-diazepines as 5-HT2A ligands.EBI Bioorg Med Chem Lett 16: 6058-62 (2006) Merck Sharp and Dohme 2D 3D TSV
16971117 33 Identification of non-furan containing A2A antagonists using database mining and molecular similarity approaches.EBI Bioorg Med Chem Lett 16: 5993-7 (2006) Vernalis (R&D) Ltd 2D 3D TSV
16970404 22 1-Aminomethylbenzocycloalkanes: conformationally restricted hallucinogenic phenethylamine analogues as functionally selective 5-HT2A receptor agonists.EBI J Med Chem 49: 5794-803 (2006) Purdue University 2D 3D TSV
16970403 74 Diphenyl phosphonate inhibitors for the urokinase-type plasminogen activator: optimization of the P4 position.EBI J Med Chem 49: 5785-93 (2006) University of Antwerp 2D 3D TSV
16970402 8 HIV-1 protease mutations and inhibitor modifications monitored on a series of complexes. Structural basis for the effect of the A71V mutation on the active site.EBI J Med Chem 49: 5777-84 (2006) Academy of Sciences of the Czech Republic 2D 3D TSV
16970400 14 Structural insights into the ATP binding pocket of the anaplastic lymphoma kinase by site-directed mutagenesis, inhibitor binding analysis, and homology modeling.EBI J Med Chem 49: 5759-68 (2006) University of Milano-Bicocca 2D 3D TSV
16970399 6 Synthesis of adenophostin A analogues conjugating an aromatic group at the 5'-position as potent IP3 receptor ligands.EBI J Med Chem 49: 5750-8 (2006) Hokkaido University 2D 3D TSV
16970397 24 Structurally simple, potent, Plasmodium selective farnesyltransferase inhibitors that arrest the growth of malaria parasites.BDB J Med Chem 49: 5710-27 (2006) Yale University 2D 3D TSV
16970395 14 Iminosugars as potential inhibitors of glycogenolysis: structural insights into the molecular basis of glycogen phosphorylase inhibition.EBI J Med Chem 49: 5687-701 (2006) The National Hellenic Research Foundation 2D 3D TSV
16970394 147 Discovery of aminoquinazolines as potent, orally bioavailable inhibitors of Lck: synthesis, SAR, and in vivo anti-inflammatory activity.EBI J Med Chem 49: 5671-86 (2006) Amgen, Inc. 2D 3D TSV
16970392 91 Identification of a novel 4-aminomethylpiperidine class of M3 muscarinic receptor antagonists and structural insight into their M3 selectivity.EBI J Med Chem 49: 5653-63 (2006) Tsukuba Research Institute 2D 3D TSV
16970391 88 Design and synthesis of dual peroxisome proliferator-activated receptors gamma and delta agonists as novel euglycemic agents with a reduced weight gain profile.EBI J Med Chem 49: 5649-52 (2006) Lilly Research Laboratories 2D 3D TSV
16970390 6 Fumarranol, a rearranged fumagillin analogue that inhibits angiogenesis in vivo.EBI J Med Chem 49: 5645-8 (2006) The Johns Hopkins University School of Medicine 2D 3D TSV
16963264 22 Discovery of potent, efficacious, and orally bioavailable inhibitors of blood coagulation factor Xa with neutral P1 moieties.BDB Bioorg Med Chem Lett 16: 5584-9 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16962773 8 Design, synthesis, and characterization of new embelin derivatives as potent inhibitors of X-linked inhibitor of apoptosis protein.BDB Bioorg Med Chem Lett 16: 5805-8 (2006) University of Michigan 2D 3D TSV
16962772 13 A novel series of imidazo[1,2-a]pyridine derivatives as HIF-1alpha prolyl hydroxylase inhibitors.EBI Bioorg Med Chem Lett 16: 5598-601 (2006) Procter and Gamble Pharmaceuticals, Inc. 2D 3D TSV
16962325 6 Identification of novel inhibitors of UDP-Glc 4'-epimerase, a validated drug target for african sleeping sickness.EBI Bioorg Med Chem Lett 16: 5744-7 (2006) University of Dundee 2D 3D TSV
16954316 38 Evaluation of the activities of pyrimethamine analogs against Plasmodium vivax and Plasmodium falciparum dihydrofolate reductase-thymidylate synthase using in vitro enzyme inhibition and bacterial complementation assays.BDB Antimicrob Agents Chemother 50: 3631-7 (2006) National Center for Genetic Engineering and Biotechnology at Thailand 2D 3D TSV
16951187 11 AMG 706, an oral, multikinase inhibitor that selectively targets vascular endothelial growth factor, platelet-derived growth factor, and kit receptors, potently inhibits angiogenesis and induces regression in tumor xenografts.BDB Cancer Res 66: 8715-21 (2006) Amgen 2D 3D TSV
16950620 36 N',2-diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists.EBI Bioorg Med Chem Lett 16: 5748-51 (2006) Merck Sharp& Dohme Research Laboratories 2D 3D TSV
16950617 50 N',2-diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists II.EBI Bioorg Med Chem Lett 16: 5752-6 (2006) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
16950396 13 Quantitative evaluation of each catalytic subsite of cathepsin B for inhibitory activity based on inhibitory activity-binding mode relationship of epoxysuccinyl inhibitors by X-ray crystal structure analyses of complexes.BDB J Mol Biol 362: 979-93 (2006) Osaka University of Pharmaceutical Sciences 2D 3D TSV
16949818 41 Potent antagonists of the Kv1.5 potassium channel: synthesis and evaluation of analogous N,N-diisopropyl-2-(pyridine-3-yl)acetamides.EBI Bioorg Med Chem Lett 16: 5897-901 (2006) Merck Research Laboratories 2D 3D TSV
16949285 18 Solid-phase combinatorial approach for the optimization of soluble epoxide hydrolase inhibitors.EBI Bioorg Med Chem Lett 16: 5773-7 (2006) University of California 2D 3D TSV
16949284 34 The synthesis and SAR of 2-amino-pyrrolo[2,3-d]pyrimidines: a new class of Aurora-A kinase inhibitors.BDB Bioorg Med Chem Lett 16: 5778-83 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16949282 12 Synthesis of 3,6-bis[H-Tyr/H-Dmt-NH(CH2)m,n]-2(1H)pyrazinone derivatives: function of alkyl chain length on opioid activity.EBI Bioorg Med Chem Lett 16: 5793-6 (2006) Kobe Gakuin University 2D 3D TSV
16945533 33 p38 MAP kinase inhibitors. Part 6: 2-arylpyridazin-3-ones as templates for inhibitor design.BDB Bioorg Med Chem Lett 16: 5809-13 (2006) Merck Research Laboratories 2D 3D TSV
16945532 8 Interaction of N1-unsubstituted and N1-benzenesulfonyltryptamines at h5-HT6 receptors.EBI Bioorg Med Chem Lett 16: 5832-5 (2006) Virginia Commonwealth University 2D 3D TSV
16945529 42 6-Hydroxy- and 6-methoxy-beta-carbolines as acetyl- and butyrylcholinesterase inhibitors.EBI Bioorg Med Chem Lett 16: 5840-3 (2006) Friedrich-Schiller-Universität Jena 2D 3D TSV
16945528 20 Sesquiterpene lactones are potent and irreversible inhibitors of the antibacterial target enzyme MurA.EBI Bioorg Med Chem Lett 16: 5605-9 (2006) Saarland University 2D 3D TSV
16945526 19 Novel thienopyrrole glycogen phosphorylase inhibitors: synthesis, in vitro SAR and crystallographic studies.EBI Bioorg Med Chem Lett 16: 5567-71 (2006) AstraZeneca 2D 3D TSV
16945525 32 Synthesis and in vitro pharmacological studies of new C(4)-modified salvinorin A analogues.EBI Bioorg Med Chem Lett 16: 5498-502 (2006) Harvard Medical School 2D 3D TSV
16942879 24 Synthesis and structure-activity relationships of 3-phenyl-2-propenamides as inhibitors of glycogen phosphorylase a.EBI Bioorg Med Chem Lett 16: 5892-6 (2006) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
16942878 8 Discovery and synthesis of tetrahydroindolone-derived carbamates as Kv1.5 blockers.EBI Bioorg Med Chem Lett 16: 5855-8 (2006) Procter and Gamble Pharmaceuticals 2D 3D TSV
16942875 32 A bioisosteric approach to the discovery of indole carbinol androgen receptor ligands.EBI Bioorg Med Chem Lett 16: 5646-9 (2006) Johnson and Johnson Pharmaceutical Research and Development L.L.C. 2D 3D TSV
16942874 10 Discovery and synthesis of tetrahydroindolone derived semicarbazones as selective Kv1.5 blockers.EBI Bioorg Med Chem Lett 16: 5859-63 (2006) Procter & Gamble Pharmaceuticals 2D 3D TSV
16942873 5 Synthesis and alpha4beta2 nicotinic affinity of unichiral 5-(2-pyrrolidinyl)oxazolidinones and 2-(2-pyrrolidinyl)benzodioxanes.EBI Bioorg Med Chem Lett 16: 5610-5 (2006) Universit£ di Milano 2D 3D TSV
16942871 38 Potent, selective pyrimidinetrione-based inhibitors of MMP-13.EBI Bioorg Med Chem Lett 16: 5822-6 (2006) Pfizer Global Research & Development 2D 3D TSV
16942040 12 New opioid designed multiple ligand from Dmt-Tic and morphinan pharmacophores.EBI J Med Chem 49: 5640-3 (2006) Harvard Medical School 2D 3D TSV
16942039 54 Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. 4. Opioid receptor binding properties of 8-[N-(4'-phenyl)-phenethyl)carboxamido] analogues of cyclazocine and ethylketocycalzocine.EBI J Med Chem 49: 5635-9 (2006) Rensselaer Polytechnic Institute 2D 3D TSV
16942034 19 Effect of lysine at C-terminus of the Dmt-Tic opioid pharmacophore.EBI J Med Chem 49: 5610-7 (2006) University of Cagliari 2D 3D TSV
16942033 19 Highly potent and selective phenylmorphan-based inverse agonists of the opioid delta receptor.EBI J Med Chem 49: 5597-609 (2006) Research Triangle Institute 2D 3D TSV
16942032 64 Stereochemical diversity-oriented conformational restriction strategy. Development of potent histamine H3 and/or H4 receptor antagonists with an imidazolylcyclopropane structure.EBI J Med Chem 49: 5587-96 (2006) Hokkaido University 2D 3D TSV
16942031 4 3-[5-(4,5-dihydro-1H-imidazol-2-yl)-furan-2-yl]phenylamine (Amifuraline), a promising reversible and selective peripheral MAO-A inhibitor.EBI J Med Chem 49: 5578-86 (2006) Università degli Studi di Camerino 2D 3D TSV
16942029 22 5'-O-tritylinosine and analogues as allosteric inhibitors of human thymidine phosphorylase.EBI J Med Chem 49: 5562-70 (2006) Instituto de Química Médica (C.S.I.C.) 2D 3D TSV
16942027 69 Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX.BDB J Med Chem 49: 5544-51 (2006) Istituto di Biostrutture e Bioimmagini-CNR 2D 3D TSV
16942026 27 Structure-activity relationships of uridine 5'-diphosphate analogues at the human P2Y6 receptor.EBI J Med Chem 49: 5532-43 (2006) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
16942022 20 Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge.EBI J Med Chem 49: 5491-500 (2006) Institute of Science 2D 3D TSV
16942020 12 Dissecting the determinants of cyclin-dependent kinase 2 and cyclin-dependent kinase 4 inhibitor selectivity.BDB J Med Chem 49: 5470-7 (2006) University of Oxford 2D 3D TSV
16942016 27 Comparison of the binding of 3-fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with their isosteric sulfonamides to the active site of phenylethanolamine N-methyltransferase.BDB J Med Chem 49: 5424-33 (2006) University of Kansas 2D 3D TSV
16942015 43 Uncompetitive antagonism of AMPA receptors: Mechanistic insights from studies of polyamine toxin derivatives.EBI J Med Chem 49: 5414-23 (2006) The Danish University of Pharmaceutical Sciences 2D 3D TSV
16942014 32 Homobivalent quinazolinimines as novel nanomolar inhibitors of cholinesterases with dirigible selectivity toward butyrylcholinesterase.EBI J Med Chem 49: 5411-3 (2006) Friedrich-Schiller-Universität Jena 2D 3D TSV
16942012 56 A structure-guided approach to an orthogonal estrogen-receptor-based gene switch activated by ligands suitable for in vivo studies.EBI J Med Chem 49: 5404-7 (2006) IRBM (Merck Research Laboratories Rome) 2D 3D TSV
16936720 11 Small-molecule activation of procaspase-3 to caspase-3 as a personalized anticancer strategy.BDB Nat Chem Biol 2: 543-50 (2006) University of Illinois 2D 3D TSV
16935302 1 Thermodynamic penalty arising from burial of a ligand polar group within a hydrophobic pocket of a protein receptor.BDB J Mol Biol 362: 994-1003 (2006) University of Leeds 2D 3D TSV
16934977 16 Epibatidine isomers and analogues: structure-activity relationships.EBI Bioorg Med Chem Lett 16: 5493-7 (2006) University of Leicester 2D 3D TSV
16934458 124 Identification of isothiazole-4-carboxamidines derivatives as a novel class of allosteric MEK1 inhibitors.EBI Bioorg Med Chem Lett 16: 5561-6 (2006) Valeant Pharmaceuticals Research & Development 2D 3D TSV
16934457 60 Development of pyrimidine-based inhibitors of Janus tyrosine kinase 3.EBI Bioorg Med Chem Lett 16: 5633-8 (2006) Procter and Gamble Pharmaceuticals 2D 3D TSV
16934456 36 N,N'-Diarylcyanoguanidines as antagonists of the CXCR2 and CXCR1 chemokine receptors.EBI Bioorg Med Chem Lett 16: 5513-6 (2006) GlaxoSmithKline 2D 3D TSV
16931332 49 Chemical probes of UDP-galactopyranose mutase.BDB Chem Biol 13: 825-37 (2006) University of Wisconsin-Madison 2D 3D TSV
16931013 138 Comparison between two classes of selective EP(3) antagonists and their biological activities.EBI Bioorg Med Chem Lett 16: 5639-42 (2006) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
16931012 61 Discovery and preliminary structure-activity relationship studies of novel benzotriazine based compounds as Src inhibitors.EBI Bioorg Med Chem Lett 16: 5546-50 (2006) TargeGen, Inc. 2D 3D TSV
16931011 36 3,4,5-Trisubstituted isoxazoles as novel PPARdelta agonists. Part 2.BDB Bioorg Med Chem Lett 16: 5488-92 (2006) GNF 2D 3D TSV
16931010 44 Inhibitory effect of carboxylic acid group on hERG binding.EBI Bioorg Med Chem Lett 16: 5507-12 (2006) Portola Pharmaceuticals, Inc. 2D 3D TSV
16931008 72 Design, synthesis, and biological evaluation of a new class of small molecule peptide mimetics targeting the melanocortin receptors.EBI Bioorg Med Chem Lett 16: 5462-7 (2006) University of Arizona 2D 3D TSV
16931007 20 Structure-based design, synthesis, and SAR evaluation of a new series of 8-hydroxyquinolines as HIF-1alpha prolyl hydroxylase inhibitors.EBI Bioorg Med Chem Lett 16: 5517-22 (2006) Procter and Gamble Pharmaceuticals Inc. 2D 3D TSV
16931005 21 Potent benzimidazolone based human beta(3)-adrenergic receptor agonists.EBI Bioorg Med Chem Lett 16: 5691-4 (2006) Lilly Research Laboratories 2D 3D TSV
16931004 29 Pyridone derivatives as potent, orally bioavailable VLA-4 integrin antagonists.BDB Bioorg Med Chem Lett 16: 5538-41 (2006) GlaxoSmithKline 2D 3D TSV
16931002 73 Discovery of orally active butyrolactam 11beta-HSD1 inhibitors.EBI Bioorg Med Chem Lett 16: 5555-60 (2006) Abbott Laboratories 2D 3D TSV
16931001 93 2,4-Disubstituted piperidines as selective CC chemokine receptor 3 (CCR3) antagonists: synthesis and selectivity.EBI Bioorg Med Chem Lett 16: 5695-9 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16920357 2 Design of inhibitors against guanase: synthesis and biochemical evaluation of analogues of azepinomycin.EBI Bioorg Med Chem Lett 16: 5551-4 (2006) University of Maryland 2D 3D TSV
16919960 27 Alpha-1-C-octyl-1-deoxynojirimycin as a pharmacological chaperone for Gaucher disease.BDB Bioorg Med Chem 14: 7736-44 (2006) Hokuriku University 2D 3D TSV
16919947 30 Design and synthesis of novel N-sulfonyl-2-indole carboxamides as potent PPAR-gamma binding agents with potential application to the treatment of osteoporosis.EBI Bioorg Med Chem Lett 16: 5659-63 (2006) Procter and Gamble Pharmaceuticals 2D 3D TSV
16919944 25 Anti-atherosclerotic and anti-inflammatory activities of catecholic xanthones and flavonoids isolated from Cudrania tricuspidata.EBI Bioorg Med Chem Lett 16: 5580-3 (2006) National Research Laboratory of Lipid Metabolism and Atherosclerosis 2D 3D TSV
16919943 4 Potent inhibitors of lipoprotein-associated phospholipase A(2): benzaldehyde O-heterocycle-4-carbonyloxime.EBI Bioorg Med Chem Lett 16: 5576-9 (2006) National Research Laboratory of Lipid Metabolism and Atherosclerosis 2D 3D TSV
16919941 8 Derivatives of 7-amino-1,2,3,4-tetrahydroisoquinoline and isophthalic acids as novel fibrinogen receptor antagonists.EBI Bioorg Med Chem Lett 16: 5294-7 (2006) A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine 2D 3D TSV
16919457 144 Discovery of potent, selective, and orally bioavailable oxadiazole-based dipeptidyl peptidase IV inhibitors.BDB Bioorg Med Chem Lett 16: 5373-7 (2006) Merck Research Laboratories 2D 3D TSV
16919456 61 2-Aminoquinoline melanin-concentrating hormone (MCH)1R antagonists.EBI Bioorg Med Chem Lett 16: 5270-4 (2006) Merck Research Laboratories 2D 3D TSV
16919455 13 Chemical transformations of oxyresveratrol (trans-2,4,3',5'-tetrahydroxystilbene) into a potent tyrosinase inhibitor and a strong cytotoxic agent.EBI Bioorg Med Chem Lett 16: 5650-3 (2006) Chulalongkorn University 2D 3D TSV
16919453 100 4-Aminoquinoline melanin-concentrating hormone 1-receptor (MCH1R) antagonists.EBI Bioorg Med Chem Lett 16: 5275-9 (2006) Merck Research Laboratories 2D 3D TSV
16916797 8 Structural basis for inhibition of protein-tyrosine phosphatase 1B by isothiazolidinone heterocyclic phosphonate mimetics.BDB J Biol Chem 281: 32784-95 (2006) Incyte Corporation 2D 3D TSV
16915381 31 WAY-100635 is a potent dopamine D4 receptor agonist.BDB Psychopharmacology (Berl) 188: 244-51 (2006) Purdue University 2D 3D TSV
16913729 9 Replacement of the N-terminal tyrosine residue in opioid peptides with 3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid (Dcp) results in novel opioid antagonists.EBI J Med Chem 49: 5382-5 (2006) National University of Singapore 2D 3D TSV
16913726 33 Novel pyrazolopyrimidopyridazinones with potent and selective phosphodiesterase 5 (PDE5) inhibitory activity as potential agents for treatment of erectile dysfunction.EBI J Med Chem 49: 5363-71 (2006) Università di Firenze 2D 3D TSV
16913725 33 7'-substituted benzothiazolothio- and pyridinothiazolothio-purines as potent heat shock protein 90 inhibitors.BDB J Med Chem 49: 5352-62 (2006) Conforma Therapeutics Corporation 2D 3D TSV
16913724 17 Design and discovery of a novel dipeptidyl-peptidase IV (CD26)-based prodrug approach.EBI J Med Chem 49: 5339-51 (2006) Instituto de Química Médica (C.S.I.C.) 2D 3D TSV
16913723 78 Structural determinants of opioid activity in derivatives of 14-aminomorphinones: effect of substitution in the aromatic ring of cinnamoylaminomorphinones and codeinones.EBI J Med Chem 49: 5333-8 (2006) University of Bristol 2D 3D TSV
16913721 11 Replacement of the metabolically labile methyl esters in the alkenyldiarylmethane series of non-nucleoside reverse transcriptase inhibitors with isoxazolone, isoxazole, oxazolone, or cyano substituents.EBI J Med Chem 49: 5316-23 (2006) Purdue University 2D 3D TSV
16913720 15 Phosphonothioate and fluoromethylene phosphonate analogues of cyclic phosphatidic acid: Novel antagonists of lysophosphatidic acid receptors.EBI J Med Chem 49: 5309-15 (2006) The University of Utah 2D 3D TSV
16913717 42 Synthesis, calpain inhibitory activity, and cytotoxicity of P2-substituted proline and thiaproline peptidyl aldehydes and peptidyl alpha-ketoamides.EBI J Med Chem 49: 5282-90 (2006) The University of Tennessee Health Science Center 2D 3D TSV
16913716 15 Synthesis and structure-activity relationships of truncated bisubstrate inhibitors of aminoglycoside 6'-N-acetyltransferases.EBI J Med Chem 49: 5273-81 (2006) McGill University 2D 3D TSV
16913714 4 Structure-Based Design of Novel HIV-1 Protease Inhibitors To Combat Drug Resistance.BDB J Med Chem 49: 5252-61 (2006) Purdue University 2D 3D TSV
16913712 21 Novel small-molecule inhibitors of anthrax lethal factor identified by high-throughput screening.BDB J Med Chem 49: 5232-44 (2006) Montana State University 2D 3D TSV
16913710 18 Binding of sulfonyl-containing arylalkylamines at human 5-HT6 serotonin receptors.EBI J Med Chem 49: 5217-25 (2006) Virginia Commonwealth University 2D 3D TSV
16913704 21 Structure-based drug design and structural biology study of novel nonpeptide inhibitors of severe acute respiratory syndrome coronavirus main protease.BDB J Med Chem 49: 5154-61 (2006) National Defense Medical Center 2D 3D TSV
16913703 2 Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations.EBI J Med Chem 49: 5141-53 (2006) University of Cambridge 2D 3D TSV
16913701 8 N1-Benzoyl-N2-[1-(1-naphthyl)ethyl]-trans-1,2-diaminocyclohexanes: Development of 4-chlorophenylcarboxamide (calhex 231) as a new calcium sensing receptor ligand demonstrating potent calcilytic activity.EBI J Med Chem 49: 5119-28 (2006) CNRS 2D 3D TSV
16913699 372 1-aryl-3-(4-pyridine-2-ylpiperazin-1-yl)propan-1-one oximes as potent dopamine D4 receptor agonists for the treatment of erectile dysfunction.EBI J Med Chem 49: 5093-109 (2006) Abbott Laboratories 2D 3D TSV
16913695 12 Structural determinants of Torpedo californica acetylcholinesterase inhibition by the novel and orally active carbamate based anti-alzheimer drug ganstigmine (CHF-2819).BDB J Med Chem 49: 5051-8 (2006) Istituto di Cristallografia 2D 3D TSV
16913694 46 Low molecular weight activated protein C inhibitors as a potential treatment for hemophilic disorders.EBI J Med Chem 49: 5047-50 (2006) Institut de Recherches Servier 2D 3D TSV
16908151 24 Synthesis and monoamine transporter affinity of 2beta-carbomethoxy-3beta-(4'-p-substituted phenyl)-piperidine analogs of cocaine.EBI Bioorg Med Chem Lett 16: 5222-5 (2006) Yale University 2D 3D TSV
16908150 59 Ureas with histamine H3-antagonist receptor activity--a new scaffold discovered by lead-hopping from cinnamic acid amides.EBI Bioorg Med Chem Lett 16: 5303-8 (2006) Novo Nordisk A/S 2D 3D TSV
16908149 16 Design and synthesis of substituted pyridine derivatives as HIF-1alpha prolyl hydroxylase inhibitors.EBI Bioorg Med Chem Lett 16: 5616-20 (2006) Procter and Gamble Pharmaceuticals 2D 3D TSV
16908148 6 Application of azide-alkyne cycloaddition 'click chemistry' for the synthesis of Grb2 SH2 domain-binding macrocycles.EBI Bioorg Med Chem Lett 16: 5265-9 (2006) NIH 2D 3D TSV
16908145 14 Design and synthesis of a series of novel pyrazolopyridines as HIF-1alpha prolyl hydroxylase inhibitors.EBI Bioorg Med Chem Lett 16: 5687-90 (2006) Procter and Gamble Pharmaceuticals Inc 2D 3D TSV
16908138 32 Improved replicon cellular activity of non-nucleoside allosteric inhibitors of HCV NS5B polymerase: from benzimidazole to indole scaffolds.EBI Bioorg Med Chem Lett 16: 4987-93 (2006) Boehringer Ingelheim 2D 3D TSV
16908134 98 Peptidyl-urea based inhibitors of soluble epoxide hydrolases.EBI Bioorg Med Chem Lett 16: 5439-44 (2006) University of California 2D 3D TSV
16905319 6 Farnesoid X-activated receptor antagonists from a marine sponge Spongia sp.EBI Bioorg Med Chem Lett 16: 5398-402 (2006) Seoul National University 2D 3D TSV
16905316 42 Des-keto lobeline analogs with increased potency and selectivity at dopamine and serotonin transporters.EBI Bioorg Med Chem Lett 16: 5018-21 (2006) University of Kentucky 2D 3D TSV
16904318 35 Novel benzimidazole-based MCH R1 antagonists.EBI Bioorg Med Chem Lett 16: 4994-5000 (2006) GlaxoSmithKline 2D 3D TSV
16904316 16 New, potent P1/P2-morpholinone-based HIV-protease inhibitors.BDB Bioorg Med Chem Lett 16: 5226-30 (2006) GlaxoSmithKline 2D 3D TSV
16899369 16 Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors.BDB Bioorg Med Chem 14: 7392-403 (2006) University of Florence 2D 3D TSV
16899366 85 Synthesis and biological evaluation of heterocycle containing adamantane 11beta-HSD1 inhibitors.EBI Bioorg Med Chem Lett 16: 5414-9 (2006) Abbott Laboratories 2D 3D TSV
16893647 1 Synthesis and biological evaluation of benzamides and benzamidines as selective inhibitors of VEGFR tyrosine kinases.EBI Bioorg Med Chem Lett 16: 5127-31 (2006) Gakushuin University 2D 3D TSV
16892344 13 Synthesis and structure-activity relationships of FAAH inhibitors: cyclohexylcarbamic acid biphenyl esters with chemical modulation at the proximal phenyl ring.BDB ChemMedChem 1: 130-9 (2006) Universitŗ degli Studi di Parma 2D 3D TSV
16892342 10 Unexpected novel binding mode of pyrrolidine-based aspartyl protease inhibitors: design, synthesis and crystal structure in complex with HIV protease.BDB ChemMedChem 1: 106-17 (2006) Philipps-Universitšt Marburg 2D 3D TSV
16892341 8 Selective indole-based ECE inhibitors: synthesis and pharmacological evaluation.BDB ChemMedChem 1: 96-105 (2006) Bayer HealthCare AG 2D 3D TSV
16891117 5 Synthesis, radiolabeling, and in vivo evaluation of an 18F-labeled isatin analog for imaging caspase-3 activation in apoptosis.EBI Bioorg Med Chem Lett 16: 5041-6 (2006) Washington University School of Medicine 2D 3D TSV
16890436 3 Aza-stilbenes as potent and selective c-RAF inhibitors.EBI Bioorg Med Chem Lett 16: 5378-83 (2006) GlaxoSmithKline 2D 3D TSV
16890434 64 Novel C-3 N-urea, amide, and carbamate dihydroindazolo[5,4-a]pyrrolo[3,4-c]carbazole analogs as potent TIE-2 and VEGF-R2 dual inhibitors.EBI Bioorg Med Chem Lett 16: 5368-72 (2006) Cephalon, Inc. 2D 3D TSV
16890433 3 Synthesis of N1-arylidene-N2-quinolyl- and N2-acrydinylhydrazones as potent antimalarial agents active against CQ-resistant P. falciparum strains.EBI Bioorg Med Chem Lett 16: 5384-8 (2006) Universit£ di Siena 2D 3D TSV
16890427 81 Synthesis and structural activity relationship of 11beta-HSD1 inhibitors with novel adamantane replacements.EBI Bioorg Med Chem Lett 16: 5408-13 (2006) Abbott Laboratories 2D 3D TSV
16889961 27 Novel aminobenzimidazoles as selective MCH-R1 antagonists for the treatment of metabolic diseases.EBI Bioorg Med Chem Lett 16: 5427-31 (2006) Schering-Plough Research Institute 2D 3D TSV
16889960 56 1-Alkyl-2-aryl-4-(1-naphthoyl)pyrroles: new high affinity ligands for the cannabinoid CB1 and CB2 receptors.EBI Bioorg Med Chem Lett 16: 5432-5 (2006) Clemson University 2D 3D TSV
16889959 86 Benzodiazepine calcitonin gene-related peptide (CGRP) receptor antagonists: optimization of the 4-substituted piperidine.EBI Bioorg Med Chem Lett 16: 5052-6 (2006) Merck Research Laboratories 2D 3D TSV
16887348 72 Solid-phase synthesis and structure-activity relationships of novel biarylethers as melanin-concentrating hormone receptor-1 antagonists.EBI Bioorg Med Chem Lett 16: 5066-72 (2006) Amgen Inc. 2D 3D TSV
16887347 88 Novel tricyclic azepine derivatives: Biological evaluation of pyrimido[4,5-b]-1,4-benzoxazepines, thiazepines, and diazepines as inhibitors of the epidermal growth factor receptor tyrosine kinase.EBI Bioorg Med Chem Lett 16: 5102-6 (2006) ImClone Systems Inc 2D 3D TSV
16884314 4 Novel methylenephosphophosphonate analogues of mycophenolic adenine dinucleotide. Inhibition of inosine monophosphate dehydrogenase.EBI J Med Chem 49: 5018-22 (2006) University of Minnesota 2D 3D TSV
16884313 9 NMR structure of a potent small molecule inhibitor bound to human keratinocyte fatty acid-binding protein.EBI J Med Chem 49: 5013-7 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16884312 3 Synthesis of anthranylaldoxime derivatives as estrogen receptor ligands and computational prediction of binding modes.EBI J Med Chem 49: 5001-12 (2006) Università di Pisa 2D 3D TSV
16884311 18 Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods.EBI J Med Chem 49: 4992-5000 (2006) University Chemical Laboratory 2D 3D TSV
16884310 97 Novel 2-aminopyrimidine carbamates as potent and orally active inhibitors of Lck: synthesis, SAR, and in vivo antiinflammatory activity.BDB J Med Chem 49: 4981-91 (2006) Amgen 2D 3D TSV
16884309 5 Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor.BDB J Med Chem 49: 4971-80 (2006) TaiGen Biotechnology Co. 2D 3D TSV
16884305 5 Design of inhibitors of orotidine monophosphate decarboxylase using bioisosteric replacement and determination of inhibition kinetics.EBI J Med Chem 49: 4937-45 (2006) University of Toronto 2D 3D TSV
16884303 27 Structural insights into monoamine oxidase inhibitory potency and selectivity of 7-substituted coumarins from ligand- and target-based approaches.EBI J Med Chem 49: 4912-25 (2006) Universit£ di Bari 2D 3D TSV
16884302 209 4-Phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione inhibitors of the checkpoint kinase Wee1. Structure-activity relationships for chromophore modification and phenyl ring substitution.EBI J Med Chem 49: 4896-911 (2006) University of Auckland 2D 3D TSV
16884299 18 Brunsvicamides A-C: sponge-related cyanobacterial peptides with Mycobacterium tuberculosis protein tyrosine phosphatase inhibitory activity.EBI J Med Chem 49: 4871-8 (2006) University of Bonn 2D 3D TSV
16884297 2 Inhibition of kinesin motor proteins by adociasulfate-2.EBI J Med Chem 49: 4857-60 (2006) University of Georgia 2D 3D TSV
16884295 48 Structure-activity relationships of [2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]- 3'-spiro-5' '-(4' '-amino-1' ',2' '-oxathiole-2' ',2' '-dioxide)thymine derivatives as inhibitors of HIV-1 reverse transcriptase dimerization.EBI J Med Chem 49: 4834-41 (2006) University of Pittsburgh School of Medicine 2D 3D TSV
16884291 12 Highly potent and selective histone deacetylase 6 inhibitors designed based on a small-molecular substrate.EBI J Med Chem 49: 4809-12 (2006) Nagoya City University 2D 3D TSV
16884290 13 Accurate prediction of the relative potencies of members of a series of kinase inhibitors using molecular docking and MM-GBSA scoring.EBI J Med Chem 49: 4805-8 (2006) AstraZeneca R&D Boston 2D 3D TSV
16884289 26 Novel, orally bioavailable gamma-aminoamide CC chemokine receptor 2 (CCR2) antagonists.EBI J Med Chem 49: 4801-4 (2006) Merck Research Laboratories 2D 3D TSV
16879966 40 Inhibition of HIV-1 integrase activity by synthetic peptides derived from the HIV-1 HXB2 Pol region of the viral genome.EBI Bioorg Med Chem Lett 16: 5199-202 (2006) University of Southern California 2D 3D TSV
16879964 60 A novel class of AMPA receptor allosteric modulators. Part 1: design, synthesis, and SAR of 3-aryl-4-cyano-5-substituted-heteroaryl-2-carboxylic acid derivatives.EBI Bioorg Med Chem Lett 16: 5057-61 (2006) Lilly S.A. 2D 3D TSV
16879962 36 Identification of potent agonists of photoreceptor-specific nuclear receptor (NR2E3) and preparation of a radioligand.EBI Bioorg Med Chem Lett 16: 5001-4 (2006) Merck & Co. 2D 3D TSV
16879961 49 Identification of substituted 4-aminopiperidines and 3-aminopyrrolidines as potent MCH-R1 antagonists for the treatment of obesity.EBI Bioorg Med Chem Lett 16: 5445-50 (2006) Procter and Gamble Pharmaceuticals 2D 3D TSV
16876993 192 Synthesis and evaluation of anilinohexafluoroisopropanols as activators/modulators of LXRalpha and beta.EBI Bioorg Med Chem Lett 16: 5231-7 (2006) F. Hoffmann-La Roche Ltd. 2D 3D TSV
16876411 17 Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa.EBI Bioorg Med Chem Lett 16: 5022-7 (2006) Daiichi Asubio Medical Research Laboratories, LLC 2D 3D TSV
16876407 52 Arylaminoethyl carbamates as a novel series of potent and selective cathepsin S inhibitors.BDB Bioorg Med Chem Lett 16: 5107-11 (2006) GNF 2D 3D TSV
16876404 15 Morpholin-2-one derivatives as novel selective T-type Ca2+ channel blockers.EBI Bioorg Med Chem Lett 16: 5244-8 (2006) Institute of Science and Technology 2D 3D TSV
16876403 85 Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure.EBI Bioorg Med Chem Lett 16: 5122-6 (2006) Banyu Tsukuba Research Institute in collaboration with Merck Research Laboratories 2D 3D TSV
16876402 81 Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers.BDB Bioorg Med Chem Lett 16: 5112-7 (2006) GNF 2D 3D TSV
16876401 48 Peptidomimetic C5a receptor antagonists with hydrophobic substitutions at the C-terminus: increased receptor specificity and in vivo activity.EBI Bioorg Med Chem Lett 16: 5088-92 (2006) Jerini AG 2D 3D TSV
16875814 26 Homo-cysteinyl peptide inhibitors of the L1 metallo-beta-lactamase, and SAR as determined by combinatorial library synthesis.EBI Bioorg Med Chem Lett 16: 5169-75 (2006) University of Virginia 2D 3D TSV
16873026 32 A general strategy for creating "inactive-conformation" abl inhibitors.BDB Chem Biol 13: 779-86 (2006) The Scripps Research Institute 2D 3D TSV
16873019 6 MASPIT: three-hybrid trap for quantitative proteome fingerprinting of small molecule-protein interactions in mammalian cells.BDB Chem Biol 13: 711-22 (2006) GPC Biotech Incorporated 2D 3D TSV
16872827 97 A novel class of positive allosteric modulators of AMPA receptors: design, synthesis, and structure-activity relationships of 3-biphenyl-4-yl-4-cyano-5-ethyl-1-methyl-1H-pyrrole-2-carboxylic acid, LY2059346.EBI Bioorg Med Chem Lett 16: 5203-6 (2006) Eli Lilly and Co 2D 3D TSV
16872152 5 An apigenin-derived xanthine oxidase inhibitor from Palhinhaea cernua.EBI J Nat Prod 69: 1089-91 (2006) Nanjing University 2D 3D TSV
16872138 2 Chemokine receptor CCR-5 inhibitors produced by Chaetomium globosum.EBI J Nat Prod 69: 1025-8 (2006) Schering-Plough Research Institute 2D 3D TSV
16872137 5 Biphenyl glycosides from the fruit of Pyracantha fortuneana.EBI J Nat Prod 69: 1022-4 (2006) Shenyang Pharmaceutical University 2D 3D TSV
16870444 23 Synthesis of 2-amino-4-(7-azaindol-3-yl)pyrimidines as cyclin dependent kinase 1 (CDK1) inhibitors.EBI Bioorg Med Chem Lett 16: 4818-21 (2006) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
16870442 18 Selectively guanidinylated derivatives of neamine. Syntheses and inhibition of anthrax lethal factor protease.BDB Bioorg Med Chem Lett 16: 5183-9 (2006) Hawaii Biotech Inc. 2D 3D TSV
16870441 30 Synthesis and evaluation of thiazepines as interleukin-1beta converting enzyme (ICE) inhibitors.EBI Bioorg Med Chem Lett 16: 4728-32 (2006) Procter and Gamble Pharmaceuticals Inc 2D 3D TSV
16870439 47 Synthesis and SAR of conformationally restricted inhibitors of soluble epoxide hydrolase.EBI Bioorg Med Chem Lett 16: 5212-6 (2006) University of California 2D 3D TSV
16870436 27 Synthesis and biological activity of 5-aryl-4-(4-(5-methyl-1H-imidazol-4-yl)piperidin-1-yl)pyrimidine analogs as potent, highly selective, and orally bioavailable NHE-1 inhibitors.EBI Bioorg Med Chem Lett 16: 4796-9 (2006) Pharmaceutical Research Institute 2D 3D TSV
16870435 29 Preparation of 1-(3-aminobenzo[d]isoxazol-5-yl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective, and efficacious inhibitors of coagulation factor Xa.BDB Bioorg Med Chem Lett 16: 5176-82 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16870432 22 The discovery and optimization of pyrimidinone-containing MCH R1 antagonists.EBI Bioorg Med Chem Lett 16: 4723-7 (2006) GlaxoSmithKline 2D 3D TSV
16870431 54 4-Amino-2-alkyl-butyramides as small molecule CCR2 antagonists with favorable pharmacokinetic properties.EBI Bioorg Med Chem Lett 16: 4715-22 (2006) Merck Research Laboratories 2D 3D TSV
16870430 21 Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a range of 4-substituted phenyl alkyl imidazole-based inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)).EBI Bioorg Med Chem Lett 16: 4752-6 (2006) Kingston University 2D 3D TSV
16870427 38 Design and synthesis of substituted quinolines as novel and selective melanin concentrating hormone antagonists as anti-obesity agents.EBI Bioorg Med Chem Lett 16: 5207-11 (2006) Procter and Gamble Pharmaceuticals Inc. 2D 3D TSV
16870426 126 From arylureas to biarylamides to aminoquinazolines: discovery of a novel, potent TRPV1 antagonist.EBI Bioorg Med Chem Lett 16: 5217-21 (2006) Neurogen Corporation 2D 3D TSV
16870425 14 Fatty acid synthase inhibitory activity of acylphloroglucinols isolated from Dryopteris crassirhizoma.EBI Bioorg Med Chem Lett 16: 4738-42 (2006) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
16866524 4 The putative endocannabinoid transport blocker LY2183240 is a potent inhibitor of FAAH and several other brain serine hydrolases.BDB J Am Chem Soc 128: 9699-704 (2006) The Scripps Research Institute 2D 3D TSV
16854086 96 Synthesis and biological evaluation of novel compounds within a class of 3-aminochroman derivatives with dual 5-HT1A receptor and serotonin transporter affinity.EBI J Med Chem 49: 4785-9 (2006) Wyeth Research 2D 3D TSV
16854085 11 Indenone derivatives: a novel template for peroxisome proliferator-activated receptor gamma (PPARgamma) agonists.EBI J Med Chem 49: 4781-4 (2006) Korea Research Institute of Chemical Technology 2D 3D TSV
16854084 19 Lead optimization providing a series of flavone derivatives as potent nonsteroidal inhibitors of the cytochrome P450 aromatase enzyme.EBI J Med Chem 49: 4777-80 (2006) University of Bologna 2D 3D TSV
16854083 11 Toward stable N4-modified neurotensins for NTS1-receptor-targeted tumor imaging with 99mTc.EBI J Med Chem 49: 4767-76 (2006) National Center for Scientific Research Demokritos 2D 3D TSV
16854082 14 Potent inhibitors of the Qi site of the mitochondrial respiration complex III.EBI J Med Chem 49: 4762-6 (2006) Stine/Haskell Research Center 2D 3D TSV
16854081 216 Design, synthesis, and evaluation of proline and pyrrolidine based melanocortin receptor agonists. A conformationally restricted dipeptide mimic approach.EBI J Med Chem 49: 4745-61 (2006) Procter & Gamble Pharmaceuticals 2D 3D TSV
16854079 57 Benzimidazole derivatives bearing substituted biphenyls as hepatitis C virus NS5B RNA-dependent RNA polymerase inhibitors: structure-activity relationship studies and identification of a potent and highly selective inhibitor JTK-109.EBI J Med Chem 49: 4721-36 (2006) Central Pharmaceutical Research Institute 2D 3D TSV
16854077 1 Probing the role of the covalent linkage of ferrocene into a chloroquine template.EBI J Med Chem 49: 4707-14 (2006) Unit£ de Catalyse et Chimie du Solide - UMR CNRS 8181 2D 3D TSV
16854071 10 Molecular tongs containing amino acid mimetic fragments: new inhibitors of wild-type and mutated HIV-1 protease dimerization.EBI J Med Chem 49: 4657-64 (2006) Université de Paris-Sud XI 2D 3D TSV
16854070 12 Fatty acid amide hydrolase inhibitors from virtual screening of the endocannabinoid system.EBI J Med Chem 49: 4650-6 (2006) University of Kuopio 2D 3D TSV
16854069 74 3'-Substituted 7-halogenoindirubins, a new class of cell death inducing agents.EBI J Med Chem 49: 4638-49 (2006) C.N.R.S. 2D 3D TSV
16854068 59 Structure-activity relationship of 6-methylidene penems bearing 6,5 bicyclic heterocycles as broad-spectrum beta-lactamase inhibitors: evidence for 1,4-thiazepine intermediates with C7 R stereochemistry by computational methods.EBI J Med Chem 49: 4623-37 (2006) Wyeth Research 2D 3D TSV
16854067 14 Hydrophobic effect and hydrogen bonds account for the improved activity of a complement inhibitor, compstatin.EBI J Med Chem 49: 4616-22 (2006) University of Pennsylvania 2D 3D TSV
16854066 44 Design, synthesis, and biological evaluation of hydroquinone derivatives of 17-amino-17-demethoxygeldanamycin as potent, water-soluble inhibitors of Hsp90.EBI J Med Chem 49: 4606-15 (2006) Infinity Pharmaceuticals, Inc. 2D 3D TSV
16854064 65 Synthesis and monoamine transporter binding properties of 2,3-cyclo analogues of 3beta-(4'-aminophenyl)-2beta-tropanemethanol.EBI J Med Chem 49: 4589-94 (2006) Research Triangle Institute 2D 3D TSV
16854060 58 Structure-based design and synthesis of macroheterocyclic peptidomimetic inhibitors of the aspartic protease beta-site amyloid precursor protein cleaving enzyme (BACE).BDB J Med Chem 49: 4544-67 (2006) Universite de Montreal at Succursale Centre-Ville 2D 3D TSV
16854058 8 Discovery of small molecule integrin alphavbeta3 antagonists as novel anticancer agents.EBI J Med Chem 49: 4526-34 (2006) University of Southern California 2D 3D TSV
16854056 8 Characterization of the histamine H4 receptor binding site. Part 1. Synthesis and pharmacological evaluation of dibenzodiazepine derivatives.EBI J Med Chem 49: 4512-6 (2006) Vrije Universiteit Amsterdam 2D 3D TSV
16854054 30 Novel sst2-selective somatostatin agonists. Three-dimensional consensus structure by NMR.EBI J Med Chem 49: 4487-96 (2006) Salk Institute 2D 3D TSV
16854053 108 Sequence-based design and discovery of peptide inhibitors of HIV-1 integrase: insight into the binding mode of the enzyme.EBI J Med Chem 49: 4477-86 (2006) Graduate School of the Chinese Academy of Sciences 2D 3D TSV
16854051 30 Discovery and pharmacological evaluation of growth hormone secretagogue receptor antagonists.BDB J Med Chem 49: 4459-69 (2006) Abbott Laboratories 2D 3D TSV
16854050 27 Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.BDB J Med Chem 49: 4455-8 (2006) Abbott Laboratories 2D 3D TSV
16852171 6 Complexation of adamantyl compounds by beta-cyclodextrin and monoaminoderivatives.BDB J Phys Chem B 109: 9719-26 (2005) Universidade de Santiago de Compostela 2D 3D TSV
16844380 76 Synthesis and structure activity relationships of novel non-peptidic metallo-aminopeptidase inhibitors.BDB Bioorg Med Chem 14: 7241-57 (2006) ENSCMu 2D 3D TSV
16844377 40 New spiro-piperidines as 5-HT2B receptor antagonists.EBI Bioorg Med Chem Lett 16: 4830-3 (2006) Hopital Saint-Louis 2D 3D TSV
16844375 7 Binding mode of new (thio)hydantoin inhibitors of fatty acid amide hydrolase: comparison with two original compounds, OL-92 and JP104.BDB Bioorg Med Chem Lett 16: 4772-6 (2006) FUNDP 2D 3D TSV
16844373 25 Synthesis and dipeptidyl peptidase inhibition of N-(4-substituted-2,4-diaminobutanoyl)piperidines.EBI Bioorg Med Chem Lett 16: 4777-9 (2006) Laboratory of Medicinal Chemistry University of Antwerp 2D 3D TSV
16843659 5 Identification of novel pyrazole acid antagonists for the EP1 receptor.EBI Bioorg Med Chem Lett 16: 4767-71 (2006) GlaxoSmithKline 2D 3D TSV
16839764 28 A new series of pyridinyl-alkynes as antagonists of the metabotropic glutamate receptor 5 (mGluR5).EBI Bioorg Med Chem Lett 16: 4792-5 (2006) AstraZeneca R&D M£lndal 2D 3D TSV
16837197 14 Replacing the cyclohexene-linker of FR181157 leading to novel IP receptor agonists: orally active prostacyclin mimetics. Part 6.EBI Bioorg Med Chem Lett 16: 4861-4 (2006) Fujisawa Pharmaceutical Co., Ltd. 2D 3D TSV
16837196 19 Structure-activity relationships for the linker in a series of pyridinyl-alkynes that are antagonists of the metabotropic glutamate receptor 5 (mGluR5).EBI Bioorg Med Chem Lett 16: 4788-91 (2006) AstraZeneca R&D Mölndal 2D 3D TSV
16831551 31 Cyclopentane-based human NK1 antagonists. Part 2: development of potent, orally active, water-soluble derivatives.EBI Bioorg Med Chem Lett 16: 4504-11 (2006) Merck Research Laboratories 2D 3D TSV
16829954 4 Enhancement of capillary leakage and restoration of lymphocyte egress by a chiral S1P1 antagonist in vivo.EBI Nat Chem Biol 2: 434-41 (2006) The Scripps Research Institute 2D 3D TSV
16828557 19 Arylisothiocyanato selective androgen receptor modulators (SARMs) for prostate cancer.BDB Bioorg Med Chem 14: 6525-38 (2006) University of Tennessee Health Science Center 2D 3D TSV
16828552 20 Synthesis and evaluation of 3-aminopropionyl substituted fentanyl analogues for opioid activity.EBI Bioorg Med Chem Lett 16: 4946-50 (2006) University of Arizona 2D 3D TSV
16828551 12 Design and synthesis of APTCs (aminopyrrolidinetricarboxylic acids): identification of a new group III metabotropic glutamate receptor selective agonist.EBI Bioorg Med Chem Lett 16: 4856-60 (2006) Faust Pharmaceuticals 2D 3D TSV
16827559 24 Synthesis of tetramic and tetronic acids as beta-secretase inhibitors.BDB J Comb Chem 8: 480-90 Darmstadt Technical University 2D 3D TSV
16824760 22 Himbacine derived thrombin receptor (PAR-1) antagonists: structure-activity relationship of the lactone ring.EBI Bioorg Med Chem Lett 16: 4969-72 (2006) Schering-Plough Research Institute 2D 3D TSV
16824759 4 Pharmacophore-based virtual screening: the discovery of novel methionyl-tRNA synthetase inhibitors.EBI Bioorg Med Chem Lett 16: 4898-907 (2006) Seoul National University 2D 3D TSV
16824757 67 Propionylpiperazines as human melanocortin-4 receptor ligands.EBI Bioorg Med Chem Lett 16: 4800-3 (2006) Neurocrine Biosciences, Inc. 2D 3D TSV
16824756 24 Identification and structure-based optimization of novel dihydropyrones as potent HCV RNA polymerase inhibitors.EBI Bioorg Med Chem Lett 16: 4834-8 (2006) Pfizer Global Research and Development 2D 3D TSV
16824755 57 Synthesis and structure-activity relationships of retro bis-aminopyrrolidine urea (rAPU) derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1). Part 2.EBI Bioorg Med Chem Lett 16: 4922-30 (2006) Neurocrine Biosciences Inc. 2D 3D TSV
16824753 59 Tetrahydroisoquinolines as MCH-R1 antagonists.EBI Bioorg Med Chem Lett 16: 4917-21 (2006) Schering-Plough Research Institute 2D 3D TSV
16824752 42 Cyclopentane-based human NK1 antagonists. Part 1: discovery and initial SAR.EBI Bioorg Med Chem Lett 16: 4497-503 (2006) Merck Research Laboratories 2D 3D TSV
16821802 30 Imidazole-dioxolane compounds as isozyme-selective heme oxygenase inhibitors.EBI J Med Chem 49: 4437-41 (2006) Queen's University 2D 3D TSV
16821801 35 Discovery of N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide, an agonist of the alpha7 nicotinic acetylcholine receptor, for the potential treatment of cognitive deficits in schizophrenia: synthesis and structure--activity relationship.EBI J Med Chem 49: 4425-36 (2006) Pfizer Global Research & Development 2D 3D TSV
16821800 96 Novel selective inhibitors of neutral endopeptidase for the treatment of female sexual arousal disorder. Synthesis and activity of functionalized glutaramides.EBI J Med Chem 49: 4409-24 (2006) Pfizer Global Research and Development 2D 3D TSV
16821798 62 A new synthesis of sulfonamides by aminolysis of p-nitrophenylsulfonates yielding potent and selective adenosine A2B receptor antagonists.EBI J Med Chem 49: 4384-91 (2006) University of Bonn 2D 3D TSV
16821797 21 (R)-3'-(3-methylbenzo[b]thiophen-5-yl)spiro[1-azabicyclo[2,2,2]octane-3,5'-oxazolidin]-2'-one, a novel and potent alpha7 nicotinic acetylcholine receptor partial agonist displays cognitive enhancing properties.EBI J Med Chem 49: 4374-83 (2006) Mitsubishi Pharma Corporation 2D 3D TSV
16821792 16 Design and synthesis of novel 2-amino-5-hydroxyindole derivatives that inhibit human 5-lipoxygenase.BDB J Med Chem 49: 4327-32 (2006) Friedrich Alexander University Erlangen 2D 3D TSV
16821788 6 Structural requirements for the substrates of the H+/peptide cotransporter PEPT2 determined by three-dimensional quantitative structure-activity relationship analysis.EBI J Med Chem 49: 4286-96 (2006) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
16821787 28 Naphthyl and coumarinyl biarylpiperazine derivatives as highly potent human beta-secretase inhibitors. Design, synthesis, and enzymatic BACE-1 and cell assays.BDB J Med Chem 49: 4275-85 (2006) Universite de la Mediterranee 2D 3D TSV
16821786 13 C-(4,5,6-trimethoxyindan-1-yl)methanamine: a mescaline analogue designed using a homology model of the 5-HT2A receptor.EBI J Med Chem 49: 4269-74 (2006) Purdue University 2D 3D TSV
16821784 10 From ligand to complexes: inhibition of human immunodeficiency virus type 1 integrase by beta-diketo acid metal complexes.EBI J Med Chem 49: 4248-60 (2006) Università di Sassari 2D 3D TSV
16821783 60 Further structural exploration of trisubstituted asymmetric pyran derivatives (2S,4R,5R)-2-benzhydryl-5-benzylamino-tetrahydropyran-4-ol and their corresponding disubstituted (3S,6S) pyran derivatives: a proposed pharmacophore model for high-affinity interaction with the dopamine, serotonin, and noEBI J Med Chem 49: 4239-47 (2006) Wayne State University 2D 3D TSV
16821781 106 Dissociated nonsteroidal glucocorticoid receptor modulators; discovery of the agonist trigger in a tetrahydronaphthalene-benzoxazine series.EBI J Med Chem 49: 4216-31 (2006) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
16821780 12 Back door modulation of the farnesoid X receptor: design, synthesis, and biological evaluation of a series of side chain modified chenodeoxycholic acid derivatives.EBI J Med Chem 49: 4208-15 (2006) Universit£ di Perugia 2D 3D TSV
16821778 80 Acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase.EBI J Med Chem 49: 4183-95 (2006) Cardiff University 2D 3D TSV
16821776 13 2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists. 3. Synthesis, pharmacokinetics, and in vivo potency.EBI J Med Chem 49: 4159-70 (2006) Cardiovascular and Urogenital Centre of Excellence for Drug Discovery 2D 3D TSV
16821774 86 Design, synthesis, and biological evaluation of the combinatorial library with a new spirodiketopiperazine scaffold. Discovery of novel potent and selective low-molecular-weight CCR5 antagonists.EBI J Med Chem 49: 4140-52 (2006) Ono Pharmaceutical Co., Ltd. 2D 3D TSV
16821773 12 New 3-alkylamino-4H-thieno-1,2,4-thiadiazine 1,1-dioxide derivatives activate ATP-sensitive potassium channels of pancreatic beta cells.EBI J Med Chem 49: 4127-39 (2006) Novo Nordisk Research and Development 2D 3D TSV
16821772 270 Secondary amides of sulfonylated 3-amidinophenylalanine. New potent and selective inhibitors of matriptase.BDB J Med Chem 49: 4116-26 (2006) Curacyte Chemistry GmbH 2D 3D TSV
16821771 42 Design, synthesis, and structure-activity relationships of novel 2-substituted pyrazinoylguanidine epithelial sodium channel blockers: drugs for cystic fibrosis and chronic bronchitis.EBI J Med Chem 49: 4098-115 (2006) Parion Sciences Inc. 2D 3D TSV
16821770 78 Pharmacophore based receptor modeling: the case of adenosine A3 receptor antagonists. An approach to the optimization of protein models.EBI J Med Chem 49: 4085-97 (2006) Università degli Studi di Siena 2D 3D TSV
16821769 16 Design and synthesis of the first generation of dithiolane thiazolidinedione- and phenylacetic acid-based PPARgamma agonists.EBI J Med Chem 49: 4072-84 (2006) University of Mississippi 2D 3D TSV
16821767 27 Discovery of potent and orally available malonyl-CoA decarboxylase inhibitors as cardioprotective agents.EBI J Med Chem 49: 4055-8 (2006) Chugai Pharma USA, LLC. 2D 3D TSV
16821765 29 Development of peptidic dopamine transporter inhibitors via aromatic modification-mediated conformational restriction.EBI J Med Chem 49: 4048-51 (2006) Chinese Academy of Sciences 2D 3D TSV
16821764 54 Discovery of novel triazole-based opioid receptor antagonists.EBI J Med Chem 49: 4044-7 (2006) University of Medicine and Dentistry of New Jersey and UMDNJ Informatics Institute 2D 3D TSV
16815012 20 Tetrahydrofluorenones with conformationally restricted side chains as selective estrogen receptor beta ligands.EBI Bioorg Med Chem Lett 16: 4462-6 (2006) Merck Research Laboratories 2D 3D TSV
16814546 41 Selective COX-2 inhibitors. Part 1: synthesis and biological evaluation of phenylazobenzenesulfonamides.EBI Bioorg Med Chem Lett 16: 4440-3 (2006) National Research Institute of Chinese Medicine 2D 3D TSV
16814543 14 Synthesis and receptor binding properties of chimeric peptides containing a mu-opioid receptor ligand and nociceptin/orphanin FQ receptor ligand Ac-RYYRIK-amide.EBI Bioorg Med Chem Lett 16: 4839-41 (2006) Tohoku Pharmaceutical University 2D 3D TSV
16814542 51 Synthesis and structure-activity relationships of retro bis-aminopyrrolidine urea (rAPU) derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1). Part 1.EBI Bioorg Med Chem Lett 16: 4450-7 (2006) Neurocrine Biosciences Inc. 2D 3D TSV
16809037 1 Macrolactin N, a new peptide deformylase inhibitor produced by Bacillus subtilis.EBI Bioorg Med Chem Lett 16: 4889-92 (2006) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
16809036 100 Carbonic anhydrase inhibitors. Inhibition of the cytosolic human isozymes I and II, and the transmembrane, tumor-associated isozymes IX and XII with substituted aromatic sulfonamides activatable in hypoxic tumors.EBI Bioorg Med Chem Lett 16: 4846-51 (2006) Medical University of Gdansk 2D 3D TSV
16809035 15 Correlation between brain/plasma ratios and efficacy in neuropathic pain models of selective metabotropic glutamate receptor 1 antagonists.EBI Bioorg Med Chem Lett 16: 4936-40 (2006) Abbott Laboratories 2D 3D TSV
16809034 142 Hydrazides of clozapine: a new class of D1 dopamine receptor subtype selective antagonists.EBI Bioorg Med Chem Lett 16: 4543-7 (2006) Schering-Plough Research Institute 2D 3D TSV
16807364 18 Inhibition of the enzymatic activity of heme oxygenases by azole-based antifungal drugs.BDB J Pharmacol Exp Ther 319: 277-84 (2006) Queen's University 2D 3D TSV
16806922 126 Modification of the clozapine structure by parallel synthesis.EBI Bioorg Med Chem Lett 16: 4548-53 (2006) Schering-Plough Research Institute K15 2545 2D 3D TSV
16806920 32 Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: capturing interactions with Asp48.BDB Bioorg Med Chem Lett 16: 4941-5 (2006) Wyeth Research 2D 3D TSV
16806919 43 4,5-Disubstituted cis-pyrrolidinones as inhibitors of type II 17beta-hydroxysteroid dehydrogenase. Part 3. Identification of lead candidate.EBI Bioorg Med Chem Lett 16: 4965-8 (2006) Bayer Research Center 2D 3D TSV
16806916 15 Inhibitors of epidermal growth factor receptor tyrosine kinase: optimisation of potency and in vivo pharmacokinetics.EBI Bioorg Med Chem Lett 16: 4908-12 (2006) AstraZeneca 2D 3D TSV
16806914 6 Design and synthesis of new water-soluble tetrazolide derivatives of celecoxib and rofecoxib as selective cyclooxygenase-2 (COX-2) inhibitors.EBI Bioorg Med Chem Lett 16: 4483-7 (2006) Tehran University of Medical Sciences 2D 3D TSV
16806913 6 N-Tetrahydroquinolinyl, N-quinolinyl and N-isoquinolinyl biaryl carboxamides as antagonists of TRPV1.EBI Bioorg Med Chem Lett 16: 4533-6 (2006) GlaxoSmithKline 2D 3D TSV
16797988 4 Synthesis of a red-shifted fluorescence polarization probe for Hsp90.EBI Bioorg Med Chem Lett 16: 4515-8 (2006) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
16797987 11 Synthesis of gallic acid based naphthophenone fatty acid amides as cathepsin D inhibitors.EBI Bioorg Med Chem Lett 16: 4603-8 (2006) Institute of Medicinal and Aromatic Plants 2D 3D TSV
16797985 26 Studies towards the conception of new selective PPARbeta/delta ligands.EBI Bioorg Med Chem Lett 16: 4528-32 (2006) Université d'Orléans 2D 3D TSV
16797984 12 Synthesis, biochemical evaluation and rationalisation of the inhibitory activity of a series of 4-hydroxyphenyl ketones as potential inhibitors of 17beta-hydroxysteroid dehydrogenase type 3 (17beta-HSD3).EBI Bioorg Med Chem Lett 16: 4519-22 (2006) Kingston University 2D 3D TSV
16793267 2 Synthesis and evaluation of (2-phenethyl-2H-1,2,3-triazol-4-yl)(phenyl)methanones as Kv1.5 channel blockers for the treatment of atrial fibrillation.EBI Bioorg Med Chem Lett 16: 4629-32 (2006) Procter & Gamble Pharmaceuticals 2D 3D TSV
16793264 13 Potent 4-amino-5-azaindole factor VIIa inhibitors.EBI Bioorg Med Chem Lett 16: 4567-70 (2006) Celera Genomics 2D 3D TSV
16792415 3 Quercetin as the active principle of Hypericum hircinum exerts a selective inhibitory activity against MAO-A: extraction, biological analysis, and computational study.EBI J Nat Prod 69: 945-9 (2006) Università degli Studi di Roma La Sapienza 2D 3D TSV
16792410 48 Synthesis of salvinorin A analogues as opioid receptor probes.EBI J Nat Prod 69: 914-8 (2006) The University of Iowa 2D 3D TSV
16792405 11 Nitrogen-containing phorbol esters from Croton ciliatoglandulifer and their effects on cyclooxygenases-1 and -2.EBI J Nat Prod 69: 887-90 (2006) Centro de Investigaciones Químicas de la Universidad Autónoma del Estado de Morelos 2D 3D TSV
16789756 25 New 2',6'-dimethyl-L-tyrosine (Dmt) opioid peptidomimetics based on the Aba-Gly scaffold. Development of unique mu-opioid receptor ligands.EBI J Med Chem 49: 3990-3 (2006) Vrije Universiteit Brussels 2D 3D TSV
16789755 6 S-alkylated homocysteine derivatives: new inhibitors of human betaine-homocysteine S-methyltransferase.EBI J Med Chem 49: 3982-9 (2006) Academy of Sciences of the Czech Republic 2D 3D TSV
16789752 6 Activation of murine RNase L by isopolar 2'-phosphonate analogues of 2',5' oligoadenylates.EBI J Med Chem 49: 3955-62 (2006) Academy of Sciences of the Czech Republic 2D 3D TSV
16789750 155 2-[(4-phenylpiperazin-1-yl)methyl]imidazo(di)azines as selective D4-ligands. Induction of penile erection by 2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]imidazo[1,2-a]pyridine (PIP3EA), a potent and selective D4 partial agonist.EBI J Med Chem 49: 3938-47 (2006) Laboratoire de Chimie Th�rapeutique 2D 3D TSV
16789748 31 Exploration of orally available calpain inhibitors 2: peptidyl hemiacetal derivatives.EBI J Med Chem 49: 3926-32 (2006) Senju Pharmaceutical Company, Ltd. 2D 3D TSV
16789747 71 4-amido-2-aryl-1,2,4-triazolo[4,3-a]quinoxalin-1-ones as new potent and selective human A3 adenosine receptor antagonists. synthesis, pharmacological evaluation, and ligand-receptor modeling studies.EBI J Med Chem 49: 3916-25 (2006) Università di Firenze 2D 3D TSV
16789744 8 Evaluation of small-molecule modulators of the luteinizing hormone/choriogonadotropin and thyroid stimulating hormone receptors: structure-activity relationships and selective binding patterns.EBI J Med Chem 49: 3888-96 (2006) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
16789742 65 Furan-2-ylmethylene thiazolidinediones as novel, potent, and selective inhibitors of phosphoinositide 3-kinase gamma.EBI J Med Chem 49: 3857-71 (2006) Serono Pharmaceutical Research Institute 2D 3D TSV
16789740 109 Discovery and optimization of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2: a structural basis for the reduction of albumin binding.BDB J Med Chem 49: 3832-49 (2006) Abbott Laboratories 2D 3D TSV
16789738 61 Design, synthesis, and structure-activity relationships of thieno[2,3-b]pyridin-4-one derivatives as a novel class of potent, orally active, non-peptide luteinizing hormone-releasing hormone receptor antagonists.EBI J Med Chem 49: 3809-25 (2006) Takeda Pharmaceutical Company, Ltd. 2D 3D TSV
16789737 1 Synthesis, molecular characterization, and biological activity of novel synthetic derivatives of chromen-4-one in human cancer cells.EBI J Med Chem 49: 3800-8 (2006) University of Pune 2D 3D TSV
16789735 57 Potent benzimidazole sulfonamide protein tyrosine phosphatase 1B inhibitors containing the heterocyclic (S)-isothiazolidinone phosphotyrosine mimetic.EBI J Med Chem 49: 3774-89 (2006) Incyte Corporation 2D 3D TSV
16789734 42 Synthesis and structure-activity relationships of N-{3-[2-(4-alkoxyphenoxy)thiazol-5-yl]-1- methylprop-2-ynyl}carboxy derivatives as selective acetyl-CoA carboxylase 2 inhibitors.EBI J Med Chem 49: 3770-3 (2006) Abbott Laboratories 2D 3D TSV
16789733 41 Discovery and evaluation of N-cyclopropyl- 2,4-difluoro-5-((2-(pyridin-2-ylamino)thiazol-5- ylmethyl)amino)benzamide (BMS-605541), a selective and orally efficacious inhibitor of vascular endothelial growth factor receptor-2.EBI J Med Chem 49: 3766-9 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16789731 3 Discovery of a nanomolar inhibitor of the human murine double minute 2 (MDM2)-p53 interaction through an integrated, virtual database screening strategy.BDB J Med Chem 49: 3759-62 (2006) University of Michigan 2D 3D TSV
16789730 9 3-arylimino-2-indolones are potent and selective galanin GAL3 receptor antagonists.EBI J Med Chem 49: 3757-8 (2006) Lundbeck Research USA, Inc. 2D 3D TSV
16789729 25 A thienopyridazinone-based melanin-concentrating hormone receptor 1 antagonist with potent in vivo anorectic properties.EBI J Med Chem 49: 3753-6 (2006) Neurocrine Biosciences Inc. 2D 3D TSV
16784855 22 Synthesis and monoamine transporter affinity of front bridged tricyclic 3beta-(4'-halo or 4'-methyl)phenyltropanes bearing methylene or carbomethoxymethylene on the bridge to the 2beta-position.EBI Bioorg Med Chem Lett 16: 4661-3 (2006) Emory University 2D 3D TSV
16784853 5 High affinity inhibitors of the dopamine transporter (DAT): novel biotinylated ligands for conjugation to quantum dots.EBI Bioorg Med Chem Lett 16: 4664-7 (2006) Vanderbilt University 2D 3D TSV
16784850 14 Synthesis of novel keto-ACE analogues as domain-selective angiotensin I-converting enzyme inhibitors.EBI Bioorg Med Chem Lett 16: 4612-5 (2006) University of Cape Town 2D 3D TSV
16784844 44 3-Aryl-4-hydroxyquinolin-2(1H)-one derivatives as type I fatty acid synthase inhibitors.EBI Bioorg Med Chem Lett 16: 4620-3 (2006) Merck Research Laboratories 2D 3D TSV
16784843 4 Synthesis and molecular modeling of a lisinopril-tryptophan analogue inhibitor of angiotensin I-converting enzyme.EBI Bioorg Med Chem Lett 16: 4616-9 (2006) University of Cape Town 2D 3D TSV
16783341 34 Rational design of inhibitors that bind to inactive kinase conformations.EBI Nat Chem Biol 2: 358-64 (2006) Novartis Research Foundation 2D 3D TSV
16782336 9 Overcoming HERG affinity in the discovery of the CCR5 antagonist maraviroc.EBI Bioorg Med Chem Lett 16: 4633-7 (2006) Pfizer Global Research and Development 2D 3D TSV
16782335 18 Benzimidazole-2-carboxamides as novel NR2B selective NMDA receptor antagonists.EBI Bioorg Med Chem Lett 16: 4638-40 (2006) Gedeon Richter Ltd. 2D 3D TSV
16782334 61 Synthesis and evaluation of novel 1-(2-acylhydrazinocarbonyl)-cycloalkyl carboxamides as interleukin-1beta converting enzyme (ICE) inhibitors.EBI Bioorg Med Chem Lett 16: 4233-6 (2006) Procter & Gamble Pharmaceuticals 2D 3D TSV
16781147 20 Design, synthesis, and biochemical evaluation of novel cruzain inhibitors with potential application in the treatment of Chagas' disease.EBI Bioorg Med Chem Lett 16: 4405-9 (2006) Baylor University 2D 3D TSV
16777416 80 Opiate receptor binding properties of morphine-, dihydromorphine-, and codeine 6-O-sulfate ester congeners.EBI Bioorg Med Chem Lett 16: 4291-5 (2006) University of Kentucky 2D 3D TSV
16777414 6 Amide-substituted farnesylcysteine analogs as inhibitors of human isoprenylcysteine carboxyl methyltransferase.EBI Bioorg Med Chem Lett 16: 4420-3 (2006) Purdue University 2D 3D TSV
16777413 65 Arylpropionylpiperazines as antagonists of the human melanocortin-4 receptor.EBI Bioorg Med Chem Lett 16: 4674-8 (2006) Neurocrine Biosciences, Inc. 2D 3D TSV
16777411 80 Synthesis and in vitro evaluation of salvinorin A analogues: effect of configuration at C(2) and substitution at C(18).EBI Bioorg Med Chem Lett 16: 4679-85 (2006) McLean Hospital 2D 3D TSV
16777410 50 Optimization and SAR for dual ErbB-1/ErbB-2 tyrosine kinase inhibition in the 6-furanylquinazoline series.EBI Bioorg Med Chem Lett 16: 4686-91 (2006) GlaxoSmithKline 2D 3D TSV
16777408 89 Triazolo-tetrahydrofluorenones as selective estrogen receptor beta agonists.EBI Bioorg Med Chem Lett 16: 4652-6 (2006) Merck Research Laboratories 2D 3D TSV
16768443 12 Crystal structures of DPP-IV (CD26) from rat kidney exhibit flexible accommodation of peptidase-selective inhibitors.BDB Biochemistry 45: 7474-82 (2006) Abbott Laboratories 2D 3D TSV
16767086 2 Combinatorial chemistry identifies high-affinity peptidomimetics against alpha4beta1 integrin for in vivo tumor imaging.EBI Nat Chem Biol 2: 381-9 (2006) University of California 2D 3D TSV
16767085 2 Small molecule-based reversible reprogramming of cellular lifespan.EBI Nat Chem Biol 2: 369-74 (2006) Korea Advanced Institute of Science and Technology 2D 3D TSV
16766183 24 Synthesis of biotinylated photoaffinity probes based on arylsulfonamide gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 16: 4184-9 (2006) University of Tokyo 2D 3D TSV
16766182 108 Design and synthesis of potent and selective 1,3,4-trisubstituted-2-oxopiperazine based melanocortin-4 receptor agonists.EBI Bioorg Med Chem Lett 16: 4668-73 (2006) Procter & Gamble Pharmaceuticals 2D 3D TSV
16765048 41 Discovery of protein-protein binding disruptors using multi-component condensations small molecules.EBI Bioorg Med Chem Lett 16: 3998-4001 (2006) Pierre Fabre Urologie 2D 3D TSV
16765047 23 Aryloxyethylamines: binding at alpha7 nicotinic acetylcholine receptors.EBI Bioorg Med Chem Lett 16: 4283-6 (2006) Virginia Commonwealth University 2D 3D TSV
16765046 63 Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies.EBI Bioorg Med Chem Lett 16: 4163-8 (2006) Chiron Corporation 2D 3D TSV
16762550 101 4-Substituted-8-(1-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of highly selective GlyT1 inhibitors with superior pharmacological and pharmacokinetic parameters.EBI Bioorg Med Chem Lett 16: 4321-5 (2006) F. Hoffmann-La Roche Ltd 2D 3D TSV
16762549 53 Substituted chromones and quinolones as potent melanin-concentrating hormone receptor 1 antagonists.EBI Bioorg Med Chem Lett 16: 4237-42 (2006) Neurocrine Biosciences Inc. 2D 3D TSV
16762548 37 Design and synthesis of 4-substituted-8-(2-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of GlyT1 inhibitors: achieving selectivity against the mu opioid and nociceptin/orphanin FQ peptide (NOP) receptors.EBI Bioorg Med Chem Lett 16: 4305-10 (2006) F. Hoffmann-La Roche Ltd 2D 3D TSV
16759861 76 Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development.BDB Bioorg Med Chem Lett 16: 4339-44 (2006) Pfizer 2D 3D TSV
16759857 59 Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta.EBI Bioorg Med Chem Lett 16: 4252-6 (2006) Procter & Gamble Pharmaceuticals 2D 3D TSV
16759856 9 N-hydroxyurea--a versatile zinc binding function in the design of metalloenzyme inhibitors.EBI Bioorg Med Chem Lett 16: 4316-20 (2006) Università degli Studi di Firenze 2D 3D TSV
16759855 130 1,4-Dihydroindeno[1,2-c]pyrazoles as novel multitargeted receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 16: 4266-71 (2006) Abbott Laboratories 2D 3D TSV
16759116 8 Synthesis, structural reassignment, and biological activity of type B MAO inhibitors based on the 5H-indeno[1,2-c]pyridazin-5-one core.EBI J Med Chem 49: 3743-7 (2006) Facultés Universitaires N.D de la Paix 2D 3D TSV
16759115 168 Design of potent, orally available antagonists of the transient receptor potential vanilloid 1. Structure-activity relationships of 2-piperazin-1-yl-1H-benzimidazoles.EBI J Med Chem 49: 3719-42 (2006) Amgen Inc. 2D 3D TSV
16759113 75 Synthesis and pharmacological evaluation of novel nitrobenzenic thromboxane modulators as antiplatelet agents acting on both the alpha and beta isoforms of the human thromboxane receptor.EBI J Med Chem 49: 3701-9 (2006) University of Liège 2D 3D TSV
16759111 149 Novel 1,3-disubstituted 8-(1-benzyl-1H-pyrazol-4-yl) xanthines: high affinity and selective A2B adenosine receptor antagonists.EBI J Med Chem 49: 3682-92 (2006) CV Therapeutics Inc. 2D 3D TSV
16759108 40 Structure-activity relationship studies on a series of novel, substituted 1-benzyl-5-phenyltetrazole P2X7 antagonists.EBI J Med Chem 49: 3659-66 (2006) Abbott Laboratories 2D 3D TSV
16759107 18 6-N,N-dimethylamino-2,3-naphthalimide: a new environment-sensitive fluorescent probe in delta- and mu-selective opioid peptides.EBI J Med Chem 49: 3653-8 (2006) Universidad de Santiago de Compostela 2D 3D TSV
16759105 130 Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding.EBI J Med Chem 49: 3636-44 (2006) Pharmaceutical Research Institute 2D 3D TSV
16759104 46 Fancy bioisosteres: novel paracyclophane derivatives as super-affinity dopamine D3 receptor antagonists.EBI J Med Chem 49: 3628-35 (2006) Friedrich Alexander University 2D 3D TSV
16759103 64 (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]-pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.BDB J Med Chem 49: 3614-27 (2006) Merck Research Laboratories 2D 3D TSV
16759102 18 Design and synthesis of novel sulfonamide-containing bradykinin hB2 receptor antagonists. 1. Synthesis and SAR of alpha,alpha-dimethylglycine sulfonamides.EBI J Med Chem 49: 3602-13 (2006) Menarini Ricerche 2D 3D TSV
16759100 33 A novel series of potent and selective PDE5 inhibitors with potential for high and dose-independent oral bioavailability.BDB J Med Chem 49: 3581-94 (2006) Pfizer 2D 3D TSV
16759099 130 Aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity.BDB J Med Chem 49: 3563-80 (2006) Abbott Laboratories 2D 3D TSV
16759097 36 The combi-targeting concept: synthesis of stable nitrosoureas designed to inhibit the epidermal growth factor receptor (EGFR).EBI J Med Chem 49: 3544-52 (2006) McGill University Health Center/ Royal Victoria Hospital 2D 3D TSV
16759096 31 Novel analogues of degarelix incorporating hydroxy-, methoxy-, and pegylated-urea moieties at positions 3, 5, 6 and the N-terminus. Part III.EBI J Med Chem 49: 3536-43 (2006) Salk Institute 2D 3D TSV
16759095 56 Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors.BDB J Med Chem 49: 3520-35 (2006) Abbott Laboratories 2D 3D TSV
16759094 70 Mapping the melatonin receptor. 7. Subtype selective ligands based on beta-substituted N-acyl-5-methoxytryptamines and beta-substituted N-acyl-5-methoxy-1-methyltryptamines.EBI J Med Chem 49: 3509-19 (2006) University of Athens 2D 3D TSV
16759092 25 Inhibition of carbonic anhydrase-II by sulfamate and sulfamide groups: an investigation involving direct thermodynamic binding measurements.EBI J Med Chem 49: 3496-500 (2006) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
16759091 28 Discovery of a novel family of SARS-CoV protease inhibitors by virtual screening and 3D-QSAR studies.BDB J Med Chem 49: 3485-95 (2006) National Tsing Hua University 2D 3D TSV
16759089 5 Role of Tyr(356(7.43)) and Ser(190(4.57)) in antagonist binding in the rat beta1-adrenergic receptor.EBI J Med Chem 49: 3467-77 (2006) The University of Melbourne 2D 3D TSV
16759088 38 The discovery of new 11beta-hydroxysteroid dehydrogenase type 1 inhibitors by common feature pharmacophore modeling and virtual screening.EBI J Med Chem 49: 3454-66 (2006) University of Innsbruck 2D 3D TSV
16759084 12 Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors.EBI J Med Chem 49: 3440-3 (2006) Peking University 2D 3D TSV
16759082 9 Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction.BDB J Med Chem 49: 3432-5 (2006) University of Michigan 2D 3D TSV
16757170 40 Discovery of 4-substituted-8-(2-hydroxy-2-phenyl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one as a novel class of highly selective GlyT1 inhibitors with improved metabolic stability.EBI Bioorg Med Chem Lett 16: 4311-5 (2006) F. Hoffmann-La Roche Ltd 2D 3D TSV
16757169 26 The development of novel 1,2-dihydro-pyrimido[4,5-c]pyridazine based inhibitors of lymphocyte specific kinase (Lck).EBI Bioorg Med Chem Lett 16: 4257-61 (2006) Procter and Gamble Pharmaceuticals 2D 3D TSV
16757166 4 beta-Secretase inhibitors: modification at the P4 position and improvement of inhibitory activity in cultured cells.EBI Bioorg Med Chem Lett 16: 4354-9 (2006) Kyoto Pharmaceutical University 2D 3D TSV
16753297 29 Bicyclo[3.1.0]hexyl urea melanin concentrating hormone (MCH) receptor-1 antagonists: impacting hERG liability via aryl modifications.EBI Bioorg Med Chem Lett 16: 4262-5 (2006) Schering-Plough Research Institute 2D 3D TSV
16753296 25 Discovery of potent CRTh2 (DP2) receptor antagonists.EBI Bioorg Med Chem Lett 16: 4287-90 (2006) AstraZeneca R&D Charnwood 2D 3D TSV
16750630 28 Design and synthesis of tetracyclic nonpeptidic biaryl nitrile inhibitors of cathepsin K.EBI Bioorg Med Chem Lett 16: 4296-9 (2006) Celera Genomics 2D 3D TSV
16750629 28 p38 MAP kinase inhibitors. Part 3: SAR on 3,4-dihydropyrimido[4,5-d]pyrimidin-2-ones and 3,4-dihydropyrido[4,3-d]pyrimidin-2-ones.BDB Bioorg Med Chem Lett 16: 4400-4 (2006) Merck Research Laboratories 2D 3D TSV
16750628 47 Hit-to-lead optimization of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of KDR kinase inhibitors.EBI Bioorg Med Chem Lett 16: 4371-5 (2006) Abbott Laboratories 2D 3D TSV
16750626 51 3,4,5-Trisubstituted isoxazoles as novel PPARdelta agonists: Part 1.EBI Bioorg Med Chem Lett 16: 4376-80 (2006) The Genomics Institute of the Novartis Research Foundation 2D 3D TSV
16750366 104 Identification of potent and highly selective chiral tri-amine and tetra-amine mu opioid receptors ligands: an example of lead optimization using mixture-based libraries.EBI Bioorg Med Chem Lett 16: 4331-8 (2006) Institute for Molecular Studies 2D 3D TSV
16750364 25 The design and synthesis of a tricyclic single-nitrogen scaffold that serves as a 5-HT2C receptor agonist.EBI Bioorg Med Chem Lett 16: 4130-4 (2006) Athersys, Inc. 2D 3D TSV
16750363 101 Structure-activity relationships of N-substituted piperazine amine reuptake inhibitors.EBI Bioorg Med Chem Lett 16: 4349-53 (2006) Pfizer Global Research and Development 2D 3D TSV
16750362 32 Synthesis and biochemical evaluation of a range of potent benzyl imidazole-based compounds as potential inhibitors of the enzyme complex 17alpha-hydroxylase/17,20-lyase (P450(17alpha)).EBI Bioorg Med Chem Lett 16: 4011-5 (2006) Kingston University 2D 3D TSV
16750361 11 Analysis of complexes of inhibitors with Cryptosporidium hominis DHFR leads to a new trimethoprim derivative.EBI Bioorg Med Chem Lett 16: 4366-70 (2006) Dartmouth College 2D 3D TSV
16750360 36 CA224, a non-planar analogue of fascaplysin, inhibits Cdk4 but not Cdk2 and arrests cells at G0/G1 inhibiting pRB phosphorylation.EBI Bioorg Med Chem Lett 16: 4272-8 (2006) De Montfort University 2D 3D TSV
16750359 58 N-(1,2-diphenylethyl)piperazines: a new class of dual serotonin/noradrenaline reuptake inhibitor.EBI Bioorg Med Chem Lett 16: 4345-8 (2006) Pfizer Global Research and Development 2D 3D TSV
16737814 112 Structure-based design of indole propionic acids as novel PPARalpha/gamma co-agonists.EBI Bioorg Med Chem Lett 16: 4016-20 (2006) F. Hoffmann-La Roche Ltd 2D 3D TSV
16735511 9 Multiple conformations of phosphodiesterase-5: implications for enzyme function and drug development.BDB J Biol Chem 281: 21469-79 (2006) University of North Carolina at Chapel Hill 2D 3D TSV
16735118 23 Synthesis and efficacy of 1-[bis(4-fluorophenyl)-methyl]piperazine derivatives for acetylcholinesterase inhibition, as a stimulant of central cholinergic neurotransmission in Alzheimer's disease.EBI Bioorg Med Chem Lett 16: 3932-6 (2006) University of Mysore 2D 3D TSV
16735117 50 Isothiazolopyrimidines and isoxazolopyrimidines as novel multi-targeted inhibitors of receptor tyrosine kinases.EBI Bioorg Med Chem Lett 16: 4326-30 (2006) Abbott Laboratories 2D 3D TSV
16735116 31 7-(aryl/heteroaryl-2-ylethynyl)-4-phenylamino-3-quinolinecarbonitriles as new Src kinase inhibitors: addition of water solubilizing groups.EBI Bioorg Med Chem Lett 16: 3993-7 (2006) Wyeth Research 2D 3D TSV
16731764 10 CRA-024781: a novel synthetic inhibitor of histone deacetylase enzymes with antitumor activity in vitro and in vivo.BDB Mol Cancer Ther 5: 1309-17 (2006) Celera Genomics 2D 3D TSV
16730987 106 Estrogen receptor beta-subtype selective tetrahydrofluorenones: use of a fused pyrazole as a phenol bioisostere.EBI Bioorg Med Chem Lett 16: 3896-901 (2006) Merck Research Laboratories 2D 3D TSV
16730985 13 P2-P4 macrocyclic inhibitors of hepatitis C virus NS3-4A serine protease.EBI Bioorg Med Chem Lett 16: 3960-5 (2006) Schering Plough Research Institute 2D 3D TSV
16730984 25 1-[3-Aminobenzisoxazol-5'-yl]-3-trifluoromethyl-6-[2'-(3-(R)-hydroxy-N-pyrrolidinyl)methyl-[1,1']-biphen-4-yl]-1,4,5,6-tetrahydropyrazolo-[3,4-c]-pyridin-7-one (BMS-740808) a highly potent, selective, efficacious, and orally bioavailable inhibitor of blood coagulation factor Xa.BDB Bioorg Med Chem Lett 16: 4141-7 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16730983 165 Diaryl substituted pyrrolidinones and pyrrolones as 5-HT2C inhibitors: synthesis and biological evaluation.EBI Bioorg Med Chem Lett 16: 3906-12 (2006) GlaxoSmithKline Psychiatry Centre of Excellence for Drug Discovery 2D 3D TSV
16730981 22 Amino substituted analogs of 1-phenyl-3-phenylimino-2-indolones with potent galanin Gal3 receptor binding affinity and improved solubility.EBI Bioorg Med Chem Lett 16: 3950-4 (2006) Lundbeck Research USA, Inc. 2D 3D TSV
16730979 16 Synthesis and SAR of pyrrolotriazine-4-one based Eg5 inhibitors.EBI Bioorg Med Chem Lett 16: 3937-42 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16730977 2 Synthesis and pharmacological characterization of novel fluorescent histamine H2-receptor ligands derived from aminopotentidine.EBI Bioorg Med Chem Lett 16: 3886-90 (2006) The University of Kansas 2D 3D TSV
16725323 28 The synthesis and SAR of 2-arylsulfanylphenyl-1-oxyalkylamino acids as GlyT-1 inhibitors.EBI Bioorg Med Chem Lett 16: 3981-4 (2006) H. Lundbeck A/S 2D 3D TSV
16725322 63 Discovery of 3-hydroxy-4-carboxyalkylamidino-5-arylamino-isothiazoles as potent MEK1 inhibitors.EBI Bioorg Med Chem Lett 16: 3975-80 (2006) Valeant Pharmaceutical Research and Development 2D 3D TSV
16725321 13 Novel, potent, selective, and orally bioavailable human betaII-tryptase inhibitors.EBI Bioorg Med Chem Lett 16: 4085-9 (2006) Celera Genomics 2D 3D TSV
16723229 108 Design and synthesis of butynyloxyphenyl beta-sulfone piperidine hydroxamates as TACE inhibitors.EBI Bioorg Med Chem Lett 16: 3927-31 (2006) Wyeth Research 2D 3D TSV
16723226 8 Design, synthesis, and biological evaluation of novel tricyclic HIV-1 integrase inhibitors by modification of its pyridine ring.EBI Bioorg Med Chem Lett 16: 3985-8 (2006) Gilead Sciences 2D 3D TSV
16723225 13 Design, synthesis, and SAR studies of novel and highly active tri-cyclic HIV integrase inhibitors.EBI Bioorg Med Chem Lett 16: 3989-92 (2006) Gilead Sciences, Inc. 2D 3D TSV
16723224 26 Design and synthesis of selective alpha1B adrenoceptor antagonists.EBI Bioorg Med Chem Lett 16: 4045-7 (2006) Toray Industries, Inc. 2D 3D TSV
16722663 12 Discovery of huperzine A-tacrine hybrids as potent inhibitors of human cholinesterases targeting their midgorge recognition sites.BDB J Med Chem 49: 3421-5 (2006) Universita di Siena 2D 3D TSV
16722662 2 Novel and selective alpha(v)beta3 receptor peptide antagonist: design, synthesis, and biological behavior.EBI J Med Chem 49: 3416-20 (2006) University of Naples Federico II 2D 3D TSV
16722660 60 Synthesis and biological evaluation of novel pyridazinone-based alpha4 integrin receptor antagonists.BDB J Med Chem 49: 3402-11 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16722659 33 Synthesis and structure-activity relationships of linear and conformationally constrained peptide analogues of CIYKYY as Src tyrosine kinase inhibitors.EBI J Med Chem 49: 3395-401 (2006) University of Rhode Island 2D 3D TSV
16722655 28 Discovery of a novel, orally active, small molecule gonadotropin-releasing hormone (GnRH) receptor antagonist.EBI J Med Chem 49: 3362-7 (2006) Pfizer Global Research & Development 2D 3D TSV
16722654 15 Structure-activity relationships of new 1H-imidazo[4,5-c]quinolin-4-amine derivatives as allosteric enhancers of the A3 adenosine receptor.EBI J Med Chem 49: 3354-61 (2006) Leiden University 2D 3D TSV
16722653 50 Inhibition of Plasmodium falciparum fatty acid biosynthesis: evaluation of FabG, FabZ, and FabI as drug targets for flavonoids.EBI J Med Chem 49: 3345-53 (2006) University of Zurich 2D 3D TSV
16722652 95 Substituent effects of N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides on positive allosteric modulation of the metabotropic glutamate-5 receptor in rat cortical astrocytes.EBI J Med Chem 49: 3332-44 (2006) Vanderbilt University School of Medicine 2D 3D TSV
16722646 24 A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitors.EBI J Med Chem 49: 3278-86 (2006) Università degli Studi di Siena 2D 3D TSV
16722642 1 Synthesis and pharmacological characterization of nicotinic acetylcholine receptor properties of (+)- and (-)-pyrido-[3,4-b]homotropanes.EBI J Med Chem 49: 3244-50 (2006) Research Triangle Institute 2D 3D TSV
16722637 39 Conformationally constrained analogues of diacylglycerol. 26. Exploring the chemical space surrounding the C1 domain of protein kinase C with DAG-lactones containing aryl groups at the sn-1 and sn-2 positions.EBI J Med Chem 49: 3185-203 (2006) National Cancer Institute-Frederick 2D 3D TSV
16722631 87 An integrated in silico 3D model-driven discovery of a novel, potent, and selective amidosulfonamide 5-HT1A agonist (PRX-00023) for the treatment of anxiety and depression.EBI J Med Chem 49: 3116-35 (2006) Predix Pharmaceuticals Ltd. 2D 3D TSV
16722630 100 Novel bis(1H-indol-2-yl)methanones as potent inhibitors of FLT3 and platelet-derived growth factor receptor tyrosine kinase.EBI J Med Chem 49: 3101-15 (2006) University of Regensburg 2D 3D TSV
16722627 35 Construction of human ghrelin receptor (hGHS-R1a) model using a fragmental prediction approach and validation through docking analysis.EBI J Med Chem 49: 3077-85 (2006) Universit£ di Milano 2D 3D TSV
16722626 94 cis-2,5-dicyanopyrrolidine inhibitors of dipeptidyl peptidase IV: synthesis and in vitro, in vivo, and X-ray crystallographic characterization.EBI J Med Chem 49: 3068-76 (2006) Pfizer Global Research and Development 2D 3D TSV
16722625 22 Novel peptidomimetic cysteine protease inhibitors as potential antimalarial agents.EBI J Med Chem 49: 3064-7 (2006) University of Messina 2D 3D TSV
16722623 12 Novel chromene-derived selective estrogen receptor modulators useful for alleviating hot flushes and vaginal dryness.EBI J Med Chem 49: 3056-9 (2006) Johnson & Johnson Pharmaceutical Research & Development LLC 2D 3D TSV
16722622 24 Discovery of proline sulfonamides as potent and selective hepatitis C virus NS5b polymerase inhibitors. Evidence for a new NS5b polymerase binding site.EBI J Med Chem 49: 3052-5 (2006) Wyeth Research 2D 3D TSV
16722621 3 New potent P-glycoprotein inhibitors carrying a polycyclic scaffold.EBI J Med Chem 49: 3049-51 (2006) University of Bologna 2D 3D TSV
16716589 15 Effect of substitution on novel tricyclic HIV-1 integrase inhibitors.EBI Bioorg Med Chem Lett 16: 4031-5 (2006) Gilead Sciences 2D 3D TSV
16716588 9 A gatekeeper residue for inhibitor sensitization of protein tyrosine phosphatases.EBI Bioorg Med Chem Lett 16: 4002-6 (2006) Amherst College 2D 3D TSV
16714109 40 Design of novel, potent, and selective human beta-tryptase inhibitors based on alpha-keto-[1,2,4]-oxadiazoles.EBI Bioorg Med Chem Lett 16: 4036-40 (2006) Celera 2D 3D TSV
16714108 20 Identification of thieno[3,2-b]pyrroles as allosteric inhibitors of hepatitis C virus NS5B polymerase.EBI Bioorg Med Chem Lett 16: 4026-30 (2006) MRL Rome 2D 3D TSV
16713265 1 5-benzylidene-hydantoins as new EGFR inhibitors with antiproliferative activity.EBI Bioorg Med Chem Lett 16: 4021-5 (2006) Università degli Studi di Parma 2D 3D TSV
16713259 30 Substituted N-(2-aminophenyl)-benzamides, (E)-N-(2-aminophenyl)-acrylamides and their analogues: novel classes of histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 16: 4048-52 (2006) MethylGene Inc. 2D 3D TSV
16709453 6 Binding of methoxy-substituted N1-benzenesulfonylindole analogs at human 5-HT6 serotonin receptors.EBI Bioorg Med Chem Lett 16: 3793-6 (2006) Virginia Commonwealth University 2D 3D TSV
16699172 59 Structural analysis of protein kinase A mutants with Rho-kinase inhibitor specificity.BDB J Biol Chem 281: 24818-30 (2006) German Cancer Research Center 2D 3D TSV
16698266 12 Putative therapeutic agents for the learning and memory deficits of people with Down syndrome.EBI Bioorg Med Chem Lett 16: 3772-6 (2006) Research Center IDRTech Inc. 2D 3D TSV
16698264 37 Discovery of 3,5-bis(trifluoromethyl)benzyl L-arylglycinamide based potent CCR2 antagonists.EBI Bioorg Med Chem Lett 16: 3735-9 (2006) Merck Research Laboratories 2D 3D TSV
16697641 5 Dipeptide vinyl sultams: synthesis via the Wittig-Horner reaction and activity against papain, falcipain-2 and Plasmodium falciparum.EBI Bioorg Med Chem Lett 16: 4115-9 (2006) University of Lisbon 2D 3D TSV
16697640 2 Nepsilon-thioacetyl-lysine: a multi-facet functional probe for enzymatic protein lysine Nepsilon-deacetylation.EBI Bioorg Med Chem Lett 16: 3651-6 (2006) University of Akron 2D 3D TSV
16697196 1 Structure-activity relationships of 1,5-biaryl pyrroles as EP1 receptor antagonists.EBI Bioorg Med Chem Lett 16: 3657-62 (2006) GlaxoSmithKline 2D 3D TSV
16697194 22 Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors.BDB Bioorg Med Chem Lett 16: 3784-8 (2006) GlaxoSmithKline 2D 3D TSV
16697193 26 Synthesis and structure-activity relationships of 3,4-diaminocyclobut-3-ene-1,2-dione CXCR2 antagonists.EBI Bioorg Med Chem Lett 16: 4107-10 (2006) Pharmacopeia Drug Discovery, Inc. 2D 3D TSV
16697192 59 New pyrrolopyrimidin-6-yl benzenesulfonamides: potent A2B adenosine receptor antagonists.EBI Bioorg Med Chem Lett 16: 3642-5 (2006) Rhône-Poulenc Rorer 2D 3D TSV
16697190 36 Potent hFPRL1 (ALXR) agonists as potential anti-inflammatory agents.EBI Bioorg Med Chem Lett 16: 3713-8 (2006) Amgen, Inc. 2D 3D TSV
16697189 131 Discovery of 3-arylpropionic acids as potent agonists of sphingosine-1-phosphate receptor-1 (S1P1) with high selectivity against all other known S1P receptor subtypes.EBI Bioorg Med Chem Lett 16: 3679-83 (2006) Merck Research Laboratories 2D 3D TSV
16697187 46 Design, synthesis, and SAR studies on a series of 2-pyridinylpiperazines as potent antagonists of the melanocortin-4 receptor.EBI Bioorg Med Chem Lett 16: 3693-6 (2006) Neurocrine Biosciences, Inc. 2D 3D TSV
16697186 17 Privileged structure based ligands for melanocortin receptors--4,4-disubstituted piperidine derivatives.EBI Bioorg Med Chem Lett 16: 3843-6 (2006) Lilly Research Laboratories 2D 3D TSV
16690725 29 Pharmacological characterization of the competitive GLUK5 receptor antagonist decahydroisoquinoline LY466195 in vitro and in vivo.BDB J Pharmacol Exp Ther 318: 772-81 (2006) Eli Lilly and Company 2D 3D TSV
16690315 37 Design and synthesis of orally efficacious benzimidazoles as melanin-concentrating hormone receptor 1 antagonists.EBI Bioorg Med Chem Lett 16: 3674-8 (2006) Schering Plough Research Institute 2D 3D TSV
16690314 13 BACE-1 inhibition by a series of psi[CH2NH] reduced amide isosteres.BDB Bioorg Med Chem Lett 16: 3635-8 (2006) Merck Research Laboratories 2D 3D TSV
16690312 110 Synthesis and structure-activity relationships of piperidine-based melanin-concentrating hormone receptor 1 antagonists.EBI Bioorg Med Chem Lett 16: 3668-73 (2006) Schering Plough Research Institute 2D 3D TSV
16686543 44 Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in leukemia cells.EBI J Med Chem 49: 3012-8 (2006) Universit£ di Bologna 2D 3D TSV
16686542 21 Design and synthesis of substrate and intermediate analogue inhibitors of S-ribosylhomocysteinase.EBI J Med Chem 49: 3003-11 (2006) The Ohio State University 2D 3D TSV
16686541 10 Discovery of a potent, nonpolyglutamatable inhibitor of glycinamide ribonucleotide transformylase.EBI J Med Chem 49: 2998-3002 (2006) The Scripps Research Institute 2D 3D TSV
16686540 47 Synthesis and biological evaluation of glycosidase inhibitors: gem-difluoromethylenated nojirimycin analogues.EBI J Med Chem 49: 2989-97 (2006) Chinese Academy of Sciences 2D 3D TSV
16686537 165 Optimization of subsite binding to the beta5 subunit of the human 20S proteasome using vinyl sulfones and 2-keto-1,3,4-oxadiazoles: syntheses and cellular properties of potent, selective proteasome inhibitors.EBI J Med Chem 49: 2953-68 (2006) Celera 2D 3D TSV
16686536 19 Application of the Goldilocks effect to the design of potent and selective inhibitors of phenylethanolamine N-methyltransferase: balancing pKa and steric effects in the optimization of 3-methyl-1,2,3,4-tetrahydroisoquinoline inhibitors by beta-fluorination.EBI J Med Chem 49: 2939-52 (2006) University of Kansas 2D 3D TSV
16686534 6 New 2-alkylidene 1alpha,25-dihydroxy-19-norvitamin D3 analogues of high intestinal activity: synthesis and biological evaluation of 2-(3'-alkoxypropylidene) and 2-(3'-hydroxypropylidene) derivatives.EBI J Med Chem 49: 2909-20 (2006) University of Wisconsin-Madison 2D 3D TSV
16686533 89 Evolution of the thienopyridine class of inhibitors of IkappaB kinase-beta: part I: hit-to-lead strategies.EBI J Med Chem 49: 2898-908 (2006) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
16686532 27 NO-donor phenols: a new class of products endowed with antioxidant and vasodilator properties.EBI J Med Chem 49: 2886-97 (2006) Università degli Studi di Torino 2D 3D TSV
16686531 26 Structural optimization of thiol-based inhibitors of glutamate carboxypeptidase II by modification of the P1' side chain.BDB J Med Chem 49: 2876-85 (2006) MGI Pharma 2D 3D TSV
16686530 68 Structure-activity relationships of bifunctional peptides based on overlapping pharmacophores at opioid and cholecystokinin receptors.BDB J Med Chem 49: 2868-75 (2006) University of Arizona at Tucson 2D 3D TSV
16686529 37 2,6-disubstituted and 2,6,8-trisubstituted purines as adenosine receptor antagonists.EBI J Med Chem 49: 2861-7 (2006) Leiden/Amsterdam Center for Drug Research 2D 3D TSV
16686528 40 The first potent inhibitor of mammalian group X secreted phospholipase A2: elucidation of sites for enhanced binding.EBI J Med Chem 49: 2858-60 (2006) University of Washington 2D 3D TSV
16682202 14 3-Substituted gem-cyclohexane sulfone based gamma-secretase inhibitors for Alzheimer's disease: conformational analysis and biological activity.EBI Bioorg Med Chem Lett 16: 3839-42 (2006) Merck Sharp and Dohme Research Laboratories 2D 3D TSV
16682201 37 Development of N-4,6-pyrimidine-N-alkyl-N'-phenyl ureas as orally active inhibitors of lymphocyte specific tyrosine kinase.EBI Bioorg Med Chem Lett 16: 3646-50 (2006) Procter & Gamble Pharmaceuticals 2D 3D TSV
16682200 41 Preparation of 1-(4-methoxyphenyl)-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-ones as potent, selective and bioavailable inhibitors of coagulation factor Xa.BDB Bioorg Med Chem Lett 16: 3755-60 (2006) Bristol-Myers Squibb Company 2D 3D TSV
16682198 4 Synthesis of a potential photoactivatable anandamide analog.EBI Bioorg Med Chem Lett 16: 3765-8 (2006) Université Montpellier 1 2D 3D TSV
16682196 19 Cyclobutane derivatives as potent NK1 selective antagonists.EBI Bioorg Med Chem Lett 16: 3859-63 (2006) Schering-Plough Research Institute 2D 3D TSV
16682195 37 Novel gamma-secretase inhibitors discovered by library screening of in-house synthetic natural product intermediates.EBI Bioorg Med Chem Lett 16: 3813-6 (2006) University of Tokyo 2D 3D TSV
16682193 62 Discovery and SAR of 2-amino-5-(thioaryl)thiazoles as potent and selective Itk inhibitors.EBI Bioorg Med Chem Lett 16: 3706-12 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16682191 21 Opioid receptor binding and antinociceptive activity of the analogues of endomorphin-2 and morphiceptin with phenylalanine mimics in the position 3 or 4.EBI Bioorg Med Chem Lett 16: 3688-92 (2006) Lanzhou University 2D 3D TSV
16682188 22 Critical modifications of the ISO-1 scaffold improve its potent inhibition of macrophage migration inhibitory factor (MIF) tautomerase activity.EBI Bioorg Med Chem Lett 16: 3376-9 (2006) Institute for Medical Research 2D 3D TSV
16682186 16 Synthesis and evaluation of N-acyl sulfonamides as potential prodrugs of cyclin-dependent kinase inhibitor JNJ-7706621.EBI Bioorg Med Chem Lett 16: 3639-41 (2006) Johnson & Johnson Pharmaceutical Research & Development LLC 2D 3D TSV
16682185 76 Highly selective and potent agonists of sphingosine-1-phosphate 1 (S1P1) receptor.EBI Bioorg Med Chem Lett 16: 3684-7 (2006) Merck & Co. 2D 3D TSV
16682184 25 Identification of potent 5-pyrimidinyl-2-aminothiazole CDK4, 6 inhibitors with significant selectivity over CDK1, 2, 5, 7, and 9.EBI Bioorg Med Chem Lett 16: 3751-4 (2006) Banyu Tsukuba Research Institute 2D 3D TSV
16681368 50 Structure-guided design of peptide-based tryptase inhibitors.BDB Biochemistry 45: 5964-73 (2006) Celera 2D 3D TSV
16678415 21 Design of cyclic peptides with agonist activity at melanocortin receptor-4.EBI Bioorg Med Chem Lett 16: 3723-6 (2006) Asahi Kasei Pharma Corporation 2D 3D TSV
16678414 25 3-Benzimidazol-2-yl-1H-indazoles as potent c-ABL inhibitors.EBI Bioorg Med Chem Lett 16: 3789-92 (2006) Chiron Corporation 2D 3D TSV
16678413 28 Identification of a novel 3,5-disubstituted pyridine as a potent, selective, and orally active inhibitor of Akt1 kinase.BDB Bioorg Med Chem Lett 16: 3740-4 (2006) Abbott Laboratories 2D 3D TSV
16678412 4 Nanomolar inhibition of the enterobactin biosynthesis enzyme, EntE: synthesis, substituent effects, and additivity.EBI Bioorg Med Chem Lett 16: 3802-5 (2006) University of North Carolina 2D 3D TSV
16678409 10 Array synthesis of progesterone receptor antagonists: 3-aryl-1,2-diazepines.EBI Bioorg Med Chem Lett 16: 3777-9 (2006) GlaxoSmithKline 2D 3D TSV
16678408 32 Design and synthesis of noncompetitive metabotropic glutamate receptor subtype 5 antagonists.EBI Bioorg Med Chem Lett 16: 3371-5 (2006) National Institute on Drug Abuse 2D 3D TSV
16677814 67 Synthesis and SAR of novel histamine H3 receptor antagonists.EBI Bioorg Med Chem Lett 16: 3415-8 (2006) Lilly Research Laboratories 2D 3D TSV
16677813 12 Design, synthesis and evaluation of novel uracil amino acid conjugates for the inhibition of Trypanosoma cruzi dUTPase.EBI Bioorg Med Chem Lett 16: 3809-12 (2006) Cardiff University 2D 3D TSV
16677812 26 Arylpiperazines with N-acylated amino acids as 5-HT1A receptor ligands.EBI Bioorg Med Chem Lett 16: 3406-10 (2006) Université Montpellier I et II 2D 3D TSV
16677001 16 Strategy for discovering chemical inhibitors of human cyclophilin a: focused library design, virtual screening, chemical synthesis and bioassay.BDB J Comb Chem 8: 326-37 East China Univesity of Science and Technology 2D 3D TSV
16675639 28 Desvenlafaxine succinate: A new serotonin and norepinephrine reuptake inhibitor.BDB J Pharmacol Exp Ther 318: 657-65 (2006) Wyeth Research 2D 3D TSV
16675217 18 Bivalent inhibitors of glutathione S-transferase: the effect of spacer length on isozyme selectivity.EBI Bioorg Med Chem Lett 16: 3780-3 (2006) Syntrix Biosytems 2D 3D TSV
16650987 10 Efforts toward oral bioavailability in factor VIIa inhibitors.EBI Bioorg Med Chem Lett 16: 3829-32 (2006) Celera 2D 3D TSV
16650985 1 A highly selective kappa-opioid receptor agonist with low addictive potential and dependence liability.EBI Bioorg Med Chem Lett 16: 3609-13 (2006) KAIST 2D 3D TSV
16650984 59 Inhibitors of HCV NS5B polymerase: synthesis and structure-activity relationships of N-1-benzyl and N-1-[3-methylbutyl]-4-hydroxy-1,8-naphthyridon-3-yl benzothiadiazine analogs containing substituents on the aromatic ring.EBI Bioorg Med Chem Lett 16: 3833-8 (2006) Abbott Laboratories 2D 3D TSV
16650764 49 Inhibitors of HCV NS5B polymerase: synthesis and structure-activity relationships of N-alkyl-4-hydroxyquinolon-3-yl-benzothiadiazine sulfamides.EBI Bioorg Med Chem Lett 16: 3367-70 (2006) Abbott Laboratories 2D 3D TSV
16650763 27 Privileged structure based ligands for melanocortin-4 receptors--aliphatic piperazine derivatives.EBI Bioorg Med Chem Lett 16: 3449-53 (2006) Lilly Research Laboratories 2D 3D TSV
16650762 30 Synthesis and SAR of 1,3-disubstituted cyclohexylmethyl urea and amide derivatives as non-peptidic motilin receptor antagonists.EBI Bioorg Med Chem Lett 16: 3362-6 (2006) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
16647258 11 Racemic and chiral sulfoxides as potential prodrugs of 4-pyrone COX-2 inhibitors.EBI Bioorg Med Chem Lett 16: 3605-8 (2006) Rhône-Poulenc Rorer 2D 3D TSV
16647257 17 Novel 1,4-benzodiazepine-2,5-diones as Hdm2 antagonists with improved cellular activity.BDB Bioorg Med Chem Lett 16: 3463-8 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16647256 16 Dipeptidyl nitriles as human dipeptidyl peptidase I inhibitors.EBI Bioorg Med Chem Lett 16: 3614-7 (2006) Arpida A/S 2D 3D TSV
16644221 37 Discovery and SAR of oxindole-pyridine-based protein kinase B/Akt inhibitors for treating cancers.BDB Bioorg Med Chem Lett 16: 3424-9 (2006) Abbott Laboratories 2D 3D TSV
16644220 29 Thiazolo[5,4-f]quinazolin-9-ones, inhibitors of glycogen synthase kinase-3.EBI Bioorg Med Chem Lett 16: 3419-23 (2006) Université de La Rochelle 2D 3D TSV
16644218 27 Heteroaryl substituted bis-trifluoromethyl carbinols as malonyl-CoA decarboxylase inhibitors.EBI Bioorg Med Chem Lett 16: 3484-8 (2006) Chugai Pharma LLC. 2D 3D TSV
16644217 48 Identification and characterization of 4-aryl-3,4-dihydropyrimidin-2(1H)-ones as inhibitors of the fatty acid transporter FATP4.EBI Bioorg Med Chem Lett 16: 3504-9 (2006) Millennium Pharmaceuticals, Inc. 2D 3D TSV
16644215 52 Design and synthesis of selective keto-1,2,4-oxadiazole-based tryptase inhibitors.EBI Bioorg Med Chem Lett 16: 3434-9 (2006) Celera Genomics 2D 3D TSV
16644213 39 Lysine sulfonamides as novel HIV-protease inhibitors: Nepsilon-acyl aromatic alpha-amino acids.BDB Bioorg Med Chem Lett 16: 3459-62 (2006) Ambrilia Biopharma Inc. 2D 3D TSV
16643060 3 Sundaicumones A and B, polyprenylated acylphloroglucinol derivatives from Calophyllumsundaicum with weak activity against the glucocorticoid receptor.EBI J Nat Prod 69: 707-9 (2006) MerLion Pharmaceuticals 2D 3D TSV
16643058 7 Interference by naturally occurring fatty acids in a noncellular enzyme-based aromatase bioassay.EBI J Nat Prod 69: 700-3 (2006) University of Illinois at Chicago 2D 3D TSV
16643023 2 Bioassay for the identification of natural product-based activators of peroxisome proliferator-activated receptor-gamma (PPARgamma): the marine sponge metabolite psammaplin A activates PPARgamma and induces apoptosis in human breast tumor cells.EBI J Nat Prod 69: 547-52 (2006) University of Mississippi 2D 3D TSV
16643021 5 Serotonergic activity-guided phytochemical investigation of the roots of Angelica sinensis.EBI J Nat Prod 69: 536-41 (2006) University of Illinois at Chicago 2D 3D TSV
16640346 24 Synthesis of biphenyltrienes as probes for beta-amyloid plaques.EBI J Med Chem 49: 2841-4 (2006) University of Pennsylvania 2D 3D TSV
16640345 9 Biological evaluation of bishydroxymethyl-substituted cage dimeric 1,4-dihydropyridines as a novel class of p-glycoprotein modulating agents in cancer cells.EBI J Med Chem 49: 2838-40 (2006) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
16640339 41 Discovery of a piperidine-4-carboxamide CCR5 antagonist (TAK-220) with highly potent Anti-HIV-1 activity.EBI J Med Chem 49: 2784-93 (2006) Takeda Pharmaceutical Company Limited 2D 3D TSV
16640337 47 Biarylaniline phenethanolamines as potent and selective beta3 adrenergic receptor agonists.EBI J Med Chem 49: 2758-71 (2006) GlaxoSmithKline 2D 3D TSV
16640336 16 Discovery of SCH446211 (SCH6): a new ketoamide inhibitor of the HCV NS3 serine protease and HCV subgenomic RNA replication.BDB J Med Chem 49: 2750-7 (2006) Schering-Plough Research Institute 2D 3D TSV
16640335 39 Indanesulfonamides as carbonic anhydrase inhibitors. Toward structure-based design of selective inhibitors of the tumor-associated isozyme CA IX.BDB J Med Chem 49: 2743-9 (2006) University of Namur 2D 3D TSV
16640334 10 [2-11C]isopropyl-, [1-11C]ethyl-, and [11C]methyl-labeled phenoxyphenyl acetamide derivatives as positron emission tomography ligands for the peripheral benzodiazepine receptor: radiosynthesis, uptake, and in vivo binding in brain.EBI J Med Chem 49: 2735-42 (2006) National Institute of Radiological Sciences 2D 3D TSV
16640332 8 Novel benzofuran derivatives for PET imaging of beta-amyloid plaques in Alzheimer's disease brains.EBI J Med Chem 49: 2725-30 (2006) Nagasaki University 2D 3D TSV
16640330 5 Structure-based drug design of a novel family of PPARgamma partial agonists: virtual screening, X-ray crystallography, and in vitro/in vivo biological activities.EBI J Med Chem 49: 2703-12 (2006) National Health Research Institutes 2D 3D TSV
16640329 50 Orthogonal activation of the reengineered A3 adenosine receptor (neoceptor) using tailored nucleoside agonists.EBI J Med Chem 49: 2689-702 (2006) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
16640328 13 Design and synthesis of 8-octyl-benzolactam-V9, a selective activator for protein kinase C epsilon and eta.EBI J Med Chem 49: 2681-8 (2006) Kyoto University 2D 3D TSV
16640325 41 Design, synthesis, and progress toward optimization of potent small molecule antagonists of CC chemokine receptor 8 (CCR8).EBI J Med Chem 49: 2669-72 (2006) Millennium Pharmaceuticals 2D 3D TSV
16638531 16 Stable benzotriazole esters as mechanism-based inactivators of the severe acute respiratory syndrome 3CL protease.BDB Chem Biol 13: 261-8 (2006) Academia Sinica 2D 3D TSV
16634628 42 Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir.BDB Biochemistry 45: 5468-77 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16632359 27 Discovery of novel isothiazole inhibitors of the TrkA kinase: structure-activity relationship, computer modeling, optimization, and identification of highly potent antagonists.BDB Bioorg Med Chem Lett 16: 3444-8 (2006) Pfizer 2D 3D TSV
16632358 68 Synthesis and SAR of alpha-sulfonylcarboxylic acids as potent matrix metalloproteinase inhibitors.EBI Bioorg Med Chem Lett 16: 3096-100 (2006) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
16632357 89 The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands.EBI Bioorg Med Chem Lett 16: 3489-94 (2006) Merck Research Laboratories 2D 3D TSV
16632356 22 Development of N-2,4-pyrimidine-N-phenyl-N'-phenyl ureas as inhibitors of tumor necrosis factor alpha (TNF-alpha) synthesis. Part 1.EBI Bioorg Med Chem Lett 16: 3510-3 (2006) Procter and Gamble Pharmaceuticals 2D 3D TSV
16632355 116 3-(4-Piperidinyl)indoles and 3-(4-piperidinyl)pyrrolo-[2,3-b]pyridines as ligands for the ORL-1 receptor.EBI Bioorg Med Chem Lett 16: 3524-8 (2006) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
16632354 61 A new class of selective, non-basic 5-HT2A receptor antagonists.EBI Bioorg Med Chem Lett 16: 3201-4 (2006) Merck Sharp & Dohme 2D 3D TSV
16632353 14 Development of sulfonamide compounds as potent methionine aminopeptidase type II inhibitors with antiproliferative properties.BDB Bioorg Med Chem Lett 16: 3574-7 (2006) Abbott Laboratories 2D 3D TSV
16632349 2 Synthesis and evaluation of N-aryl pyrrolidinones as novel anti-HIV-1 agents. Part 1.EBI Bioorg Med Chem Lett 16: 3430-3 (2006) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
16631366 26 Modulators of the human CCR5 receptor. Part 3: SAR of substituted 1-[3-(4-methanesulfonylphenyl)-3-phenylpropyl]-piperidinyl phenylacetamides.EBI Bioorg Med Chem Lett 16: 3533-6 (2006) AstraZeneca 2D 3D TSV
16630722 13 Enantiomerically pure 1,4-benzodiazepine-2,5-diones as Hdm2 antagonists.BDB Bioorg Med Chem Lett 16: 3115-20 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16630721 57 Development of lipopeptides for inhibiting 20S proteasomes.EBI Bioorg Med Chem Lett 16: 3277-81 (2006) CNRS-Université Paris VI 2D 3D TSV
16629828 11 The discovery of tropane-derived CCR5 receptor antagonists.EBI Chem Biol Drug Des 67: 305-8 (2006) TBA 2D 3D TSV
16621574 28 Dose-dependent antithrombotic activity of an orally active tissue factor/factor VIIa inhibitor without concomitant enhancement of bleeding propensity.BDB Bioorg Med Chem 14: 5357-69 (2006) F. Hoffmann-La Roche Ltd. 2D 3D TSV
16621571 29 Structure-activity studies of a novel series of 5,6-fused heteroaromatic ureas as TRPV1 antagonists.BDB Bioorg Med Chem 14: 4740-9 (2006) Abbott Laboratories 2D 3D TSV
16621556 12 Synthetic studies of neoclerodane diterpenes from Salvia divinorum: selective modification of the furan ring.EBI Bioorg Med Chem Lett 16: 3170-4 (2006) The University of Iowa 2D 3D TSV
16621553 52 Synthesis and biological investigation of S-aryl-S-DABO derivatives as HIV-1 inhibitors.EBI Bioorg Med Chem Lett 16: 3541-4 (2006) Universit£ degli Studi di Siena 2D 3D TSV
16621550 27 Phosphonic acid-containing analogues of mycophenolic acid as inhibitors of IMPDH.EBI Bioorg Med Chem Lett 16: 3479-83 (2006) Gilead Sciences, Inc. 2D 3D TSV
16621549 40 Novel 5-azaindole factor VIIa inhibitors.BDB Bioorg Med Chem Lett 16: 3197-200 (2006) Celera 2D 3D TSV
16621546 54 Design, synthesis, and biological evaluation of indole derivatives as novel nociceptin/orphanin FQ (N/OFQ) receptor antagonists.EBI Bioorg Med Chem Lett 16: 3569-73 (2006) Banyu Tsukuba Research Institute 2D 3D TSV
16621545 6 Synthesis of Hsp90 dimerization modulators.EBI Bioorg Med Chem Lett 16: 3529-32 (2006) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
16621543 59 2-Aryl(pyrrolidin-4-yl)acetic acids are potent agonists of sphingosine-1-phosphate (S1P) receptors.EBI Bioorg Med Chem Lett 16: 3564-8 (2006) Merck Research Laboratories 2D 3D TSV
16621541 38 2,3,7-Trisubstituted pyrazolo[1,5-d][1,2,4]triazines: functionally selective GABAA alpha3-subtype agonists.EBI Bioorg Med Chem Lett 16: 3550-4 (2006) Merck Sharp and Dohme Research Laboratories 2D 3D TSV
16621539 13 Function of the alkyl side chains of Deltalac-acetogenins in the inhibitory effect on mitochondrial complex I (NADH-ubiquinone oxidoreductase).EBI Bioorg Med Chem Lett 16: 3555-8 (2006) Kyoto University 2D 3D TSV
16621538 35 Evaluation of the eutomer of 4-{3-(4-chlorophenyl)-3-hydroxypyrrolidin-1-yl}-1-(4-fluorophenyl)butan-1-one, {(+)-SYA 09}, a pyrrolidine analog of haloperidol.EBI Bioorg Med Chem Lett 16: 3219-23 (2006) Florida A& M University 2D 3D TSV
16621537 19 Carbonic anhydrase inhibitors: inhibition of the cytosolic human isozyme VII with anions.EBI Bioorg Med Chem Lett 16: 3139-43 (2006) Universit£ degli Studi di Firenze 2D 3D TSV
16621534 87 Synthesis of pyrazoles and isoxazoles as potent alpha(v)beta3 receptor antagonists.EBI Bioorg Med Chem Lett 16: 3156-61 (2006) Pfizer Inc. 2D 3D TSV
16621533 4 Inhibitory activity of cyclohexenyl chalcone derivatives and flavonoids of fingerroot, Boesenbergia rotunda (L.), towards dengue-2 virus NS3 protease.EBI Bioorg Med Chem Lett 16: 3337-40 (2006) Sunway University College 2D 3D TSV
16620080 15 Design, synthesis and X-ray structure of protein-ligand complexes: important insight into selectivity of memapsin 2 (beta-secretase) inhibitors.BDB J Am Chem Soc 128: 5310-1 (2006) Purdue University 2D 3D TSV
16617018 4 Diphenylmethane skeleton as a multi-template for nuclear receptor ligands: preparation of FXR and PPAR ligands.EBI Bioorg Med Chem Lett 16: 3213-8 (2006) University of Tokyo 2D 3D TSV
16617016 13 3,4-Fused cyclohexyl sulfones as gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 16: 3073-7 (2006) Neuroscience Research Centre 2D 3D TSV
16616495 28 Novel alkylpolyaminoguanidines and alkylpolyaminobiguanides with potent antitrypanosomal activity.EBI Bioorg Med Chem Lett 16: 3229-32 (2006) Wayne State University 2D 3D TSV
16616494 4 Racemic and chiral sulfoxides as potential prodrugs of the COX-2 inhibitors Vioxx and Arcoxia.EBI Bioorg Med Chem Lett 16: 3209-12 (2006) Rhône-Poulenc Rorer 2D 3D TSV
16616493 14 Benzo[b]thiophene-2-carboxamides and benzo[b]furan-2-carboxamides are potent antagonists of the human H3-receptor.EBI Bioorg Med Chem Lett 16: 3162-5 (2006) Novo Nordisk A/S 2D 3D TSV
16616492 3 A practical synthesis of the major 3-hydroxy-2-pyrrolidinone metabolite of a potent CDK2/cyclin A inhibitor.BDB Bioorg Med Chem Lett 16: 3205-8 (2006) Nerviano Medical Sciences 2D 3D TSV
16616489 29 Suzuki-type Pd(0) coupling reactions in the synthesis of 2-arylpurines as Cdk inhibitors.BDB Bioorg Med Chem Lett 16: 3144-6 (2006) Institut Curie 2D 3D TSV
16611214 84 Synthesis and molecular modelling of novel substituted-4,5-dihydro-(1H)-pyrazole derivatives as potent and highly selective monoamine oxidase-A inhibitors.BDB Chem Biol Drug Des 67: 206-14 (2006) Università degli Studi di Roma 2D 3D TSV
16611213 6 Substituted 1,4-benzodiazepine-2,5-diones as alpha-helix mimetic antagonists of the HDM2-p53 protein-protein interaction.BDB Chem Biol Drug Des 67: 201-5 (2006) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
16610810 39 Neuropeptide Y (NPY) Y4 receptor selective agonists based on NPY(32-36): development of an anorectic Y4 receptor selective agonist with picomolar affinity.EBI J Med Chem 49: 2661-5 (2006) University of Cincinnati 2D 3D TSV
16610809 7 Synthesis and biological evaluation of cyclopropyl analogues of fosmidomycin as potent Plasmodium falciparum growth inhibitors.EBI J Med Chem 49: 2656-60 (2006) Ghent University 2D 3D TSV
16610804 39 Design and synthesis of 1-indol-1-yl-propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha.EBI J Med Chem 49: 2611-20 (2006) University of Münster 2D 3D TSV
16610803 40 A pyridazine series of alpha2/alpha3 subtype selective GABA A agonists for the treatment of anxiety.EBI J Med Chem 49: 2600-10 (2006) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
16610802 4 Investigating the role of stereochemistry in the activity of anticancer acylfulvenes: synthesis, reductase-mediated bioactivation, and cellular toxicity.EBI J Med Chem 49: 2593-9 (2006) University of Minnesota 2D 3D TSV
16610801 34 Structure-activity relationship studies on N3-substituted willardiine derivatives acting as AMPA or kainate receptor antagonists.EBI J Med Chem 49: 2579-92 (2006) University Walk 2D 3D TSV
16610800 36 2,4-diaminopyrimidine derivatives as potent growth hormone secretagogue receptor antagonists.BDB J Med Chem 49: 2568-78 (2006) Abbott Laboratories 2D 3D TSV
16610798 5 A chemical switch for the modulation of the functional activity of higher homologues of histamine on the human histamine H3 receptor: effect of various substitutions at the primary amino function.EBI J Med Chem 49: 2549-57 (2006) Vrije Universiteit Amsterdam 2D 3D TSV
16610795 10 4-quinolone derivatives: high-affinity ligands at the benzodiazepine site of brain GABA A receptors. synthesis, pharmacology, and pharmacophore modeling.EBI J Med Chem 49: 2526-33 (2006) Lund University 2D 3D TSV
16610792 15 Refinement of the benzodiazepine receptor site topology by structure-activity relationships of new N-(heteroarylmethyl)indol-3-ylglyoxylamides.EBI J Med Chem 49: 2489-95 (2006) Universit£ di Pisa 2D 3D TSV
16610788 5 Anthranilic acid based CCK1 receptor antagonists and CCK-8 have a common step in their"receptor desmodynamic processes".EBI J Med Chem 49: 2456-62 (2006) University of Naples Federico II 2D 3D TSV
16610787 112 Synthesis and characterization of 3-arylquinazolinone and 3-arylquinazolinethione derivatives as selective estrogen receptor beta modulators.BDB J Med Chem 49: 2440-55 (2006) Bristol-Myers Squibb Company 2D 3D TSV
16610785 20 Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.EBI J Med Chem 49: 2417-30 (2006) Vrije Universiteit 2D 3D TSV
16610783 7 Practical synthesis and evaluation of the biological activities of 1alpha,25-dihydroxyvitamin D3 antagonists, 1alpha,25-dihydroxyvitamin D3-26,23-lactams. Designed on the basis of the helix 12-folding inhibition hypothesis.EBI J Med Chem 49: 2398-406 (2006) University of Tokyo 2D 3D TSV
16610782 2 Slow-binding human serine racemase inhibitors from high-throughput screening of combinatorial libraries.EBI J Med Chem 49: 2388-97 (2006) University of California 2D 3D TSV
16610779 10 Identification of ellagic acid as potent inhibitor of protein kinase CK2: a successful example of a virtual screening application.EBI J Med Chem 49: 2363-6 (2006) Università di Padova 2D 3D TSV
16603357 6 Flexible synthesis and biological evaluation of novel 5-deoxyadenophorine analogues.EBI Bioorg Med Chem Lett 16: 3262-7 (2006) Université de Nantes 2D 3D TSV
16603356 27 Kinesin spindle protein (KSP) inhibitors. Part 4: Structure-based design of 5-alkylamino-3,5-diaryl-4,5-dihydropyrazoles as potent, water-soluble inhibitors of the mitotic kinesin KSP.BDB Bioorg Med Chem Lett 16: 3175-9 (2006) Merck Research Laboratories 2D 3D TSV
16603355 44 Isoquinoline-pyridine-based protein kinase B/Akt antagonists: SAR and in vivo antitumor activity.BDB Bioorg Med Chem Lett 16: 3150-5 (2006) Abbott Laboratories 2D 3D TSV
16603354 15 4-(Aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK-1 inhibitors.EBI Bioorg Med Chem Lett 16: 3121-4 (2006) Chiron Corporation 2D 3D TSV
16603353 26 Discovery of indole-containing tetracycles as a new scaffold for androgen receptor ligands.EBI Bioorg Med Chem Lett 16: 3233-7 (2006) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
16603352 89 Design and structure-activity relationship of 3-benzimidazol-2-yl-1H-indazoles as inhibitors of receptor tyrosine kinases.EBI Bioorg Med Chem Lett 16: 3595-9 (2006) Chiron Corporation 2D 3D TSV
16603348 12 P3 and P4 position analysis of vinyl ester pseudopeptide proteasome inhibitors.EBI Bioorg Med Chem Lett 16: 3125-30 (2006) University of Ferrara 2D 3D TSV
16600594 23 Enhanced pharmacokinetic properties of 1,4-benzodiazepine-2,5-dione antagonists of the HDM2-p53 protein-protein interaction through structure-based drug design.BDB Bioorg Med Chem Lett 16: 3310-4 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16597152 12 Identification of a potent botulinum neurotoxin a protease inhibitor using in situ lead identification chemistry.BDB Org Lett 8: 1729-32 (2006) The Scripps Research Institute 2D 3D TSV
16584130 95 Selectivity and potency of cyclin-dependent kinase inhibitors.EBI AAPS J 8: 204-21 (2006) Georgetown University 2D 3D TSV
16581245 72 Substituted pyrrolidine-2,4-dicarboxylic acid amides as potent dipeptidyl peptidase IV inhibitors.BDB Bioorg Med Chem Lett 16: 3268-72 (2006) National Health Research Institutes 2D 3D TSV
16580205 63 2,5-Disubstituted pyrrolidine carboxylates as potent, orally active sphingosine-1-phosphate (S1P) receptor agonists.EBI Bioorg Med Chem Lett 16: 2905-8 (2006) Merck Research Laboratories 2D 3D TSV
16580202 21 Discovery of SB-705498: a potent, selective and orally bioavailable TRPV1 antagonist suitable for clinical development.BDB Bioorg Med Chem Lett 16: 3287-91 (2006) GSK 2D 3D TSV
16580201 4 Diarylacetylene piperidinyl amides as novel anxiolytics.EBI Bioorg Med Chem Lett 16: 3065-7 (2006) Johnson & Johnson Pharmaceutical Research and Development LLC 2D 3D TSV
16580200 13 Protein tyrosine phosphatase 1B inhibitory activity of triterpenes isolated from Astilbe koreana.EBI Bioorg Med Chem Lett 16: 3273-6 (2006) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
16580199 46 Identification of 2-acylaminothiophene-3-carboxamides as potent inhibitors of FLT3.EBI Bioorg Med Chem Lett 16: 3282-6 (2006) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
16574416 10 Identification of chemically diverse Chk1 inhibitors by receptor-based virtual screening.BDB Bioorg Med Chem 14: 4792-802 (2006) Vernalis (R&D) Ltd 2D 3D TSV
16574413 28 NK1 antagonists based on seven membered lactam scaffolds.EBI Bioorg Med Chem Lett 16: 2929-32 (2006) Merck Sharp and Dohme Research Laboratories 2D 3D TSV
16574411 4 Synthesis and evaluation of two 18F-labeled imidazo[1,2-a]pyridine analogues as potential agents for imaging beta-amyloid in Alzheimer's disease.EBI Bioorg Med Chem Lett 16: 3015-8 (2006) Emory University 2D 3D TSV
16570930 16 Screening for cardiovascular safety: a structure-activity approach for guiding lead selection of melanin concentrating hormone receptor 1 antagonists.EBI J Med Chem 49: 2339-52 (2006) Abbott Laboratories 2D 3D TSV
16570929 29 Oxyhomologues of anandamide and related endolipids: chemoselective synthesis and biological activity.EBI J Med Chem 49: 2333-8 (2006) Farmaceutiche 2D 3D TSV
16570928 16 Development of the first potential covalent inhibitors of anandamide cellular uptake.EBI J Med Chem 49: 2320-32 (2006) Institute of Biomolecular Chemistry 2D 3D TSV
16570926 42 Discovery of orally efficacious melanin-concentrating hormone receptor-1 antagonists as antiobesity agents. Synthesis, SAR, and biological evaluation of bicyclo[3.1.0]hexyl ureas.EBI J Med Chem 49: 2294-310 (2006) Schering-Plough Research Institute 2D 3D TSV
16570923 8 Design, synthesis, and evaluation of near infrared fluorescent multimeric RGD peptides for targeting tumors.EBI J Med Chem 49: 2268-75 (2006) Washington University 2D 3D TSV
16570921 20 Novel, achiral 1,3,4-benzotriazepine analogues of 1,4-benzodiazepine-based CCK(2) antagonists that display high selectivity over CCK(1) receptors.EBI J Med Chem 49: 2253-61 (2006) James Black Foundation 2D 3D TSV
16570918 49 Synthesis and evaluation of heteroaryl-substituted dihydronaphthalenes and indenes: potent and selective inhibitors of aldosterone synthase (CYP11B2) for the treatment of congestive heart failure and myocardial fibrosis.BDB Pharmacol Rev 49: 2222-31 (2006) Saarland University 2D 3D TSV
16570917 32 Discovery of 4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridin-2-yl}-N-(tetrahydro-2H- pyran-4-yl)benzamide (GW788388): a potent, selective, and orally active transforming growth factor-beta type I receptor inhibitor.EBI J Med Chem 49: 2210-21 (2006) GlaxoSmithKline 2D 3D TSV
16570914 32 Identification of potent and selective inhibitors of PDGF receptor autophosphorylation.EBI J Med Chem 49: 2186-92 (2006) Kirin Brewery Co., Ltd. 2D 3D TSV
16570913 65 Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.BDB J Med Chem 49: 2174-85 (2006) National Institutes of Health 2D 3D TSV
16570912 24 Design, synthesis, and biological evaluation of semicarbazide-sensitive amine oxidase (SSAO) inhibitors with anti-inflammatory activity.EBI J Med Chem 49: 2166-73 (2006) La Jolla Pharmaceutical Company 2D 3D TSV
16570909 21 Nanomolar inhibitors of the peptidyl prolyl cis/trans isomerase Pin1 from combinatorial peptide libraries.EBI J Med Chem 49: 2147-50 (2006) Max Planck Research Unit for Enzymology of Protein Folding 2D 3D TSV
16570908 39 Discovery and preclinical studies of (R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5- methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan- 2-ol (BMS-540215), an in vivo active potent VEGFR-2 inhibitor.EBI J Med Chem 49: 2143-6 (2006) Pharmaceutical Research Institute 2D 3D TSV
16565716 4 Chemical modulation of receptor signaling inhibits regenerative angiogenesis in adult zebrafish.EBI Nat Chem Biol 2: 265-73 (2006) Dana-Farber Cancer Institute 2D 3D TSV
16563764 100 Synthesis and biological investigations of dopaminergic partial agonists preferentially recognizing the D4 receptor subtype.EBI Bioorg Med Chem Lett 16: 2955-9 (2006) Friedrich-Alexander University 2D 3D TSV
16563761 48 Synthetic analogues of the manzamenones and plakoridines which inhibit DNA polymerase.EBI Bioorg Med Chem Lett 16: 2877-81 (2006) The University of Manchester 2D 3D TSV
16563760 24 The search for novel TRPV1-antagonists: from carboxamides to benzimidazoles and indazolones.EBI Bioorg Med Chem Lett 16: 2872-6 (2006) Merck Sharp & Dohme 2D 3D TSV
16563759 2 A new non-azole inhibitor of ABA 8'-hydroxylase: effect of the hydroxyl group substituted for geminal methyl groups in the six-membered ring.EBI Bioorg Med Chem Lett 16: 3302-5 (2006) Shizuoka University 2D 3D TSV
16563752 38 Discovery and initial SAR of inhibitors of interleukin-1 receptor-associated kinase-4.EBI Bioorg Med Chem Lett 16: 2842-5 (2006) Amgen Inc. 2D 3D TSV
16563751 1 Two novel aromatic valerenane-type sesquiterpenes from the Chinese green alga Caulerpa taxifolia.EBI Bioorg Med Chem Lett 16: 2947-50 (2006) Chinese Academy of Sciences 2D 3D TSV
16562853 22 Alkaloids from Eschscholzia californica and their capacity to inhibit binding of [3H]8-Hydroxy-2-(di-N-propylamino)tetralin to 5-HT1A receptors in Vitro.EBI J Nat Prod 69: 432-5 (2006) Tom's of Maine 2D 3D TSV
16562850 1 Bioactive dammarane triterpenes from the mangrove plant Bruguiera gymnorrhiza.EBI J Nat Prod 69: 421-4 (2006) Mahidol University 2D 3D TSV
16554355 47 N1-(3-cyclohexylbutanoyl)-N2-[3-(1H-imidazol-4-yl)propyl]guanidine (UR-AK57), a potent partial agonist for the human histamine H1- and H2-receptors.BDB J Pharmacol Exp Ther 317: 1262-8 (2006) University of Kansas 2D 3D TSV
16554154 9 Development of activity-based probes for trypsin-family serine proteases.EBI Bioorg Med Chem Lett 16: 2882-5 (2006) Celera Genomics 2D 3D TSV
16554152 12 A series of 5-aminosubstituted 4-fluorobenzyl-8-hydroxy-[1,6]naphthyridine-7-carboxamide HIV-1 integrase inhibitors.EBI Bioorg Med Chem Lett 16: 2900-4 (2006) Merck Research Laboratories 2D 3D TSV
16546385 81 1,3,5-Trisubstituted aryls as highly selective PPARdelta agonists.EBI Bioorg Med Chem Lett 16: 2969-73 (2006) The Genomics Institute of the Novartis Research Foundation 2D 3D TSV
16546384 10 Inhibition of trypsin and urokinase by Cbz-amino(4-guanidinophenyl)methanephosphonate aromatic ester derivatives: the influence of the ester group on their biological activity.EBI Bioorg Med Chem Lett 16: 2886-90 (2006) Wroc£?aw University of Technology 2D 3D TSV
16546383 25 Triketoacid inhibitors of HIV-integrase: a new chemotype useful for probing the integrase pharmacophore.EBI Bioorg Med Chem Lett 16: 2920-4 (2006) Bristol-Myers Squibb 2D 3D TSV
16546382 100 Keto-1,3,4-oxadiazoles as cathepsin K inhibitors.EBI Bioorg Med Chem Lett 16: 2909-14 (2006) Celera Genomics, Inc. 2D 3D TSV
16546381 25 Pentacyclic triterpenes. Part 3: Synthesis and biological evaluation of oleanolic acid derivatives as novel inhibitors of glycogen phosphorylase.EBI Bioorg Med Chem Lett 16: 2915-9 (2006) China Pharmaceutical University 2D 3D TSV
16546379 30 The identification of pyrimidine-diazabicyclo[3.3.0]octane derivatives as 5-HT2C receptor agonists.EBI Bioorg Med Chem Lett 16: 2891-4 (2006) Athersys, Inc. 2D 3D TSV
16545955 16 New 4-(4-methyl-phenyl)phthalazin-1(2H)-one derivatives and their effects on alpha1-receptors.EBI Bioorg Med Chem Lett 16: 2575-9 (2006) Università degli Studi di Perugia 2D 3D TSV
16545564 20 1,2,4-Oxadiazolidin-3,5-diones and 1,3,5-triazin-2,4,6-triones as cytosolic phospholipase A2alpha inhibitors.EBI Bioorg Med Chem Lett 16: 2978-81 (2006) Wyeth Research 2D 3D TSV
16545563 9 Inhibition of protein tyrosine phosphatase 1B by diterpenoids isolated from Acanthopanax koreanum.EBI Bioorg Med Chem Lett 16: 3061-4 (2006) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
16540318 28 Imidazolylpyrimidine based CXCR2 chemokine receptor antagonists.EBI Bioorg Med Chem Lett 16: 2724-8 (2006) Pharmacopeia Drug Discovery, Inc. 2D 3D TSV
16540315 23 Synthesis and evaluation of 4-substituted benzylamine derivatives as beta-tryptase inhibitors.EBI Bioorg Med Chem Lett 16: 2986-90 (2006) Mochida Pharmaceutical Co., Ltd 2D 3D TSV
16539403 78 Dihydropyrrolopyrazole transforming growth factor-beta type I receptor kinase domain inhibitors: a novel benzimidazole series with selectivity versus transforming growth factor-beta type II receptor kinase and mixed lineage kinase-7.EBI J Med Chem 49: 2138-42 (2006) Lilly Research Laboratory 2D 3D TSV
16539401 141 Carbonic anhydrase inhibitors: DNA cloning and inhibition studies of the alpha-carbonic anhydrase from Helicobacter pylori, a new target for developing sulfonamide and sulfamate gastric drugs.BDB J Med Chem 49: 2117-26 (2006) Kochi Medical School 2D 3D TSV
16539400 97 Dopamine/serotonin receptor ligands. 12(1): SAR studies on hexahydro-dibenz[d,g]azecines lead to 4-chloro-7-methyl-5,6,7,8,9,14-hexahydrodibenz[d,g]azecin-3-ol, the first picomolar D5-selective dopamine-receptor antagonist.EBI J Med Chem 49: 2110-6 (2006) Friedrich-Schiller-Universität Jena 2D 3D TSV
16539395 8 Synthesis and biological evaluation of purealin and analogues as cytoplasmic dynein heavy chain inhibitors.EBI J Med Chem 49: 2063-76 (2006) University of Pittsburgh 2D 3D TSV
16539392 29 Highly potent and orally active CCR5 antagonists as anti-HIV-1 agents: synthesis and biological activities of 1-benzazocine derivatives containing a sulfoxide moiety.EBI J Med Chem 49: 2037-48 (2006) Takeda Pharmaceutical Company Limited 2D 3D TSV
16539391 21 Branched diacylglycerol-lactones as potent protein kinase C ligands and alpha-secretase activators.EBI J Med Chem 49: 2028-36 (2006) Research Institute of Pharmaceutical Sciences 2D 3D TSV
16539390 14 Synthesis and SAR studies of 2-oxoquinoline derivatives as CB2 receptor inverse agonists.EBI J Med Chem 49: 2022-7 (2006) University of Kuopio 2D 3D TSV
16539389 7 Analogues of neurohypophyseal hormones, oxytocin and arginine vasopressin, conformationally restricted in the N-terminal part of the molecule.EBI J Med Chem 49: 2016-21 (2006) University of Gda£sk 2D 3D TSV
16539385 11 Diadenosine and diuridine poly(borano)phosphate analogues: synthesis, chemical and enzymatic stability, and activity at P2Y1 and P2Y2 receptors.EBI J Med Chem 49: 1980-90 (2006) Bar-Ilan University 2D 3D TSV
16539382 136 Development of cyclic gamma-MSH analogues with selective hMC3R agonist and hMC3R/hMC5R antagonist activities.EBI J Med Chem 49: 1946-52 (2006) University of Arizona 2D 3D TSV
16539381 20 Novel bifunctional quinolonyl diketo acid derivatives as HIV-1 integrase inhibitors: design, synthesis, biological activities, and mechanism of action.EBI J Med Chem 49: 1939-45 (2006) Università di Roma La Sapienza 2D 3D TSV
16539376 11 A systematic study of C-glucoside trisphosphates as myo-inositol trisphosphate receptor ligands. Synthesis of beta-C-glucoside trisphosphates based on the conformational restriction strategy.EBI J Med Chem 49: 1900-9 (2006) Hokkaido University 2D 3D TSV
16539374 16 Synthesis, pharmacological evaluation, and molecular modeling studies of novel peptidic CAAX analogues as farnesyl-protein-transferase inhibitors.BDB J Med Chem 49: 1882-90 (2006) Universita di Napoli Federico II 2D 3D TSV
16539372 8 Enantiomer discrimination illustrated by the high resolution crystal structures of type 4 phosphodiesterase.BDB J Med Chem 49: 1867-73 (2006) University of North Carolina at Chapel Hill 2D 3D TSV
16536518 11 Enthalpy versus entropy-driven binding of bisphosphonates to farnesyl diphosphate synthase.BDB J Am Chem Soc 128: 3524-5 (2006) University of Illinois at Urbana-Champaign 2D 3D TSV
16530804 4 3-Amidoquinuclidine derivatives: synthesis of compounds and inhibition of butyrylcholinesterase.BDB Bioorg Chem 34: 90-8 (2006) University of Zagreb 2D 3D TSV
16530413 15 Synthesis and biological evaluation of rhodanine derivatives as PRL-3 inhibitors.EBI Bioorg Med Chem Lett 16: 2996-9 (2006) Korea Research Institute of Chemical Technology 2D 3D TSV
16530412 13 High-throughput screening for Hsp90 ATPase inhibitors.EBI Bioorg Med Chem Lett 16: 3005-8 (2006) The University of Kansas 2D 3D TSV
16529931 139 SAR studies: designing potent and selective LXR agonists.EBI Bioorg Med Chem Lett 16: 3055-60 (2006) Merck Research Laboratories 2D 3D TSV
16529930 96 Identification of an indole series of prostaglandin D2 receptor antagonists.EBI Bioorg Med Chem Lett 16: 3043-8 (2006) Merck Frosst Canada & Co. 2D 3D TSV
16529929 55 5-Piperazinyl pyridine carboxamide bradykinin B1 antagonists.EBI Bioorg Med Chem Lett 16: 2791-5 (2006) Merck Research Laboratories 2D 3D TSV
16529928 72 Discovery of potent and orally active MTP inhibitors as potential anti-obesity agents.EBI Bioorg Med Chem Lett 16: 3039-42 (2006) Pfizer Inc. 2D 3D TSV
16527484 31 New HIV-1 reverse transcriptase inhibitors based on a tricyclic benzothiophene scaffold: synthesis, resolution, and inhibitory activity.EBI Bioorg Med Chem Lett 16: 3034-8 (2006) NIH 2D 3D TSV
16527483 20 Non-peptide calcitonin gene-related peptide receptor antagonists from a benzodiazepinone lead.EBI Bioorg Med Chem Lett 16: 2595-8 (2006) Department of Medicinal Chemistry Merck & Co. 2D 3D TSV
16527482 41 Synthesis and SAR of 1,9-dihydro-9-hydroxypyrazolo[3,4-b]quinolin-4-ones as novel, selective c-Jun N-terminal kinase inhibitors.BDB Bioorg Med Chem Lett 16: 2590-4 (2006) Abbott Laboratories 2D 3D TSV
16524731 77 Design and synthesis of 7H-pyrrolo[2,3-d]pyrimidines as focal adhesion kinase inhibitors. Part 2.EBI Bioorg Med Chem Lett 16: 2689-92 (2006) Genomics Institute of the Novartis Research Foundation (GNF) 2D 3D TSV
16524729 72 Identification and characterization of amino-piperidinequinolones and quinazolinones as MCHr1 antagonists.EBI Bioorg Med Chem Lett 16: 2621-7 (2006) Millennium Pharmaceuticals, Inc. 2D 3D TSV
16524727 25 Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine.EBI Bioorg Med Chem Lett 16: 3049-54 (2006) Daiichi Asubio Medical Research Laboratories, LLC 2D 3D TSV
16520733 8 Virtual and biomolecular screening converge on a selective agonist for GPR30.EBI Nat Chem Biol 2: 207-12 (2006) University of New Mexico Health Sciences Center 2D 3D TSV
16517596 2 A novel protein geranylgeranyltransferase-I inhibitor with high potency, selectivity, and cellular activity.BDB J Biol Chem 281: 12445-50 (2006) Duke University Medical Center 2D 3D TSV
16517161 20 Synthesis and SAR studies of diarylpyrrole anticoccidial agents.EBI Bioorg Med Chem Lett 16: 2817-21 (2006) Merck Research Laboratories 2D 3D TSV
16517159 45 Orally active thrombin inhibitors. Part 1: optimization of the P1-moiety.EBI Bioorg Med Chem Lett 16: 2641-7 (2006) Abbott GmbH& Co. KG 2D 3D TSV
16516473 444 Novel 4-anilinoquinazolines with C-6 carbon-linked side chains: synthesis and structure-activity relationship of a series of potent, orally active, EGF receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 16: 2672-6 (2006) Centre de Recherches 2D 3D TSV
16516472 22 Synthesis and in vitro evaluation of N-substituted aza-trozamicol analogs as vesicular acetylcholine transporter ligands.EBI Bioorg Med Chem Lett 16: 2654-7 (2006) Université François-Rabelais de Tours 2D 3D TSV
16516471 114 Nitrogen-bridged substituted 8-arylquinolines as potent PDE IV inhibitors.EBI Bioorg Med Chem Lett 16: 2608-12 (2006) Merck Frosst Center for Therapeutic Research 2D 3D TSV
16516469 39 A cassette-dosing approach for improvement of oral bioavailability of dual TACE/MMP inhibitors.EBI Bioorg Med Chem Lett 16: 2632-6 (2006) Novartis Institutes for BioMedical Research 2D 3D TSV
16516467 37 Aziridine-2,3-dicarboxylate inhibitors targeting the major cysteine protease of Trypanosoma brucei as lead trypanocidal agents.EBI Bioorg Med Chem Lett 16: 2753-7 (2006) University of Wuerzburg 2D 3D TSV
16516466 175 Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors.EBI Bioorg Med Chem Lett 16: 2699-704 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16513349 19 N-Benzylbenzamides: a new class of potent tyrosinase inhibitors.EBI Bioorg Med Chem Lett 16: 2682-4 (2006) Seoul National University 2D 3D TSV
16513345 45 Vasorelaxant activity of phthalazinones and related compounds.EBI Bioorg Med Chem Lett 16: 2786-90 (2006) Universidad de Salamanca 2D 3D TSV
16513343 3 (R)-sila-venlafaxine: a selective noradrenaline reuptake inhibitor for the treatment of emesis.EBI Bioorg Med Chem Lett 16: 2555-8 (2006) Paradigm Therapeutics Ltd 2D 3D TSV
16509598 22 Microwave-accelerated synthesis of P1'-extended HIV-1 protease inhibitors encompassing a tertiary alcohol in the transition-state mimicking scaffold.EBI J Med Chem 49: 1828-32 (2006) Uppsala University 2D 3D TSV
16509597 64 Stereochemical sensitivity of the human UDP-glucuronosyltransferases 2B7 and 2B17.EBI J Med Chem 49: 1818-27 (2006) University of Helsinki 2D 3D TSV
16509596 29 Incorporation of the unusual C(alpha)-fluoroalkylamino acids into cyclopeptides: synthesis of arginine-glycine-aspartate (RGD) analogues and study of their conformational and biological behavior.EBI J Med Chem 49: 1808-17 (2006) Istituto di Ricerche Chimiche e Biochimiche G. Ronzoni 2D 3D TSV
16509592 101 Design and synthesis of novel hydrazide-linked bifunctional peptides as delta/mu opioid receptor agonists and CCK-1/CCK-2 receptor antagonists.EBI J Med Chem 49: 1773-80 (2006) University of Arizona 2D 3D TSV
16509591 75 Design and synthesis of promiscuous high-affinity monoamine transporter ligands: unraveling transporter selectivity.EBI J Med Chem 49: 1766-72 (2006) NIDDK 2D 3D TSV
16509590 2 Lipolanthionine peptides act as inhibitors of TLR2-mediated IL-8 secretion. Synthesis and structure-activity relationships.EBI J Med Chem 49: 1754-65 (2006) University of T£bingen 2D 3D TSV
16509587 72 Synthesis and biological studies of a new series of 5-heteroarylcarbamoylaminopyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidines as human A3 adenosine receptor antagonists. Influence of the heteroaryl substituent on binding affinity and molecular modeling investigations.EBI J Med Chem 49: 1720-9 (2006) Universit£ degli Studi di Trieste 2D 3D TSV
16509585 71 2-(2-Thienyl)-5,6-dihydroxy-4-carboxypyrimidines as inhibitors of the hepatitis C virus NS5B polymerase: discovery, SAR, modeling, and mutagenesis.EBI J Med Chem 49: 1693-705 (2006) P. Angeletti S.p.A. (Merck Research Laboratories 2D 3D TSV
16509584 44 Dynamic pharmacophore model optimization: identification of novel HIV-1 integrase inhibitors.EBI J Med Chem 49: 1684-92 (2006) University of Houston 2D 3D TSV
16509583 114 Synthesis and structure-activity relationship studies of 1,3-diarylprop-2-yn-1-ones: dual inhibitors of cyclooxygenases and lipoxygenases.BDB J Med Chem 49: 1668-83 (2006) University of Alberta 2D 3D TSV
16509582 2 Discovery of protein phosphatase 2C inhibitors by virtual screening.EBI J Med Chem 49: 1658-67 (2006) The Rockefeller University 2D 3D TSV
16509578 79 Design, synthesis, and biological evaluation of isoquinoline-1,3,4-trione derivatives as potent caspase-3 inhibitors.BDB J Med Chem 49: 1613-23 (2006) Shanghai Institutes for Biological Sciences 2D 3D TSV
16509577 52 Structure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.BDB J Med Chem 49: 1597-612 (2006) GSK 2D 3D TSV
16509576 27 Discovery of a novel nonphosphorylated pentapeptide motif displaying high affinity for Grb2-SH2 domain by the utilization of 3'-substituted tyrosine derivatives.EBI J Med Chem 49: 1585-96 (2006) Graduate School of the Chinese Academy of Sciences 2D 3D TSV
16509575 43 Identification of novel parasitic cysteine protease inhibitors by use of virtual screening. 2. The available chemical directory.EBI J Med Chem 49: 1576-84 (2006) University of Mississippi 2D 3D TSV
16509574 42 Discovery of S-[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(2,3-dihydroxypropoxy)phenyl]methanone (RO3201195), an orally bioavailable and highly selective inhibitor of p38 MAP kinase.BDB J Med Chem 49: 1562-75 (2006) Roche Palo Alto LLC 2D 3D TSV
16509573 26 Pyrazolo[3,4-d]pyrimidines as potent antiproliferative and proapoptotic agents toward A431 and 8701-BC cells in culture via inhibition of c-Src phosphorylation.EBI J Med Chem 49: 1549-61 (2006) Università degli Studi di Siena 2D 3D TSV
16509570 56 Synthesis and structure-activity relationship of small-molecule malonyl coenzyme A decarboxylase inhibitors.EBI J Med Chem 49: 1517-25 (2006) Chugai Pharma USA, LLC. 2D 3D TSV
16509568 8 Novel HIV-1 integrase inhibitors derived from quinolone antibiotics.EBI J Med Chem 49: 1506-8 (2006) Central Pharmaceutical Research Institute 2D 3D TSV
16509566 1 Selective irreversible inhibition of fructose 1,6-bisphosphate aldolase from Trypanosoma brucei.EBI J Med Chem 49: 1499-502 (2006) Université Paul Sabatier 2D 3D TSV
16506782 10 Ultrahigh resolution crystal structures of human carbonic anhydrases I and II complexed with "two-prong" inhibitors reveal the molecular basis of high affinity.BDB J Am Chem Soc 128: 3011-8 (2006) University of Pennsylvania 2D 3D TSV
16504506 1 Synthesis of a potent 5'-methylthioadenosine/S-adenosylhomocysteine (MTAN) inhibitor.EBI Bioorg Med Chem Lett 16: 2662-5 (2006) BioCryst Pharmaceuticals Inc. 2D 3D TSV
16504505 3 Bradykinin antagonists modified with dipeptide mimetic beta-turn inducers.EBI Bioorg Med Chem Lett 16: 2387-90 (2006) University of Firenze and CNR-ICCOM 2D 3D TSV
16504504 22 Synthesis and biological evaluation of a novel structural type of serotonin 5-HT3 receptor antagonists.EBI Bioorg Med Chem Lett 16: 2769-72 (2006) Periyar College of Pharmaceutical Sciences for Girls 2D 3D TSV
16504503 7 Studies on the novel alpha-glucosidase inhibitory activity and structure-activity relationships for andrographolide analogues.EBI Bioorg Med Chem Lett 16: 2710-3 (2006) Zhengzhou University 2D 3D TSV
16504502 8 Synthesis of phospholipase A2 inhibitory biflavonoids.EBI Bioorg Med Chem Lett 16: 2373-5 (2006) Kangwon National University 2D 3D TSV
16504501 54 3-[6-(2-Dimethylamino-1-imidazol-1-yl-butyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid as a highly potent and selective retinoic acid metabolic blocking agent.EBI Bioorg Med Chem Lett 16: 2729-33 (2006) OSI Pharmaceuticals, Inc. 2D 3D TSV
16503142 6 Design of a potent, soluble glucokinase activator with excellent in vivo efficacy.EBI Bioorg Med Chem Lett 16: 2705-9 (2006) AstraZeneca R&D 2D 3D TSV
16503141 29 Tetrazole thioacetanilides: potent non-nucleoside inhibitors of WT HIV reverse transcriptase and its K103N mutant.EBI Bioorg Med Chem Lett 16: 2748-52 (2006) MRL Rome 2D 3D TSV
16503138 15 Discovery of novel biaryl heterocyclic EP1 receptor antagonists.EBI Bioorg Med Chem Lett 16: 2666-71 (2006) GlaxoSmithKline 2D 3D TSV
16500101 3 Novel substituted naphthalen-1-yl-methanone derivatives as anti-hyperglycemic agents.EBI Bioorg Med Chem Lett 16: 2719-23 (2006) Central Drug Research Institute 2D 3D TSV
16499324 2 Bioactive compounds from Peperomia pellucida.EBI J Nat Prod 69: 247-50 (2006) Chinese Academy of Sciences 2D 3D TSV
16497500 128 N-Alkyl-N-arylmethylpiperidin-4-amines: novel dual inhibitors of serotonin and norepinephrine reuptake.EBI Bioorg Med Chem Lett 16: 2714-8 (2006) Eli Lilly and Company 2D 3D TSV
16497499 36 Optimization of 2-aminothiazole derivatives as CCR4 antagonists.EBI Bioorg Med Chem Lett 16: 2800-3 (2006) Amgen Inc. 2D 3D TSV
16495061 8 Selection of a 2-azabicyclo[2.2.2]octane-based alpha4beta1 integrin antagonist as an inhaled anti-asthmatic agent.BDB Bioorg Med Chem 14: 4208-16 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16495056 23 Design and synthesis of selective, high-affinity inhibitors of human cytochrome P450 2J2.EBI Bioorg Med Chem Lett 16: 2777-80 (2006) Universite Paris 5 René Descartes 2D 3D TSV
16492761 51 An efficient rapid system for profiling the cellular activities of molecular libraries.BDB Proc Natl Acad Sci U S A 103: 3153-8 (2006) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
16492568 12 Differential binding of inhibitors to active and inactive CDK2 provides insights for drug design.BDB Chem Biol 13: 201-11 (2006) Cyclacel Ltd 2D 3D TSV
16492149 16 Structure-based optimization of MurF inhibitors.BDB Chem Biol Drug Des 67: 58-65 (2006) Abbott Laboratories 2D 3D TSV
16492148 12 Structural basis of Src tyrosine kinase inhibition with a new class of potent and selective trisubstituted purine-based compounds.BDB Chem Biol Drug Des 67: 46-57 (2006) ARIAD Pharmaceuticals 2D 3D TSV
16487705 107 N6-ethyl-2-alkynyl NECAs, selective human A3 adenosine receptor agonists.EBI Bioorg Med Chem Lett 16: 2416-8 (2006) University of Virginia 2D 3D TSV
16487703 4 Discovery of novel hydroxy pyrazole based factor IXa inhibitor.EBI Bioorg Med Chem Lett 16: 2796-9 (2006) Celera Genomics 2D 3D TSV
16483774 66 Identification of potent phenyl imidazoles as opioid receptor agonists.EBI Bioorg Med Chem Lett 16: 2505-8 (2006) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
16483773 24 Novel indole inhibitors of IMPDH from fragments: synthesis and initial structure-activity relationships.EBI Bioorg Med Chem Lett 16: 2539-42 (2006) UCB Celltech 2D 3D TSV
16483772 52 Alkynyl pyrimidines as dual EGFR/ErbB2 kinase inhibitors.EBI Bioorg Med Chem Lett 16: 2419-22 (2006) GlaxoSmithKline 2D 3D TSV
16483771 5 Isoquinoline derivatives as potential acetylcholinesterase inhibitors.EBI Bioorg Med Chem Lett 16: 2170-2 (2006) Naresuan University 2D 3D TSV
16483769 15 Low molecular weight indole fragments as IMPDH inhibitors.EBI Bioorg Med Chem Lett 16: 2535-8 (2006) UCB Celltech 2D 3D TSV
16481167 8 Design and synthesis of potent beta-secretase (BACE1) inhibitors with P1' carboxylic acid bioisosteres.EBI Bioorg Med Chem Lett 16: 2380-6 (2006) Kyoto Pharmaceutical University 2D 3D TSV
16481166 53 Discovery and SAR of 2-amino-5-[(thiomethyl)aryl]thiazoles as potent and selective Itk inhibitors.EBI Bioorg Med Chem Lett 16: 2411-5 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16481165 20 Structure-activity relationship of thiopyrimidines as mGluR5 antagonists.EBI Bioorg Med Chem Lett 16: 2467-9 (2006) NPS-Pharmaceuticals 2D 3D TSV
16481162 17 Fluorescent glycosidase inhibiting 1,5-dideoxy-1,5-iminoalditols.EBI Bioorg Med Chem Lett 16: 2067-70 (2006) Technische Universität Graz 2D 3D TSV
16480874 14 Ketopiperazine-based renin inhibitors: optimization of the "C" ring.BDB Bioorg Med Chem Lett 16: 2500-4 (2006) Pfizer 2D 3D TSV
16480871 12 Design and synthesis of novel HIV-1 protease inhibitors incorporating oxyindoles as the P2'-ligands.BDB Bioorg Med Chem Lett 16: 1869-73 (2006) Purdue University 2D 3D TSV
16480869 28 Design and synthesis of 2,3,4,9-tetrahydro-1H-carbazole and 1,2,3,4-tetrahydro-cyclopenta[b]indole derivatives as non-nucleoside inhibitors of hepatitis C virus NS5B RNA-dependent RNA polymerase.EBI Bioorg Med Chem Lett 16: 2532-4 (2006) Wyeth Research 2D 3D TSV
16480867 49 Dipeptide nitrile inhibitors of cathepsin K.BDB Bioorg Med Chem Lett 16: 2549-54 (2006) Novartis Pharmaceuticals 2D 3D TSV
16480864 38 4-Amino derivatives of the Hsp90 inhibitor CCT018159.EBI Bioorg Med Chem Lett 16: 2543-8 (2006) Vernalis Ltd 2D 3D TSV
16480284 126 Tyrosine kinase inhibitors. 19. 6-Alkynamides of 4-anilinoquinazolines and 4-anilinopyrido[3,4-d]pyrimidines as irreversible inhibitors of the erbB family of tyrosine kinase receptors.EBI J Med Chem 49: 1475-85 (2006) Pfizer Global Research and Development 2D 3D TSV
16480282 23 Hybrid antibacterials. DNA polymerase-topoisomerase inhibitors.EBI J Med Chem 49: 1455-65 (2006) GLSynthesis Inc. 2D 3D TSV
16480279 71 A new class of blockers of the voltage-gated potassium channel Kv1.3 via modification of the 4- or 7-position of khellinone.EBI J Med Chem 49: 1433-41 (2006) Institute of Medical Research Biotechnology Centre 2D 3D TSV
16480278 279 1-(4-Methylphenyl)-2-pyrrolidin-1-yl-pentan-1-one (Pyrovalerone) analogues: a promising class of monoamine uptake inhibitors.EBI J Med Chem 49: 1420-32 (2006) Organix Inc. 2D 3D TSV
16480277 18 Novel sulfonanilide analogues suppress aromatase expression and activity in breast cancer cells independent of COX-2 inhibition.EBI J Med Chem 49: 1413-9 (2006) The Ohio State University 2D 3D TSV
16480274 11 Potent 4-arylalkyl-substituted 3-isothiazolol GABA(A) competitive/noncompetitive antagonists: synthesis and pharmacology.EBI J Med Chem 49: 1388-96 (2006) The Danish University of Pharmaceutical Sciences 2D 3D TSV
16480273 12 Effectiveness of nonpeptide clinical inhibitor TMC-114 on HIV-1 protease with highly drug resistant mutations D30N, I50V, and L90M.BDB J Med Chem 49: 1379-87 (2006) Georgia State University 2D 3D TSV
16480270 40 Novel human lipoxygenase inhibitors discovered using virtual screening with homology models.EBI J Med Chem 49: 1356-63 (2006) University of California 2D 3D TSV
16480269 9 Application of Fragment Screening and Fragment Linking to the Discovery of Novel Thrombin Inhibitors.BDB J Med Chem 49: 1346-55 (2006) Astex 2D 3D TSV
16480268 15 Modification of estrone at the 6, 16, and 17 positions: novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1.EBI J Med Chem 49: 1325-45 (2006) University of Bath 2D 3D TSV
16480267 3 Vitamin D receptor: ligand recognition and allosteric network.EBI J Med Chem 49: 1313-24 (2006) Tokyo Medical and Dental University 2D 3D TSV
16480265 7 Crystal structures of Helicobacter pylori type II dehydroquinase inhibitor complexes: new directions for inhibitor design.EBI J Med Chem 49: 1282-90 (2006) University of Glasgow 2D 3D TSV
16480264 7 Design, synthesis, and biological evaluation of 3,4-diarylmaleimides as angiogenesis inhibitors.EBI J Med Chem 49: 1271-81 (2006) Johannes Gutenberg-University 2D 3D TSV
16480261 6 Dual binding mode of a novel series of DHODH inhibitors.BDB J Med Chem 49: 1239-47 (2006) 4SC AG 2D 3D TSV
16480260 26 Discovery of imidazo[1,2-b][1,2,4]triazines as GABA(A) alpha2/3 subtype selective agonists for the treatment of anxiety.EBI J Med Chem 49: 1235-8 (2006) TBA 2D 3D TSV
16480259 22 Cyclopropylamino acid amide as a pharmacophoric replacement for 2,3-diaminopyridine. Application to the design of novel bradykinin B1 receptor antagonists.EBI J Med Chem 49: 1231-4 (2006) TBA 2D 3D TSV
16480257 1 Inactivation of S-adenosyl-L-homocysteine hydrolase by 6'-cyano-5',6'-didehydro-6'-deoxyhomoadenosine and 6'-chloro-6'-cyano-5',6'-didehydro-6'-deoxyhomoadenosine. Antiviral and cytotoxic effects.EBI J Med Chem 49: 1223-6 (2006) TBA 2D 3D TSV
16476733 18 Inhibition of S/G2 phase CDK4 reduces mitotic fidelity.EBI J Biol Chem 281: 9987-95 (2006) University of Queensland 2D 3D TSV
16473009 23 Synthesis and evaluation of succinoyl-caprolactam gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 16: 2357-63 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16469866 21 Pharmacological and behavioral profile of N-(4-fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide (2R,3R)-dihydroxybutanedioate (2:1) (ACP-103), a novel 5-hydroxytryptamine(2A) receptor inverse agonist.BDB J Pharmacol Exp Ther 317: 910-8 (2006) ACADIA Pharmaceuticals Inc. 2D 3D TSV
16466916 30 Synthesis and biological activity of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 2: 2'-substituted triclosan derivatives.EBI Bioorg Med Chem Lett 16: 2163-9 (2006) Princ 2D 3D TSV
16466576 20 Uncharged isocoumarin-based inhibitors of urokinase-type plasminogen activator.BDB BMC Chem Biol 6: 1 (2006) University of New Mexico 2D 3D TSV
16464591 15 Synthesis and SAR studies of very potent imidazopyridine antiprotozoal agents.EBI Bioorg Med Chem Lett 16: 2479-83 (2006) Merck Research Laboratories 2D 3D TSV
16464588 41 Synthesis and SAR of heteroaryl-phenyl-substituted pyrazole derivatives as highly selective and potent canine COX-2 inhibitors.EBI Bioorg Med Chem Lett 16: 2076-80 (2006) Veterinary Medicine Research and Development Pfizer Inc. 2D 3D TSV
16464585 4 Structure-activity relationship study between Ornithyl-Proline and Lysyl-Proline based tripeptidomimics as angiotensin-converting enzyme inhibitors.EBI Bioorg Med Chem Lett 16: 2117-21 (2006) Institute of Genomics and Integrative Biology 2D 3D TSV
16464581 21 The synthesis of highly potent, selective, and water-soluble agonists at the human adenosine A3 receptor.EBI Bioorg Med Chem Lett 16: 2525-7 (2006) Pfizer Global Research and Development 2D 3D TSV
16464579 36 Substituted coumarins as potent 5-lipoxygenase inhibitors.EBI Bioorg Med Chem Lett 16: 2528-31 (2006) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
16464576 56 A new class of bradykinin 1 receptor antagonists containing the piperidine acetic acid tetralin core.EBI Bioorg Med Chem Lett 16: 2071-5 (2006) Amgen Inc. 2D 3D TSV
16464575 7 Synthesis of fluorescent derivatives of wortmannin and demethoxyviridin as probes for phosphatidylinositol 3-kinase.EBI Bioorg Med Chem Lett 16: 2518-21 (2006) State University of New York-ESF 2D 3D TSV
16460940 13 Biological evaluation of a multi-targeted small molecule inhibitor of tumor-induced angiogenesis.EBI Bioorg Med Chem Lett 16: 1950-3 (2006) Hoffmann-La Roche Inc. 2D 3D TSV
16460939 25 Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety.EBI Bioorg Med Chem Lett 16: 2648-53 (2006) Abbott GmbH& Co. KG 2D 3D TSV
16460937 6 Synthesis and evaluation of novel heterocyclic inhibitors of GSK-3.BDB Bioorg Med Chem Lett 16: 2091-4 (2006) GlaxoSmithKline 2D 3D TSV
16460936 82 Inhibitors of VEGF receptors-1 and -2 based on the 2-((pyridin-4-yl)ethyl)pyridine template.BDB Bioorg Med Chem Lett 16: 1913-9 (2006) Chemical Diversity, Inc 2D 3D TSV
16460935 39 A novel series of arylsulfonylthiophene-2-carboxamidine inhibitors of the complement component C1s.EBI Bioorg Med Chem Lett 16: 2200-4 (2006) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
16460933 19 Structure-guided identification of novel VEGFR-2 kinase inhibitors via solution phase parallel synthesis.EBI Bioorg Med Chem Lett 16: 2158-62 (2006) Cephalon, Inc. 2D 3D TSV
16460932 27 Discovery of novel heterocyclic factor VIIa inhibitors.BDB Bioorg Med Chem Lett 16: 2270-3 (2006) Celera 2D 3D TSV
16460930 10 Synthesis of novel benzofuran isoxazolines as protein tyrosine phosphatase 1B inhibitors.EBI Bioorg Med Chem Lett 16: 2139-43 (2006) Central Drug Research Institute 2D 3D TSV
16460798 2 Transport of glyburide by placental ABC transporters: implications in fetal drug exposure.EBI Placenta 27: 1096-102 (2006) Hospital for Sick Children 2D 3D TSV
16459077 105 Carbonic anhydrase inhibitors: cloning and sulfonamide inhibition studies of a carboxyterminal truncated alpha-carbonic anhydrase from Helicobacter pylori.EBI Bioorg Med Chem Lett 16: 2182-8 (2006) Kochi Medical School 2D 3D TSV
16458512 25 Specific inhibitors of Plasmodium falciparum thioredoxin reductase as potential antimalarial agents.EBI Bioorg Med Chem Lett 16: 2283-92 (2006) University of Michigan 2D 3D TSV
16458511 44 Inhibitors of human mitotic kinesin Eg5: characterization of the 4-phenyl-tetrahydroisoquinoline lead series.BDB Bioorg Med Chem Lett 16: 2095-100 (2006) Bristol-Myers Squibb Company 2D 3D TSV
16458510 59 The SAR of 4-substituted (6,6-bicyclic) piperidine cathepsin S inhibitors.EBI Bioorg Med Chem Lett 16: 2209-12 (2006) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
16458508 52 Identification and structure-activity relationships of a new series of Melanocortin-4 receptor antagonists.EBI Bioorg Med Chem Lett 16: 2302-5 (2006) Millennium Pharmaceuticals, Inc. 2D 3D TSV
16458507 2 Factor VIIa inhibitors: a prodrug strategy to improve oral bioavailability.EBI Bioorg Med Chem Lett 16: 2224-8 (2006) Celera Genomics 2D 3D TSV
16458505 2 Ultra-potent P1 modified arylsulfonamide HIV protease inhibitors: the discovery of GW0385.EBI Bioorg Med Chem Lett 16: 1788-94 (2006) GlaxoSmithKline 2D 3D TSV
16458504 37 Synthesis, in vitro and in vivo evaluation of [O-methyl-11C] 2-{4-[4-(3-methoxyphenyl)piperazin-1-yl]-butyl}-4-methyl-2H-[1,2,4]-triazine-3,5-dione: a novel agonist 5-HT1A receptor PET ligand.EBI Bioorg Med Chem Lett 16: 2101-4 (2006) Columbia University College of Physicians and Surgeons 2D 3D TSV
16458503 54 Design and synthesis of 7H-pyrrolo[2,3-d]pyrimidines as focal adhesion kinase inhibitors. Part 1.EBI Bioorg Med Chem Lett 16: 2173-6 (2006) Genomics Institute of the Novartis Research Foundation (GNF) 2D 3D TSV
16455256 30 Potent blockers of the monocarboxylate transporter MCT1: novel immunomodulatory compounds.BDB Bioorg Med Chem Lett 16: 2260-5 (2006) AstraZeneca 2D 3D TSV
16455253 13 An efficient, asymmetric solid-phase synthesis of benzothiadiazine-substituted tetramic acids: potent inhibitors of the hepatitis C virus RNA-dependent RNA polymerase.EBI Bioorg Med Chem Lett 16: 2205-8 (2006) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
16455252 72 Benzimidazole inhibitors of hepatitis C virus NS5B polymerase: identification of 2-[(4-diarylmethoxy)phenyl]-benzimidazole.EBI Bioorg Med Chem Lett 16: 1859-63 (2006) Central Pharmaceutical Research Institute 2D 3D TSV
16455251 11 Factor VIIa inhibitors: improved pharmacokinetic parameters.EBI Bioorg Med Chem Lett 16: 2243-6 (2006) Celera Genomics 2D 3D TSV
16455248 3 The geminal dimethyl analogue of Flurbiprofen as a novel Abeta42 inhibitor and potential Alzheimer's disease modifying agent.EBI Bioorg Med Chem Lett 16: 2219-23 (2006) Merck Research Laboratories 2D 3D TSV
16455247 15 Pyridone derivatives as potent and selective VLA-4 integrin antagonists.BDB Bioorg Med Chem Lett 16: 2256-9 (2006) GlaxoSmithKline 2D 3D TSV
16451087 41 Indol-1-yl acetic acids as peroxisome proliferator-activated receptor agonists: design, synthesis, structural biology, and molecular docking studies.EBI J Med Chem 49: 1212-6 (2006) National Health Research Institutes 2D 3D TSV
16451085 62 Design, synthesis, and biological activity of novel polycyclic aza-amide FKBP12 ligands.BDB J Med Chem 49: 1202-6 (2006) Pfizer 2D 3D TSV
16451081 132 Discovery and structure-activity relationship of antagonists of B-cell lymphoma 2 family proteins with chemopotentiation activity in vitro and in vivo.EBI J Med Chem 49: 1165-81 (2006) Abbott Laboratories 2D 3D TSV
16451079 15 A QSAR model for in silico screening of MAO-A inhibitors. Prediction, synthesis, and biological assay of novel coumarins.EBI J Med Chem 49: 1149-56 (2006) University of Santiago de Compostela 2D 3D TSV
16451077 86 Pyrrolizidine esters and amides as 5-HT4 receptor agonists and antagonists.EBI J Med Chem 49: 1125-39 (2006) Pfizer Inc. 2D 3D TSV
16451075 6 New cannabidiol derivatives: synthesis, binding to cannabinoid receptor, and evaluation of their antiinflammatory activity.EBI J Med Chem 49: 1113-7 (2006) Ben-Gurion University of the Negev 2D 3D TSV
16451074 76 Trace amine-associated receptor agonists: synthesis and evaluation of thyronamines and related analogues.EBI J Med Chem 49: 1101-12 (2006) University of California at San Francisco 2D 3D TSV
16451073 63 Synthesis and structure-activity relationships of 3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine analogues as potent, noncompetitive metabotropic glutamate receptor subtype 5 antagonists; search for cocaine medications.EBI J Med Chem 49: 1080-100 (2006) University of Illinois at Chicago 2D 3D TSV
16451072 44 Beta-substituted cyclohexanecarboxamide: a nonpeptidic framework for the design of potent inhibitors of cathepsin K.BDB J Med Chem 49: 1066-79 (2006) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
16451071 44 Dual inhibitors of thymidylate synthase and dihydrofolate reductase as antitumor agents: design, synthesis, and biological evaluation of classical and nonclassical pyrrolo[2,3-d]pyrimidine antifolates(1).BDB J Med Chem 49: 1055-65 (2006) Duquesne University 2D 3D TSV
16451069 55 SAR and mode of action of novel non-nucleoside inhibitors of hepatitis C NS5b RNA polymerase.EBI J Med Chem 49: 1034-46 (2006) Amgen Inc. 2D 3D TSV
16451067 16 Potent CYP19 (aromatase) 1-[(benzofuran-2-yl)(phenylmethyl)pyridine, -imidazole, and -triazole inhibitors: synthesis and biological evaluation.BDB J Med Chem 49: 1016-22 (2006) Cardiff University 2D 3D TSV
16451066 58 Design and synthesis of 5-aryl-pyridone-carboxamides as inhibitors of anaplastic lymphoma kinase.EBI J Med Chem 49: 1006-15 (2006) ChemBridge Research Laboratories and ChemBridge Corporation 2D 3D TSV
16451065 31 Novel potent hepatitis C virus NS3 serine protease inhibitors derived from proline-based macrocycles.BDB J Med Chem 49: 995-1005 (2006) Schering-Plough Research Institute 2D 3D TSV
16451063 139 3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones, potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase.EBI J Med Chem 49: 971-83 (2006) GlaxoSmithKline 2D 3D TSV
16451062 46 Discovery of novel and potent thiazoloquinazolines as selective Aurora A and B kinase inhibitors.EBI J Med Chem 49: 955-70 (2006) Centre de Recherches 2D 3D TSV
16451060 3 Evaluation of carbon-11-labeled 2beta-carbomethoxy-3beta-[4'-((Z)-2-iodoethenyl)phenyl]nortropane as a potential radioligand for imaging the serotonin transporter by PET.EBI J Med Chem 49: 942-6 (2006) Emory University 2D 3D TSV
16451058 16 Structural Insight into the Stereoselective Inhibition of MMP-8 by Enantiomeric Sulfonamide Phosphonates.BDB J Med Chem 49: 923-31 (2006) Istituto di Cristallografia 2D 3D TSV
16451057 140 Mapping the binding site of melanocortin 4 receptor agonists: a hydrophobic pocket formed by I3.28(125), I3.32(129), and I7.42(291) is critical for receptor activation.EBI J Med Chem 49: 911-22 (2006) Millennium Pharmaceuticals 2D 3D TSV
16451056 23 Structure-based design, synthesis, and biological evaluation of novel inhibitors of human cyclophilin A.EBI J Med Chem 49: 900-10 (2006) INSERM 2D 3D TSV
16451055 2 Amiodarone has intrinsic anti-Trypanosoma cruzi activity and acts synergistically with posaconazole.EBI J Med Chem 49: 892-9 (2006) Instituto Venezolano de Investigaciones Científicas 2D 3D TSV
16451053 37 Synthesis and activity of 1,3,5-triphenylimidazolidine-2,4-diones and 1,3,5-triphenyl-2-thioxoimidazolidin-4-ones: characterization of new CB1 cannabinoid receptor inverse agonists/antagonists.EBI J Med Chem 49: 872-82 (2006) Universit£ catholique de Louvain 2D 3D TSV
16451052 2 Synthesis of thieno[2,3-b]pyridinones acting as cytoprotectants and as inhibitors of [3H]glycine binding to the N-methyl-D-aspartate (NMDA) receptor.EBI J Med Chem 49: 864-71 (2006) Johann Wolfgang Goethe University 2D 3D TSV
16451051 5 Novel benzodiazepine photoaffinity probe stereoselectively labels a site deep within the membrane-spanning domain of the cholecystokinin receptor.EBI J Med Chem 49: 850-63 (2006) Mayo Clinic 2D 3D TSV
16451050 111 Identification of a novel spiropiperidine opioid receptor-like 1 antagonist class by a focused library approach featuring 3D-pharmacophore similarity.EBI J Med Chem 49: 847-9 (2006) Banyu Tsukuba Research Institute 2D 3D TSV
16451049 4 A selective estrogen receptor modulator for the treatment of hot flushes.EBI J Med Chem 49: 843-6 (2006) Lilly Research Laboratories 2D 3D TSV
16451048 7 Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1.BDB J Med Chem 49: 839-42 (2006) Sunesis 2D 3D TSV
16446092 41 Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.EBI Bioorg Med Chem Lett 16: 1807-10 (2006) Abbott Laboratories 2D 3D TSV
16446091 72 Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: heterocyclic P3.BDB Bioorg Med Chem Lett 16: 1975-80 (2006) GNF 2D 3D TSV
16446090 42 Synthesis and biological evaluation of 1-(2,4,5-trisubstituted phenyl)-3-(5-cyanopyrazin-2-yl)ureas as potent Chk1 kinase inhibitors.BDB Bioorg Med Chem Lett 16: 2293-8 (2006) Abbott Laboratories 2D 3D TSV
16446087 76 Design and structure-activity relationship of heterocyclic analogs of 4-amino-3-benzimidazol-2-ylhydroquinolin-2-ones as inhibitors of receptor tyrosine kinases.EBI Bioorg Med Chem Lett 16: 2247-51 (2006) Chiron Corporation 2D 3D TSV
16445284 6 Global effects of the energetics of coenzyme binding: NADPH controls the protein interaction properties of human cytochrome P450 reductase.BDB Biochemistry 45: 1421-34 (2006) University of Leicester 2D 3D TSV
16442794 95 Discovery of highly selective EP4 receptor agonists that stimulate new bone formation and restore bone mass in ovariectomized rats.EBI Bioorg Med Chem Lett 16: 1799-802 (2006) Pfizer Global Research and Development 2D 3D TSV
16442290 12 Novel non-benzimidazole chk2 kinase inhibitors.EBI Bioorg Med Chem Lett 16: 1924-8 (2006) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
16442288 30 Hydantoin derivatives as non-peptidic inhibitors of Ras farnesyl transferase.EBI Bioorg Med Chem Lett 16: 1954-6 (2006) Keimyung University 2D 3D TSV
16442284 99 Optimization of 2,4-diaminopyrimidines as GHS-R antagonists: side chain exploration.EBI Bioorg Med Chem Lett 16: 1864-8 (2006) Abbott Laboratories 2D 3D TSV
16441086 4 Isoflavonoids with antiestrogenic activity from Millettia pachycarpa.EBI J Nat Prod 69: 138-41 (2006) Meijo University 2D 3D TSV
16441078 4 Synthetic studies of neoclerodane diterpenes from Salvia divinorum: semisynthesis of salvinicins A and B and other chemical transformations of salvinorin A.EBI J Nat Prod 69: 107-12 (2006) The University of Iowa 2D 3D TSV
16441060 12 A common protein fold topology shared by flavonoid biosynthetic enzymes and therapeutic targets.EBI J Nat Prod 69: 14-7 (2006) Griffith University 2D 3D TSV
16439135 24 Chlamydocin analogs bearing carbonyl group as possible ligand toward zinc atom in histone deacetylases.BDB Bioorg Med Chem 14: 3438-46 (2006) Kyushu Institute of Technology 2D 3D TSV
16439127 48 Synthesis and SAR of highly potent and selective dopamine D3-receptor antagonists: variations on the 1H-pyrimidin-2-one theme.EBI Bioorg Med Chem Lett 16: 1934-7 (2006) Abbott GmbH & Co. KG 2D 3D TSV
16439126 9 Synthesis of alpha-substituted fosmidomycin analogues as highly potent Plasmodium falciparum growth inhibitors.EBI Bioorg Med Chem Lett 16: 1888-91 (2006) Ghent University 2D 3D TSV
16439124 8 Beta-diketo acids with purine nucleobase scaffolds: novel, selective inhibitors of the strand transfer step of HIV integrase.EBI Bioorg Med Chem Lett 16: 1920-3 (2006) University of Georgia 2D 3D TSV
16439123 25 Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.BDB Bioorg Med Chem Lett 16: 1775-9 (2006) Merck Research Laboratories 2D 3D TSV
16439122 16 Kinesin spindle protein (KSP) inhibitors. Part 3: synthesis and evaluation of phenolic 2,4-diaryl-2,5-dihydropyrroles with reduced hERG binding and employment of a phosphate prodrug strategy for aqueous solubility.EBI Bioorg Med Chem Lett 16: 1780-3 (2006) Merck Research Laboratories 2D 3D TSV
16439121 46 First dual M3 antagonists-PDE4 inhibitors: synthesis and SAR of 4,6-diaminopyrimidine derivatives.EBI Bioorg Med Chem Lett 16: 1834-9 (2006) UCB 2D 3D TSV
16439120 28 Arylmethoxypyridines as novel, potent and orally active mGlu5 receptor antagonists.EBI Bioorg Med Chem Lett 16: 1892-7 (2006) F. Hoffman-La Roche Ltd 2D 3D TSV
16436501 8 Pharmacological characterization and feeding-suppressive property of FMS586 [3-(5,6,7,8-tetrahydro-9-isopropyl-carbazol-3-yl)-1-methyl-1-(2-pyridin-4-yl-ethyl)-urea hydrochloride], a novel, selective, and orally active antagonist for neuropeptide Y Y5 receptor.BDB J Pharmacol Exp Ther 317: 562-70 (2006) Meiji Seika Kaisha, Ltd. 2D 3D TSV
16434618 3 Multidrug resistance protein 1 (MRP1, ABCC1) mediates resistance to mitoxantrone via glutathione-dependent drug efflux.EBI Mol Pharmacol 69: 1499-505 (2006) Wake Forest University School of Medicine 2D 3D TSV
16434195 23 Aminobenzisoxazoles with biaryl P4 moieties as potent, selective, and orally bioavailable factor Xa inhibitors.BDB Bioorg Med Chem Lett 16: 1795-8 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16434192 6 Fluorescent non-imidazole histamine H3 receptor ligands with nanomolar affinities.EBI Bioorg Med Chem Lett 16: 1938-40 (2006) Johann Wolfgang Goethe-Universität 2D 3D TSV
16434190 48 Synthesis of miltirone analogues as inhibitors of Cdc25 phosphatases.EBI Bioorg Med Chem Lett 16: 1905-8 (2006) Graduate School of Chinese Academy of Sciences 2D 3D TSV
16427279 3 Design and modular parallel synthesis of a MCR derived alpha-helix mimetic protein-protein interaction inhibitor scaffold.EBI Bioorg Med Chem Lett 16: 1740-3 (2006) ABC Pharma 2D 3D TSV
16426848 80 Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates.EBI Bioorg Med Chem Lett 16: 1605-9 (2006) Wyeth Research 2D 3D TSV
16420067 16 Orally active purine-based inhibitors of the heat shock protein 90.BDB J Med Chem 49: 817-28 (2006) Conforma Therapeutics Corporation 2D 3D TSV
16420066 14 Correlation of antifungal activity with fungal phospholipase inhibition using a series of bisquaternary ammonium salts.EBI J Med Chem 49: 811-6 (2006) The University of Sydney 2D 3D TSV
16420063 12 Synthesis and biological evaluation of novel phenylcarbazoles as potential anticancer agents.EBI J Med Chem 49: 789-99 (2006) Université d'Orléans 2D 3D TSV
16420061 161 Dopamine/serotonin receptor ligands. 10: SAR Studies on azecine-type dopamine receptor ligands by functional screening at human cloned D1, D2L, and D5 receptors with a microplate reader based calcium assay lead to a novel potent D1/D5 selective antagonist.EBI J Med Chem 49: 760-9 (2006) University of Bonn 2D 3D TSV
16420060 12 Novel 5alpha-reductase inhibitors: synthesis, structure-activity studies, and pharmacokinetic profile of phenoxybenzoylphenyl acetic acids.EBI J Med Chem 49: 748-59 (2006) Saarland University 2D 3D TSV
16420057 33 (+)-(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl-N-[6-(trifluoromethyl)pyridin-3- yl]piperazine-1-carboxamide (YM580) as an orally potent and peripherally selective nonsteroidal androgen receptor antagonist.BDB J Med Chem 49: 716-26 (2006) Astellas Pharma Inc. 2D 3D TSV
16420054 24 Structure-activity study of brassinin derivatives as indoleamine 2,3-dioxygenase inhibitors.BDB J Med Chem 49: 684-92 (2006) Bryn Mawr College 2D 3D TSV
16420053 4 Discovery of two novel, small-molecule inhibitors of DNA methylation.EBI J Med Chem 49: 678-83 (2006) Polish Academy of Sciences 2D 3D TSV
16420052 56 The first potent inhibitors for human glutaminyl cyclase: synthesis and structure-activity relationship.BDB J Med Chem 49: 664-77 (2006) Probiodrug AG 2D 3D TSV
16420049 355 Overlapping, nonidentical binding sites of different classes of nonpeptide antagonists for the human gonadotropin-releasing hormone receptor.EBI J Med Chem 49: 637-47 (2006) Neurocrine Biosciences, Inc. 2D 3D TSV
16420047 17 Identification of the key residue of calcitonin gene related peptide (CGRP) 27-37 to obtain antagonists with picomolar affinity at the CGRP receptor.EBI J Med Chem 49: 616-24 (2006) University of Leipzig 2D 3D TSV
16420044 12 Trisubstituted acridines as G-quadruplex telomere targeting agents. Effects of extensions of the 3,6- and 9-side chains on quadruplex binding, telomerase activity, and cell proliferation.EBI J Med Chem 49: 582-99 (2006) University of London 2D 3D TSV
16420042 9 Potent 7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid-based macrocyclic inhibitors of hepatitis C virus NS3 protease.BDB J Med Chem 49: 567-74 (2006) Schering-Plough Research Institute 2D 3D TSV
16420039 5 Classification of chemical compounds by protein-compound docking for use in designing a focused library.EBI J Med Chem 49: 523-33 (2006) National Institute of Advanced Industrial Science and Technology (AIST) 2D 3D TSV
16420038 41 Metal-mediated inhibition of Escherichia coli methionine aminopeptidase: structure-activity relationships and development of a novel scoring function for metal-ligand interactions.EBI J Med Chem 49: 511-22 (2006) Saarland University 2D 3D TSV
16420037 23 Computational study of antagonist/alpha1A adrenoceptor complexes--observations of conformational variations on the formation of ligand/receptor complexes.BDB J Med Chem 49: 501-10 (2006) University of Dublin 2D 3D TSV
16420034 28 Identification and biological characterization of 6-aryl-7-isopropylquinazolinones as novel TRPV1 antagonists that are effective in models of chronic pain.EBI J Med Chem 49: 471-4 (2006) Novartis Institutes for Biomedical Research 2D 3D TSV
16420031 46 Novel tacrine-melatonin hybrids as dual-acting drugs for Alzheimer disease, with improved acetylcholinesterase inhibitory and antioxidant properties.BDB J Med Chem 49: 459-62 (2006) Instituto de Quimica Medica (CSIC) 2D 3D TSV
16420030 38 Selective inhibition of matrix metalloproteinase isozymes and in vivo protection against emphysema by substituted gamma-keto carboxylic acids.EBI J Med Chem 49: 456-8 (2006) Chinese Academy of Sciences 2D 3D TSV
16420027 8 HIV integrase inhibitors with nucleobase scaffolds: discovery of a highly potent anti-HIV agent.EBI J Med Chem 49: 445-7 (2006) University of Georgia 2D 3D TSV
16420026 19 Potent and selective mitogen-activated protein kinase kinase (MEK) 1,2 inhibitors. 1. 4-(4-bromo-2-fluorophenylamino)-1- methylpyridin-2(1H)-ones.EBI J Med Chem 49: 441-4 (2006) Array BioPharma 2D 3D TSV
16415863 2 Allosteric inhibitors of Bcr-abl-dependent cell proliferation.EBI Nat Chem Biol 2: 95-102 (2006) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
16415861 1 Microarray-based method for monitoring yeast overexpression strains reveals small-molecule targets in TOR pathway.EBI Nat Chem Biol 2: 103-9 (2006) Harvard University 2D 3D TSV
16413783 50 Factor VIIa inhibitors: gaining selectivity within the trypsin family.BDB Bioorg Med Chem Lett 16: 1596-600 (2006) Celera 2D 3D TSV
16413782 20 1-Phenyl-8-azabicyclo[3.2.1]octane ethers: a novel series of neurokinin (NK1) antagonists.EBI Bioorg Med Chem Lett 16: 2008-12 (2006) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
16413781 13 Investigation of mechanism-based thrombin inhibitors: Implications of a highly conserved water molecule for the binding of coumarins within the S pocket.EBI Bioorg Med Chem Lett 16: 2017-21 (2006) University of Namur 2D 3D TSV
16413780 64 Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer.BDB Bioorg Med Chem Lett 16: 2000-7 (2006) Abbott Laboratories 2D 3D TSV
16413778 12 Discovery of novel and selective tertiary alcohol containing inhibitors of the norepinephrine transporter.EBI Bioorg Med Chem Lett 16: 2022-5 (2006) Eli Lilly and Company 2D 3D TSV
16413777 112 Identification of a potent and selective non-basic cathepsin K inhibitor.BDB Bioorg Med Chem Lett 16: 1985-9 (2006) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
16413185 1 In silico identification of novel EGFR inhibitors with antiproliferative activity against cancer cells.EBI Bioorg Med Chem Lett 16: 1969-74 (2006) Molsoft LLC 2D 3D TSV
16413183 16 Small molecule inhibitors of plasma kallikrein.EBI Bioorg Med Chem Lett 16: 2034-6 (2006) Celera Genomics 2D 3D TSV
16413182 18 Novel inhibitors of hepatitis C NS3-NS4A serine protease derived from 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid.BDB Bioorg Med Chem Lett 16: 1628-32 (2006) Schering-Plough Research Institute 2D 3D TSV
16412638 126 6H-Benzo[c]chromen-6-one derivatives as selective ERbeta agonists.EBI Bioorg Med Chem Lett 16: 1468-72 (2006) Merck Research Laboratories 2D 3D TSV
16412637 8 Synthesis and analgesic activity of secondary amine analogues of pyridylmethylamine and positional isomeric analogues of ABT-594.EBI Bioorg Med Chem Lett 16: 2013-6 (2006) Peking University 2D 3D TSV
16412636 62 Tricyclic azepine derivatives: pyrimido[4,5-b]-1,4-benzoxazepines as a novel class of epidermal growth factor receptor kinase inhibitors.EBI Bioorg Med Chem Lett 16: 1643-6 (2006) ImClone Systems 2D 3D TSV
16412635 4 A novel series of urea-based peptidomimetic calpain inhibitors.EBI Bioorg Med Chem Lett 16: 1965-8 (2006) The University of Tennessee Health Science Center 2D 3D TSV
16412634 90 Arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 2: Optimization of P1 and N-aryl.BDB Bioorg Med Chem Lett 16: 1486-90 (2006) GNF 2D 3D TSV
16412633 9 Factor VIIa inhibitors: chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model.EBI Bioorg Med Chem Lett 16: 2037-41 (2006) Celera Genomics 2D 3D TSV
16412632 17 BACE-1 inhibitory activities of new substituted phenyl-piperazine coupled to various heterocycles: chromene, coumarin and quinoline.EBI Bioorg Med Chem Lett 16: 1995-9 (2006) INSERM 2D 3D TSV
16408091 2 Secramine inhibits Cdc42-dependent functions in cells and Cdc42 activation in vitro.EBI Nat Chem Biol 2: 39-46 (2006) Harvard Medical School 2D 3D TSV
16408088 2 Purmorphamine activates the Hedgehog pathway by targeting Smoothened.EBI Nat Chem Biol 2: 29-30 (2006) Stanford University School of Medicine 2D 3D TSV
16408072 2 Host sphingolipid biosynthesis as a target for hepatitis C virus therapy.EBI Nat Chem Biol 1: 333-7 (2006) Chugai Pharmaceutical Co. Ltd. 2D 3D TSV
16408016 6 Assignment of protein function in the postgenomic era.EBI Nat Chem Biol 1: 130-42 (2006) The Scripps Research Institute 2D 3D TSV
16408006 3 Linking agonist binding to histamine H1 receptor activation.EBI Nat Chem Biol 1: 98-103 (2006) Vrije Universiteit Amsterdam 2D 3D TSV
16408003 7 Diversity-oriented synthesis: exploring the intersections between chemistry and biology.EBI Nat Chem Biol 1: 74-84 (2006) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
16407991 13 Activity-based probes that target diverse cysteine protease families.BDB Nat Chem Biol 1: 33-8 (2005) Stanford University 2D 3D TSV
16407990 1 Small-molecule inhibition of siderophore biosynthesis in Mycobacterium tuberculosis and Yersinia pestis.EBI Nat Chem Biol 1: 29-32 (2006) Weill Medical College of Cornell University 2D 3D TSV
16407290 14 Conformation-assisted inhibition of protein-tyrosine phosphatase-1B elicits inhibitor selectivity over T-cell protein-tyrosine phosphatase.BDB J Biol Chem 281: 8010-5 (2006) Merck Frosst Center for Therapeutic Research 2D 3D TSV
16407274 21 Effector-repressor interactions, binding of a single effector molecule to the operator-bound TtgR homodimer mediates derepression.BDB J Biol Chem 281: 7102-9 (2006) Estacion Experimental del Zaidin 2D 3D TSV
16406782 9 Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase.BDB Bioorg Med Chem Lett 16: 1610-5 (2006) Cornell University 2D 3D TSV
16406613 40 Imidazo[1,2-a]pyrimidines as functionally selective GABA(A) ligands.EBI Bioorg Med Chem Lett 16: 1175-9 (2006) Merck Sharp and Dohme Research Laboratories 2D 3D TSV
16403626 55 Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation.BDB Bioorg Med Chem Lett 16: 1679-85 (2006) Abbott Laboratories 2D 3D TSV
16392827 56 Substituted 2-thioxoimidazolidin-4-ones and imidazolidine-2,4-diones as fatty acid amide hydrolase inhibitors templates.EBI J Med Chem 49: 417-25 (2006) Universit£ catholique de Louvain 2D 3D TSV
16392826 68 Novel inhibitors of B-RAF based on a disubstituted pyrazine scaffold. Generation of a nanomolar lead.EBI J Med Chem 49: 407-16 (2006) Institute of Cancer Research 2D 3D TSV
16392823 39 Identification of potent water soluble purine-scaffold inhibitors of the heat shock protein 90.EBI J Med Chem 49: 381-90 (2006) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
16392822 87 2-[3-[2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethylamino]-3-methyl-1-oxobutyl]-1,2,3,4-tetrahydroisoquinoline: a potent, selective, and orally bioavailable dipeptide-derived inhibitor of dipeptidyl peptidase IV.BDB J Med Chem 49: 373-80 (2006) National Health Research Institutes 2D 3D TSV
16392821 2 Design, synthesis, and action of oxotremorine-related hybrid-type allosteric modulators of muscarinic acetylcholine receptors.EBI J Med Chem 49: 366-72 (2006) Universit£ degli Studi di Milano 2D 3D TSV
16392820 52 Design, synthesis, and binding affinities of potential positron emission tomography (PET) ligands for visualization of brain dopamine D3 receptors.EBI J Med Chem 49: 358-65 (2006) Università degli Studi di Bari 2D 3D TSV
16392817 3 Discovery of benzylidenebenzofuran-3(2H)-one (aurones) as inhibitors of tyrosinase derived from human melanocytes.EBI J Med Chem 49: 329-33 (2006) UMR-CNRS 5063 2D 3D TSV
16392816 113 1-((S)-2-aminopropyl)-1H-indazol-6-ol: a potent peripherally acting 5-HT2 receptor agonist with ocular hypotensive activity.EBI J Med Chem 49: 318-28 (2006) Alcon Research, Ltd. 2D 3D TSV
16392813 329 Design, synthesis, and structure-activity relationships of 1-,3-,8-, and 9-substituted-9-deazaxanthines at the human A2B adenosine receptor.EBI J Med Chem 49: 282-99 (2006) Universit£ di Bari 2D 3D TSV
16392812 75 Structure-activity relationships of 2-chloro-N6-substituted-4'-thioadenosine-5'-uronamides as highly potent and selective agonists at the human A3 adenosine receptor.EBI J Med Chem 49: 273-81 (2006) Ewha Womans University 2D 3D TSV
16392810 100 Synthesis and preliminary in vitro investigation of bivalent ligands containing homo- and heterodimeric pharmacophores at mu, delta, and kappa opioid receptors.EBI J Med Chem 49: 256-62 (2006) Harvard Medical School 2D 3D TSV
16392806 52 Inhibition of Trypanosoma cruzi hexokinase by bisphosphonates.EBI J Med Chem 49: 215-23 (2006) University of Illinois at Urbana-Champaign 2D 3D TSV
16392801 8 Rational design and enantioselective synthesis of (1R,4S,5R,6S)-3-azabicyclo[3.3.0]octane-4,6-dicarboxylic acid - a novel inhibitor at human glutamate transporter subtypes 1, 2, and 3.EBI J Med Chem 49: 172-8 (2006) The Danish University of Pharmaceutical Sciences 2D 3D TSV
16392800 209 Structure-activity relationships at the 5-position of thiolactomycin: an intact (5R)-isoprene unit is required for activity against the condensing enzymes from Mycobacterium tuberculosis and Escherichia coli.EBI J Med Chem 49: 159-71 (2006) National Institute of Allergy and Infectious Diseases 2D 3D TSV
16392799 46 Inhibition of cytosolic phospholipase A2alpha: hit to lead optimization.EBI J Med Chem 49: 135-58 (2006) Wyeth Research 2D 3D TSV
16392798 46 Synthesis and in vivo validation of [O-methyl-11C]2-{4-[4-(7-methoxynaphthalen-1-yl)piperazin- 1-yl]butyl}-4-methyl-2H-[1,2,4]triazine-3,5-dione: a novel 5-HT1A receptor agonist positron emission tomography ligand.EBI J Med Chem 49: 125-34 (2006) Columbia University College of Physicians and Surgeons 2D 3D TSV
16392794 13 Discovery of nonpeptidic small-molecule AP-1 inhibitors: lead hopping based on a three-dimensional pharmacophore model.EBI J Med Chem 49: 80-91 (2006) Toyama Chemical Co., Ltd. 2D 3D TSV
16392793 42 Novel 4-oxo-1,4-dihydroquinoline-3-carboxamide derivatives as new CB2 cannabinoid receptors agonists: synthesis, pharmacological properties and molecular modeling.EBI J Med Chem 49: 70-9 (2006) Universit£ de Lille 2 2D 3D TSV
16392792 29 Matrix metalloproteinase target family landscape: a chemometrical approach to ligand selectivity based on protein binding site analysis.EBI J Med Chem 49: 51-69 (2006) Aventis Pharma Deutschland GmbH 2D 3D TSV
16392790 12 Isothiazolopyridones: synthesis, structure, and biological activity of a new class of antibacterial agents.EBI J Med Chem 49: 39-42 (2006) Achillion Pharmaceuticals, Inc. 2D 3D TSV
16392789 66 Imidazo[1,2-a]pyrimidines as functionally selective and orally bioavailable GABA(A)alpha2/alpha3 binding site agonists for the treatment of anxiety disorders.EBI J Med Chem 49: 35-8 (2006) Merck Sharp Laboratory 2D 3D TSV
16392787 16 Anthrax lethal factor protease inhibitors: synthesis, SAR, and structure-based 3D QSAR studies.BDB J Med Chem 49: 27-30 (2006) Burnham Institute 2D 3D TSV
16387495 8 Depeptidization efforts on P3-P2' alpha-ketoamide inhibitors of HCV NS3-4A serine protease: effect on HCV replicon activity.BDB Bioorg Med Chem Lett 16: 1621-7 (2006) Schering-Plough Research Institute 2D 3D TSV
16387492 26 Structural modifications of the cannabinoid side chain towards C3-aryl and 1',1'-cycloalkyl-1'-cyano cannabinoids.EBI Bioorg Med Chem Lett 16: 1616-20 (2006) National Hellenic Research Foundation 2D 3D TSV
16386905 35 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors.BDB Bioorg Med Chem Lett 16: 1574-8 (2006) Procter & Gamble Pharmaceuticals 2D 3D TSV
16386902 87 Identification of a novel series of tetrahydrodibenzazocines as inhibitors of 17beta-hydroxysteroid dehydrogenase type 3.EBI Bioorg Med Chem Lett 16: 1532-6 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16386901 6 8-Fluoroimidazo[1,2-a]pyridine: synthesis, physicochemical properties and evaluation as a bioisosteric replacement for imidazo[1,2-a]pyrimidine in an allosteric modulator ligand of the GABA A receptor.EBI Bioorg Med Chem Lett 16: 1518-22 (2006) Merck Sharp and Dohme 2D 3D TSV
16386900 50 Imidazo[1,2-b][1,2,4]triazines as alpha2/alpha3 subtype selective GABA A agonists for the treatment of anxiety.EBI Bioorg Med Chem Lett 16: 1477-80 (2006) Merck Sharp and Dohme Research Laboratories 2D 3D TSV
16386899 13 Guanidinylated 2,5-dideoxystreptamine derivatives as anthrax lethal factor inhibitors.BDB Bioorg Med Chem Lett 16: 1527-31 (2006) Hawaii Biotech Inc. 2D 3D TSV
16386422 40 Discovery and SAR study of novel dihydroquinoline containing glucocorticoid receptor ligands.BDB Bioorg Med Chem Lett 16: 1549-52 (2006) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
16386419 13 Synthesis and insecticidal activity of fluorinated 2-(2,6-dichloro-4-trifluoromethylphenyl)-2,4,5,6-tetrahydrocyclopentapyrazoles.EBI Bioorg Med Chem Lett 16: 1702-6 (2006) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
16386418 15 Arylphthalazines. Part 2: 1-(Isoquinolin-5-yl)-4-arylamino phthalazines as potent inhibitors of VEGF receptors I and II.EBI Bioorg Med Chem Lett 16: 1579-81 (2006) ImClone Systems 2D 3D TSV
16386417 27 Discovery and optimization of a novel series of liver X receptor-alpha agonists.EBI Bioorg Med Chem Lett 16: 1638-42 (2006) Amgen Inc. 2D 3D TSV
16384707 27 Imidazo[1,2-a]pyrazin-8-ones, imidazo[1,2-d][1,2,4]triazin-8-ones and imidazo[2,1-f][1,2,4]triazin-8-ones as alpha2/alpha3 subtype selective GABA A agonists for the treatment of anxiety.EBI Bioorg Med Chem Lett 16: 1582-5 (2006) Merck, Sharp and Dohme Research Laboratories 2D 3D TSV
16384704 86 Design and synthesis of potent and subtype-selective PPARalpha agonists.EBI Bioorg Med Chem Lett 16: 1673-8 (2006) Merck Research Laboratories 2D 3D TSV
16384702 35 CDK2/cyclinA inhibitors: targeting the cyclinA recruitment site with small molecules derived from peptide leads.EBI Bioorg Med Chem Lett 16: 1716-20 (2006) Genentech Inc. 2D 3D TSV
16384700 24 Novel lactam NK1 antagonists with anti-emetic activity.EBI Bioorg Med Chem Lett 16: 1197-201 (2006) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
16384552 4 Interaction of ivermectin with multidrug resistance proteins (MRP1, 2 and 3).EBI Chem Biol Interact 159: 169-79 (2006) Laboratoire de Pharmacologie-Toxicologie INRA 2D 3D TSV
16380259 11 Inhibitors of epidermal growth factor receptor tyrosine kinase: Novel C-5 substituted anilinoquinazolines designed to target the ribose pocket.EBI Bioorg Med Chem Lett 16: 1633-7 (2006) AstraZeneca 2D 3D TSV
16380258 17 Novel dual inhibitors of calpain and lipid peroxidation with enhanced cellular activity.EBI Bioorg Med Chem Lett 16: 1586-9 (2006) Institut Henri Beaufour 2D 3D TSV
16380257 51 Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels.EBI Bioorg Med Chem Lett 16: 1138-41 (2006) Abbott Laboratories 2D 3D TSV
16380256 35 Indole-glucosides as novel sodium glucose co-transporter 2 (SGLT2) inhibitors. Part 2.EBI Bioorg Med Chem Lett 16: 1696-701 (2006) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
16380255 42 Phenyl ureas of creatinine as mGluR5 antagonists. A structure-activity relationship study of fenobam analogues.EBI Bioorg Med Chem Lett 16: 1142-5 (2006) AstraZeneca R&D 2D 3D TSV
16380254 9 Synthesis and biological evaluation of 5-[(aryl)(1H-imidazol-1-yl)methyl]-1H-indoles: potent and selective aromatase inhibitors.EBI Bioorg Med Chem Lett 16: 1134-7 (2006) Nantes University 2D 3D TSV
16380252 68 5-Heteroatom-substituted pyrazoles as canine COX-2 inhibitors: Part 2. Structure-activity relationship studies of 5-alkylethers and 5-thioethers.EBI Bioorg Med Chem Lett 16: 1202-6 (2006) Pfizer Inc. 2D 3D TSV
16380251 31 Discovery and synthesis of a novel series of quinoline-based thrombin receptor (PAR-1) antagonists.EBI Bioorg Med Chem Lett 16: 1544-8 (2006) Schering-Plough Research Institute 2D 3D TSV
16380250 31 4-Aminophenoxyacetic acids as a novel class of reversible cathepsin K inhibitors.EBI Bioorg Med Chem Lett 16: 1502-5 (2006) Sankyo Co., Ltd 2D 3D TSV
16378379 3 Nostocarboline: isolation and synthesis of a new cholinesterase inhibitor from Nostoc 78-12A.EBI J Nat Prod 68: 1793-5 (2005) University of Zürich 2D 3D TSV
16377201 24 Synthesis, biological evaluation, and pharmacokinetic study of prolyl-1-piperazinylacetic acid and prolyl-4-piperidinylacetic acid derivatives as VLA-4 antagonists.BDB Bioorg Med Chem 14: 2725-46 (2006) Daiichi Pharmaceutical 2D 3D TSV
16377188 12 Novel endotoxin-sequestering compounds with terephthalaldehyde-bis-guanylhydrazone scaffolds.EBI Bioorg Med Chem Lett 16: 1305-8 (2006) University of Kansas 2D 3D TSV
16376544 10 The reversed binding of beta-phenethylamine inhibitors of DPP-IV: X-ray structures and properties of novel fragment and elaborated inhibitors.BDB Bioorg Med Chem Lett 16: 1744-8 (2006) Santhera Pharmaceuticals 2D 3D TSV
16376079 6 Asymmetric synthesis of the L-fuco-nojirimycin, a nanomolar alpha-L-fucosidase inhibitor.EBI Bioorg Med Chem Lett 16: 1172-4 (2006) Université de Haute-Alsace 2D 3D TSV
16376078 10 New benzimidazoles as thrombopoietin receptor agonists.EBI Bioorg Med Chem Lett 16: 1212-6 (2006) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
16376077 23 Seco-prolinenitrile inhibitors of dipeptidyl peptidase IV define minimal pharmacophore requirements at P1.BDB Bioorg Med Chem Lett 16: 1731-4 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16376076 40 Synthesis of Tic-D-Phe Psi[CH2-CH2] isostere and its use in the development of melanocortin receptor agonists.EBI Bioorg Med Chem Lett 16: 1721-5 (2006) Procter & Gamble Pharmaceuticals 2D 3D TSV
16376075 28 Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors.EBI Bioorg Med Chem Lett 16: 1735-9 (2006) GlaxoSmithKline 2D 3D TSV
16372404 1 Actin is the primary cellular receptor of bistramide A.EBI Nat Chem Biol 1: 383-8 (2005) University of Chicago 2D 3D TSV
16370373 3 C3-symmetric peptide scaffolds are functional mimetics of trimeric CD40L.EBI Nat Chem Biol 1: 377-82 (2005) Institut de Biologie Moléculaire et Cellulaire 2D 3D TSV
16370372 21 Monocarboxylate transporter MCT1 is a target for immunosuppression.EBI Nat Chem Biol 1: 371-6 (2005) AstraZeneca R&D Charnwood 2D 3D TSV
16368234 26 Potent 2-[(pyrimidin-4-yl)amine}-1,3-thiazole-5-carbonitrile-based inhibitors of VEGFR-2 (KDR) kinase.EBI Bioorg Med Chem Lett 16: 1146-50 (2006) Merck Research Laboratories 2D 3D TSV
16366610 41 Preparation and biological evaluation of indole, benzimidazole, and thienopyrrole piperazine carboxamides: potent human histamine h(4) antagonists.EBI J Med Chem 48: 8289-98 (2005) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
16366609 77 Synthesis of tricyclic 1,3-oxazin-4-ones and kinetic analysis of cholesterol esterase and acetylcholinesterase inhibition.EBI J Med Chem 48: 8270-88 (2005) University of Bonn 2D 3D TSV
16366607 81 2-(Benzimidazol-2-yl)quinoxalines: a novel class of selective antagonists at human A(1) and A(3) adenosine receptors designed by 3D database searching.EBI J Med Chem 48: 8253-60 (2005) Universit£ di Napoli"Federico II" 2D 3D TSV
16366605 62 Methyl substitution on the piperidine ring of N-[omega-(6-methoxynaphthalen-1-yl)alkyl] derivatives as a probe for selective binding and activity at the sigma(1) receptor.EBI J Med Chem 48: 8237-44 (2005) Universit£ di Bari 2D 3D TSV
16366604 16 Synthesis, biological activity, and preliminary pharmacokinetic evaluation of analogues of a phosphosulfomannan angiogenesis inhibitor (PI-88).EBI J Med Chem 48: 8229-36 (2005) Progen Industries Limited 2D 3D TSV
16366601 82 Novel indole-based peroxisome proliferator-activated receptor agonists: design, SAR, structural biology, and biological activities.EBI J Med Chem 48: 8194-208 (2005) National Health Research Institutes 2D 3D TSV
16366598 51 (6,7-Dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamines: platelet-derived growth factor receptor tyrosine kinase inhibitors with broad antiproliferative activity against tumor cells.EBI J Med Chem 48: 8163-73 (2005) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
16366596 18 Binding of rasagiline-related inhibitors to human monoamine oxidases: a kinetic and crystallographic analysis.BDB J Med Chem 48: 8148-54 (2005) University of Pavia 2D 3D TSV
16366595 10 Estradiol-adenosine hybrid compounds designed to inhibit type 1 17beta-hydroxysteroid dehydrogenase.EBI J Med Chem 48: 8134-47 (2005) CHUQ-Pavillon CHUL and Université Laval 2D 3D TSV
16366592 33 Conversion of the potent delta-opioid agonist H-Dmt-Tic-NH-CH(2)-bid into delta-opioid antagonists by N(1)-benzimidazole alkylation(1).EBI J Med Chem 48: 8112-4 (2005) University of Cagliari 2D 3D TSV
16366591 3 Human P2Y(6) receptor: molecular modeling leads to the rational design of a novel agonist based on a unique conformational preference.EBI J Med Chem 48: 8108-11 (2005) NIDDK 2D 3D TSV
16366590 12 Semi-rational design of (north)-methanocarba nucleosides as dual acting A(1) and A(3) adenosine receptor agonists: novel prototypes for cardioprotection.EBI J Med Chem 48: 8103-7 (2005) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
16364642 21 Synthesis and SAR of substituted tetrahydrocarbazole derivatives as new NPY-1 antagonists.EBI Bioorg Med Chem Lett 16: 1749-52 (2006) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
16364640 79 2-((1H-Azol-1-yl)methyl)-N-arylbenzamides: novel dual inhibitors of VEGFR-1/2 kinases.EBI Bioorg Med Chem Lett 16: 1726-30 (2006) Chemical Diversity Inc. 2D 3D TSV
16364639 101 Optimization of a privileged structure leading to potent and selective human melanocortin subtype-4 receptor ligands.EBI Bioorg Med Chem Lett 16: 1130-3 (2006) Merck Research Laboratories 2D 3D TSV
16364638 99 Aza-retinoids as novel retinoid X receptor-specific agonists.EBI Bioorg Med Chem Lett 16: 2352-6 (2006) Ligand Pharmaceuticals Inc. 2D 3D TSV
16361099 24 Probing structure/affinity relationships for the Plasmodium falciparum hexose transporter with glucose derivatives.EBI Bioorg Med Chem Lett 16: 1267-71 (2006) Université Joseph Fourier Grenoble 1 2D 3D TSV
16361098 70 Synthesis and biological evaluation of novel hexahydro-pyrido[3',2':4,5]pyrrolo[1,2-a]pyrazines as potent and selective 5-HT(2C) receptor agonists.EBI Bioorg Med Chem Lett 16: 1207-11 (2006) F. Hoffmann-La Roche Ltd 2D 3D TSV
16359865 22 Synthesis and structure-activity relationships of novel pyrrolocarbazole lactam analogs as potent and cell-permeable inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1).EBI Bioorg Med Chem Lett 16: 1151-5 (2006) Cephalon, Inc. 2D 3D TSV
16356715 32 A topological function based on spectral moments for predicting affinity toward A3 adenosine receptors.EBI Bioorg Med Chem Lett 16: 1291-6 (2006) Vigo University 2D 3D TSV
16356714 16 Synthesis of 3-benzyl-2-substituted quinoxalines as novel monoamine oxidase A inhibitors.EBI Bioorg Med Chem Lett 16: 1753-6 (2006) University of Alexandria 2D 3D TSV
16356713 14 Protein tyrosine phosphatase 1B inhibitors from Morus root bark.EBI Bioorg Med Chem Lett 16: 1426-9 (2006) Korea Research Institute of Bioscience and Biotechnology (KRIBB) 2D 3D TSV
16352709 44 Antidepressant-like activity and modulation of brain monoaminergic transmission by blockade of anandamide hydrolysis.BDB Proc Natl Acad Sci U S A 102: 18620-5 (2005) McGill University 2D 3D TSV
16343901 15 Triaminotriazine DNA helicase inhibitors with antibacterial activity.EBI Bioorg Med Chem Lett 16: 1286-90 (2006) Targanta Therapeutics Inc. 2D 3D TSV
16339913 6 Pharmacological characterization of (E)-N-(4-fluorobut-2-enyl)-2beta-carbomethoxy-3beta-(4'-tolyl)nortropane (LBT-999) as a highly promising fluorinated ligand for the dopamine transporter.BDB J Pharmacol Exp Ther 317: 147-52 (2006) Univ. Tours 2D 3D TSV
16338239 26 Thyroid receptor ligands. Part 5: novel bicyclic agonist ligands selective for the thyroid hormone receptor beta.EBI Bioorg Med Chem Lett 16: 1240-4 (2006) Karo Bio AB 2D 3D TSV
16338135 50 The discovery of a potent and selective lethal factor inhibitor for adjunct therapy of anthrax infection.BDB Bioorg Med Chem Lett 16: 964-8 (2006) Merck Research Laboratories 2D 3D TSV
16337793 39 Synthesis and in vitro evaluation of novel derivatives of diphenylsulfide as serotonin transporter ligands.EBI Bioorg Med Chem Lett 16: 1297-300 (2006) INSERM 2D 3D TSV
16337791 34 Isothiazoloquinolones containing functionalized aromatic hydrocarbons at the 7-position: synthesis and in vitro activity of a series of potent antibacterial agents with diminished cytotoxicity in human cells.EBI Bioorg Med Chem Lett 16: 1272-6 (2006) Achillion Pharmaceuticals, Inc. 2D 3D TSV
16337789 40 Biological evaluation of isothiazoloquinolones containing aromatic heterocycles at the 7-position: In vitro activity of a series of potent antibacterial agents that are effective against methicillin-resistant Staphylococcus aureus.EBI Bioorg Med Chem Lett 16: 1277-81 (2006) Achillion Pharmaceuticals, Inc. 2D 3D TSV
16337379 14 Identification of phosphodiesterase-1 and 5 dual inhibitors by a ligand-based virtual screening optimized for lead evolution.EBI Bioorg Med Chem Lett 16: 1371-9 (2006) Sumitomo Pharmaceuticals Co., Ltd 2D 3D TSV
16337231 4 High-resolution crystal structure of aldose reductase complexed with the novel sulfonyl-pyridazinone inhibitor exhibiting an alternative active site anchoring group.BDB J Mol Biol 356: 45-56 (2006) Philipps-University Marburg 2D 3D TSV
16337122 11 SAR and inhibitor complex structure determination of a novel class of potent and specific Aurora kinase inhibitors.BDB Bioorg Med Chem Lett 16: 1320-23 (2006) AstraZeneca 2D 3D TSV
16337121 22 Synthesis and SAR of 1,2-trans-(1-hydroxy-3-phenylprop-1-yl)cyclopentane carboxamide derivatives, a new class of sodium channel blockers.EBI Bioorg Med Chem Lett 16: 1358-61 (2006) Merck Research Laboratories 2D 3D TSV
16337120 53 Design and synthesis of 2'-anilino-4,4'-bipyridines as selective inhibitors of c-Jun N-terminal kinase-3.EBI Bioorg Med Chem Lett 16: 1397-401 (2006) AstraZeneca R&D Södertälje 2D 3D TSV
16337119 48 Design and synthesis of novel 5,6-disubstituted uracil derivatives as potent inhibitors of thymidine phosphorylase.BDB Bioorg Med Chem Lett 16: 1335-7 (2006) Academy of Sciences of the Czech Republic 2D 3D TSV
16337118 14 From pyrroles to pyrrolo[1,2-a]pyrazinones: a new class of mGluR1 antagonists.EBI Bioorg Med Chem Lett 16: 1342-5 (2006) GlaxoSmithKline Medicine Research Centre 2D 3D TSV
16335934 10 A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold.EBI J Med Chem 48: 8098-102 (2005) Uppsala University 2D 3D TSV
16335933 23 Antitrypanosomal, antileishmanial, and antimalarial activities of quaternary arylalkylammonium 2-amino-4-chlorophenyl phenyl sulfides, a new class of trypanothione reductase inhibitor, and of N-acyl derivatives of 2-amino-4-chlorophenyl phenyl sulfide.EBI J Med Chem 48: 8087-97 (2005) University of Manchester 2D 3D TSV
16335932 7 cycloSal-PMEA and cycloAmb-PMEA: potentially new phosphonate prodrugs based on the cycloSal-pronucleotide approach.EBI J Med Chem 48: 8079-86 (2005) University of Hamburg 2D 3D TSV
16335931 14 Synthesis and biological evaluation of a novel series of"ortho-nitrated" inhibitors of catechol-O-methyltransferase.EBI J Med Chem 48: 8070-8 (2005) Department of Research & Development 2D 3D TSV
16335928 42 Discovery of indoles as potent and selective inhibitors of the deacetylase SIRT1.EBI J Med Chem 48: 8045-54 (2005) Elixir Pharmaceuticals 2D 3D TSV
16335927 48 Potent Dmt-Tic pharmacophoric delta- and mu-opioid receptor antagonists.EBI J Med Chem 48: 8035-44 (2005) Kobe Gakuin University 2D 3D TSV
16335925 68 Diketo acid pharmacophore. 2. Discovery of structurally diverse inhibitors of HIV-1 integrase.EBI J Med Chem 48: 8009-15 (2005) University of Southern California 2D 3D TSV
16335922 26 Chemoenzymatic synthesis of a series of 4-substituted glutamate analogues and pharmacological characterization at human glutamate transporters subtypes 1-3.EBI J Med Chem 48: 7980-92 (2005) Université Blaise Pascal 2D 3D TSV
16335921 99 Further structure-activity relationship studies of piperidine-based monoamine transporter inhibitors: effects of piperidine ring stereochemistry on potency. Identification of norepinephrine transporter selective ligands and broad-spectrum transporter inhibitors.EBI J Med Chem 48: 7970-9 (2005) University of Illinois at Chicago 2D 3D TSV
16335920 5 Use of structure-based drug design approaches to obtain novel anthranilic acid acyl carrier protein synthase inhibitors.EBI J Med Chem 48: 7960-9 (2005) Wyeth Research 2D 3D TSV
16335918 68 1,2,4-Triazolo[1,5-a]quinoxaline as a versatile tool for the design of selective human A3 adenosine receptor antagonists: synthesis, biological evaluation, and molecular modeling studies of 2-(hetero)aryl- and 2-carboxy-substituted derivatives.EBI J Med Chem 48: 7932-45 (2005) Università degli Studi di Firenze 2D 3D TSV
16335915 16 First structure-activity relationship study on dopamine D3 receptor agents with N-[4-(4-arylpiperazin-1-yl)butyl]arylcarboxamide structure.EBI J Med Chem 48: 7919-22 (2005) Università degli Studi di Bari 2D 3D TSV
16332439 58 Studies toward the discovery of the next generation of antidepressants. Part 5: 3,4-Dihydro-2H-benzo[1,4]oxazine derivatives with dual 5-HT1A receptor and serotonin transporter affinity.EBI Bioorg Med Chem Lett 16: 1338-41 (2006) Wyeth Research 2D 3D TSV
16332437 92 Discovery of potent, selective, and orally bioavailable pyridone-based dipeptidyl peptidase-4 inhibitors.BDB Bioorg Med Chem Lett 16: 1346-9 (2006) Merck Research Laboratories 2D 3D TSV
16332435 38 Design and synthesis of a novel, achiral class of highly potent and selective, orally active neurokinin-1 receptor antagonists.EBI Bioorg Med Chem Lett 16: 1362-5 (2006) F. Hoffmann-La Roche Ltd 2D 3D TSV
16325402 15 Design, synthesis, and structure-activity relationship of novel thiophene derivatives for beta-amyloid plaque imaging.EBI Bioorg Med Chem Lett 16: 1350-2 (2006) University of Pennsylvania 2D 3D TSV
16325401 25 Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: protein structure-guided design and SAR.BDB Bioorg Med Chem Lett 16: 1353-7 (2006) Vernalis (R&D) Ltd 2D 3D TSV
16321531 86 Hetaryl imidazoles: a novel dual inhibitors of VEGF receptors I and II.EBI Bioorg Med Chem Lett 16: 1440-4 (2006) Chemical Diversity, Inc. 2D 3D TSV
16321529 30 Naphthofuroquinone derivatives: inhibition of receptor tyrosine kinases.EBI Bioorg Med Chem Lett 16: 737-42 (2005) Korea Research Institute of Chemical Technology 2D 3D TSV
16321528 41 Expedited SAR study of high-affinity ligands to the alpha(2)delta subunit of voltage-gated calcium channels: Generation of a focused library using a solution-phase Sn2Ar coupling methodology.EBI Bioorg Med Chem Lett 16: 746-9 (2005) Merck Research Laboratories 2D 3D TSV
16321527 1 Synthesis and biological characterization of [3H] (2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-(4-chlorophenyl)-methanone, the first radiolabelled adenosine A1 allosteric enhancer.EBI Bioorg Med Chem Lett 16: 1402-4 (2006) Università di Ferrara 2D 3D TSV
16321524 8 In silico fragment-based discovery of DPP-IV S1 pocket binders.EBI Bioorg Med Chem Lett 16: 1405-9 (2006) Santhera Pharmaceuticals 2D 3D TSV
16321523 15 Sarcosine based indandione hGlyT1 inhibitors.EBI Bioorg Med Chem Lett 16: 1388-91 (2006) Merck Sharp and Dohme Research Laboratories 2D 3D TSV
16316253 5 Strong solute-solute dispersive interactions in a protein-ligand complex.BDB J Am Chem Soc 127: 17061-7 (2005) University of Leeds 2D 3D TSV
16314097 113 Designing rapid onset selective serotonin re-uptake inhibitors. Part 1: Structure-activity relationships of substituted (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydro-1-naphthaleneamine.EBI Bioorg Med Chem Lett 16: 1434-9 (2006) Pfizer Global Research and Development 2D 3D TSV
16309907 129 Androstenediol analogs as ER-beta-selective SERMs.EBI Bioorg Med Chem Lett 16: 834-8 (2006) Merck Research Laboratories 2D 3D TSV
16309906 3 Synthesis and pharmacochemical study of novel polyfunctional molecules combining anti-inflammatory, antioxidant, and hypocholesterolemic properties.EBI Bioorg Med Chem Lett 16: 825-9 (2006) Aristotelian University of Thessaloniki 2D 3D TSV
16309311 6 (+)-Myristinins A and D from Knema elegans, which inhibit DNA polymerase beta and cleave DNA.EBI J Nat Prod 68: 1625-8 (2005) University of Virginia 2D 3D TSV
16309309 6 Free-radical-scavenging and xanthine oxidase inhibitory constituents from Stereospermum personatum.EBI J Nat Prod 68: 1615-21 (2005) Institute of Chemical Technology 2D 3D TSV
16307879 30 Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma.BDB Bioorg Med Chem Lett 16: 821-4 (2006) GSK 2D 3D TSV
16307878 25 Synthesis and structure-activity relationships of 8-azabicyclo[3.2.1]octane benzylamine NK1 antagonists.EBI Bioorg Med Chem Lett 16: 811-4 (2006) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
16303309 31 Bicyclic and tricyclic thiophenes as protein tyrosine phosphatase 1B inhibitors.BDB Bioorg Med Chem 14: 2162-77 (2006) Wyeth Research 2D 3D TSV
16303304 18 Thyroid receptor ligands. Part 4: 4'-amido bioisosteric ligands selective for the thyroid hormone receptor beta.BDB Bioorg Med Chem Lett 16: 884-6 (2006) Karo Bio AB 2D 3D TSV
16303301 44 Synthesis of 2,5-thiazole butanoic acids as potent and selective alpha(v)beta3 integrin receptor antagonists with improved oral pharmacokinetic properties.EBI Bioorg Med Chem Lett 16: 845-9 (2006) Pfizer Global Research and Development 2D 3D TSV
16302826 129 Discovery and development of a new class of potent, selective, orally active oxytocin receptor antagonists.EBI J Med Chem 48: 7882-905 (2005) Serono Pharmaceutical Research Institute 2D 3D TSV
16302825 33 Synthesis and pharmacology of willardiine derivatives acting as antagonists of kainate receptors.EBI J Med Chem 48: 7867-81 (2005) University Walk 2D 3D TSV
16302824 102 Carbonic anhydrase inhibitors. The mitochondrial isozyme VB as a new target for sulfonamide and sulfamate inhibitors.BDB J Med Chem 48: 7860-6 (2005) Kochi Medical School 2D 3D TSV
16302823 7 On the use of nonfluorescent dye labeled ligands in FRET-based receptor binding studies.EBI J Med Chem 48: 7847-59 (2005) UMR CNRS/ULP 7081 2D 3D TSV
16302822 116 Discovery of potent chromen-4-one inhibitors of the DNA-dependent protein kinase (DNA-PK) using a small-molecule library approach.EBI J Med Chem 48: 7829-46 (2005) School of Natural Sciences--Chemistry 2D 3D TSV
16302820 45 Adenosine kinase inhibitors. 6. Synthesis, water solubility, and antinociceptive activity of 5-phenyl-7-(5-deoxy-beta-D-ribofuranosyl)pyrrolo[2,3-d]pyrimidines substituted at C4 with glycinamides and related compounds.EBI J Med Chem 48: 7808-20 (2005) Metabasis Therapeutics, Inc. 2D 3D TSV
16302818 15 Design, synthesis, and biological evaluation of sirtinol analogues as class III histone/protein deacetylase (Sirtuin) inhibitors.EBI J Med Chem 48: 7789-95 (2005) Università degli Studi di Roma "La Sapienza" 2D 3D TSV
16302817 83 Small molecule inhibitors of dynamin I GTPase activity: development of dimeric tyrphostins.EBI J Med Chem 48: 7781-8 (2005) The University of Newcastle 2D 3D TSV
16302812 6 Syntheses, biological evaluation, and molecular modeling of 18F-labeled 4-anilidopiperidines as mu-opioid receptor imaging agents.EBI J Med Chem 48: 7720-32 (2005) Technische Universität München 2D 3D TSV
16302810 9 Mono- or diphenylpyridazines connected to N-(2,4-difluorophenyl)-N'-heptylurea as acyl-CoA:cholesterol acyltransferase inhibitors.EBI J Med Chem 48: 7708-13 (2005) Università di Milano 2D 3D TSV
16302809 196 Interaction of papain-like cysteine proteases with dipeptide-derived nitriles.BDB J Med Chem 48: 7688-707 (2005) Rheinische Friedrich-Wilhelms-Universitat Bonn 2D 3D TSV
16302808 28 Grafting aminocyclopentane carboxylic acids onto the RGD tripeptide sequence generates low nanomolar alphaVbeta3/alphaVbeta5 integrin dual binders.EBI J Med Chem 48: 7675-87 (2005) Universit£ di Parma 2D 3D TSV
16302807 34 Conformationally constrained CCK4 analogues incorporating IBTM and BTD beta-turn mimetics.EBI J Med Chem 48: 7667-74 (2005) Instituto de Química Médica (CSIC) 2D 3D TSV
16302804 145 N-benzylisatin sulfonamide analogues as potent caspase-3 inhibitors: synthesis, in vitro activity, and molecular modeling studies.BDB J Med Chem 48: 7637-47 (2005) Washington University School of Medicine 2D 3D TSV
16302800 21 Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM-1) kinase.EBI J Med Chem 48: 7604-14 (2005) Oxford University 2D 3D TSV
16302799 2 3,6-disubstituted coumarins as mechanism-based inhibitors of thrombin and factor Xa.EBI J Med Chem 48: 7592-603 (2005) University of Namur 2D 3D TSV
16302797 232 2-(Quinazolin-4-ylamino)-[1,4]benzoquinones as covalent-binding, irreversible inhibitors of the kinase domain of vascular endothelial growth factor receptor-2.EBI J Med Chem 48: 7560-81 (2005) Wyeth Research 2D 3D TSV
16302795 36 Lysosomotropism of basic cathepsin K inhibitors contributes to increased cellular potencies against off-target cathepsins and reduced functional selectivity.BDB J Med Chem 48: 7535-43 (2005) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
16302794 53 Design and synthesis of tri-ring P3 benzamide-containing aminonitriles as potent, selective, orally effective inhibitors of cathepsin K.EBI J Med Chem 48: 7520-34 (2005) Celera Genomics, Inc. 2D 3D TSV
16302792 19 Rhodamine-labeled 2beta-carbomethoxy-3beta-(3,4-dichlorophenyl)tropane analogues as high-affinity fluorescent probes for the dopamine transporter.EBI J Med Chem 48: 7513-6 (2005) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
16300947 60 Substituted 4-hydroxyphenyl sulfonamides as pathway-selective estrogen receptor ligands.EBI Bioorg Med Chem Lett 16: 854-8 (2006) Wyeth Research 2D 3D TSV
16300945 21 Aplysamine-1 and related analogs as histamine H3 receptor antagonists.EBI Bioorg Med Chem Lett 16: 897-900 (2006) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
16300943 5 Inhibition of DNA helicases with DNA-competitive inhibitors.EBI Bioorg Med Chem Lett 16: 923-7 (2006) Novartis Institutes for Biomedical Research 2D 3D TSV
16298527 10 Design, synthesis, and biological evaluation of monopyrrolinone-based HIV-1 protease inhibitors possessing augmented P2' side chains.BDB Bioorg Med Chem Lett 16: 859-63 (2006) University of Pennsylvania 2D 3D TSV
16298525 96 Synthesis and structure-activity relationships of a new series of 2alpha-substituted trans-4,5-dimethyl-4-(3-hydroxyphenyl)piperidine as mu-selective opioid antagonists.EBI Bioorg Med Chem Lett 16: 864-8 (2006) Adolor Corporation 2D 3D TSV
16298130 32 Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 5.EBI Bioorg Med Chem Lett 16: 2347-51 (2006) Lilly Research Laboratories 2D 3D TSV
16298129 18 Novel non-nucleobase inhibitors of Staphylococcus aureus DNA polymerase IIIC.EBI Bioorg Med Chem Lett 16: 891-6 (2006) Targanta Therapeutics Inc. 2D 3D TSV
16298128 4 Enhanced FTase activity achieved via piperazine interaction with catalytic zinc.EBI Bioorg Med Chem Lett 16: 984-8 (2006) Schering-Plough Research Institute 2D 3D TSV
16298127 80 Convergent, parallel synthesis of a series of beta-substituted 1,2,4-oxadiazole butanoic acids as potent and selective alpha(v)beta3 receptor antagonists.EBI Bioorg Med Chem Lett 16: 839-44 (2006) Pfizer Inc. 2D 3D TSV
16297626 14 Hit-to-Lead studies: the discovery of potent, orally bioavailable thiazolopyrimidine CXCR2 receptor antagonists.EBI Bioorg Med Chem Lett 16: 960-3 (2006) AstraZeneca R&D Charnwood 2D 3D TSV
16297621 17 Pyridobenzodiazepines: a novel class of orally active, vasopressin V2 receptor selective agonists.EBI Bioorg Med Chem Lett 16: 954-9 (2006) Wyeth Research 2D 3D TSV
16297619 24 Synthesis and evaluation of 2-anilino-3-phenylsulfonyl-6-methylpyridines as corticotropin-releasing factor1 receptor ligands.EBI Bioorg Med Chem Lett 16: 934-7 (2006) Pharmaceutical Research Institute 2D 3D TSV
16297618 32 Synthesis and structure-activity relationships of novel dipeptides and reduced dipeptides as ligands for melanocortin subtype-4 receptor.EBI Bioorg Med Chem Lett 16: 2341-6 (2006) Lilly Research Laboratories 2D 3D TSV
16297617 87 Reduction of CYP450 inhibition in the 4-[(1H-imidazol-4-yl)methyl]piperidine series of histamine H3 receptor antagonists.EBI Bioorg Med Chem Lett 16: 989-94 (2006) The Schering Plough Research Institute 2D 3D TSV
16290936 69 Semicarbazone-based inhibitors of cathepsin K, are they prodrugs for aldehyde inhibitors?EBI Bioorg Med Chem Lett 16: 978-83 (2006) GlaxoSmithKline 2D 3D TSV
16290935 17 Synthesis and structure-activity relationships of novel poly(ADP-ribose) polymerase-1 inhibitors.EBI Bioorg Med Chem Lett 16: 938-42 (2006) Cephalon, Inc. 2D 3D TSV
16290934 51 Highly potent and selective zwitterionic agonists of the delta-opioid receptor. Part 1.EBI Bioorg Med Chem Lett 16: 905-10 (2006) Pfizer Global Research and Development 2D 3D TSV
16290932 33 Phthalazinones 2: Optimisation and synthesis of novel potent inhibitors of poly(ADP-ribose)polymerase.EBI Bioorg Med Chem Lett 16: 1040-4 (2006) KuDOS Pharmaceuticals Ltd 2D 3D TSV
16290930 23 Phenolic P2/P3 core motif as thrombin inhibitors--design, synthesis, and X-ray co-crystal structure.EBI Bioorg Med Chem Lett 16: 1032-6 (2006) Universit£ de Montr£al 2D 3D TSV
16290148 44 3-Amino-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazoles: a new class of CDK2 inhibitors.BDB Bioorg Med Chem Lett 16: 1084-90 (2006) Nerviano Medical Sciences 2D 3D TSV
16290146 30 Carbonic anhydrase inhibitors: Valdecoxib binds to a different active site region of the human isoform II as compared to the structurally related cyclooxygenase II"selective" inhibitor celecoxib.EBI Bioorg Med Chem Lett 16: 437-42 (2005) Istituto di Biostrutture e Bioimmagini-CNR 2D 3D TSV
16290145 30 Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives.EBI Bioorg Med Chem Lett 16: 592-5 (2005) Huazhong University of Science and Technology 2D 3D TSV
16290144 17 Pyridazines part 41: synthesis, antiplatelet activity and SAR of 2,4,6-substituted 5-(3-oxo-3-phenylprop-1-en-1-yl)- or 5-(3-phenylprop-2-enoyl)pyridazin-3(2H)-ones.EBI Bioorg Med Chem Lett 16: 1080-3 (2006) Universidad de Santiago de Compostela 2D 3D TSV
16290143 18 Cyclic urea derivatives as potent NK1 selective antagonists. Part II: Effects of fluoro and benzylic methyl substitutions.EBI Bioorg Med Chem Lett 16: 1065-9 (2006) Schering-Plough Research Institute 2D 3D TSV
16290142 10 Design of novel hexahydropyrazinoquinolines as potent and selective dopamine D3 receptor ligands with improved solubility.EBI Bioorg Med Chem Lett 16: 443-6 (2005) University of Michigan 2D 3D TSV
16290141 40 Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: 1H-pyrimidin-2-one derivatives.EBI Bioorg Med Chem Lett 16: 490-4 (2005) Abbott GmbH & Co. KG 2D 3D TSV
16290140 54 Identification of Darmstoff analogs as selective agonists and antagonists of lysophosphatidic acid receptors.EBI Bioorg Med Chem Lett 16: 451-6 (2005) University of Tennessee Health Science Center 2D 3D TSV
16289938 24 Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and verification.BDB Bioorg Med Chem 14: 1792-804 (2006) Vernalis (R&D) Ltd 2D 3D TSV
16289879 34 PTP-1B inhibitors: cyclopenta[d][1,2]-oxazine derivatives.EBI Bioorg Med Chem Lett 16: 499-502 (2005) Korea Research Institute of Chemical Technology 2D 3D TSV
16289878 35 Conversion of potent MMP inhibitors into selective TACE inhibitors.EBI Bioorg Med Chem Lett 16: 1028-31 (2006) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16289820 14 Conversion of A3 adenosine receptor agonists into selective antagonists by modification of the 5'-ribofuran-uronamide moiety.EBI Bioorg Med Chem Lett 16: 596-601 (2005) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
16289819 79 6-Acylamino-2-amino-4-methylquinolines as potent melanin-concentrating hormone 1 receptor antagonists: structure-activity exploration of eastern and western parts.EBI Bioorg Med Chem Lett 16: 1070-5 (2006) 7TM Pharma A/S 2D 3D TSV
16289818 90 Guiding farnesyltransferase inhibitors from an ECLiPS library to the catalytic zinc.EBI Bioorg Med Chem Lett 16: 507-11 (2005) Princ 2D 3D TSV
16289817 23 Piperazinyl oxime ethers as NK-1 receptor antagonists.EBI Bioorg Med Chem Lett 16: 1045-8 (2006) Solvay Pharma 2D 3D TSV
16289815 1 A novel nicotinic acetylcholine receptor antagonist radioligand for PET studies.EBI Bioorg Med Chem Lett 16: 1049-53 (2006) Brookhaven National Laboratory 2D 3D TSV
16289813 4 Intermolecular interactions in the crystal structures of potential HIV-1 integrase inhibitors.EBI Bioorg Med Chem Lett 16: 1005-9 (2006) Jagiellonian University 2D 3D TSV
16289811 56 The discovery of fluoropyridine-based inhibitors of the factor VIIa/TF complex--Part 2.EBI Bioorg Med Chem Lett 16: 1060-4 (2006) Pfizer Global Research and Development 2D 3D TSV
16288880 41 Discovery of potent and selective PARP-1 and PARP-2 inhibitors: SBDD analysis via a combination of X-ray structural study and homology modeling.BDB Bioorg Med Chem 14: 1378-90 (2006) Fujisawa Pharmaceutical Co. Ltd 2D 3D TSV
16288866 10 In silico design and synthesis of piperazine-1-pyrrolidine-2,5-dione scaffold-based novel malic enzyme inhibitors.EBI Bioorg Med Chem Lett 16: 525-8 (2005) Cytrx Laboratories 2D 3D TSV
16279811 2 Random chemistry as a new tool for the generation of small compound libraries: development of a new acetylcholinesterase inhibitor.EBI J Med Chem 48: 7496-9 (2005) University of Würzburg 2D 3D TSV
16279810 5 Synthesis and pharmacological characterization of exo-2-(2'-chloro-5-pyridinyl)-7-(endo and exo)-aminobicyclo[2.2.1]heptanes as novel epibatidine analogues.EBI J Med Chem 48: 7491-5 (2005) Research Triangle Institute 2D 3D TSV
16279809 23 1-Benzhydryl-3-phenylurea and 1-benzhydryl-3-phenylthiourea derivatives: new templates among the CB1 cannabinoid receptor inverse agonists.EBI J Med Chem 48: 7486-90 (2005) Universit£ catholique de Louvain 2D 3D TSV
16279804 40 Anilinodialkoxyquinazolines: screening epidermal growth factor receptor tyrosine kinase inhibitors for potential tumor imaging probes.EBI J Med Chem 48: 7445-56 (2005) Lawrence Berkeley National Laboratory 2D 3D TSV
16279803 59 Synthesis and monoamine transporter binding properties of 2,3-diaryltropanes.EBI J Med Chem 48: 7437-44 (2005) Research Triangle Institute 2D 3D TSV
16279799 5 Irreversible inactivation of trypanothione reductase by unsaturated Mannich bases: a divinyl ketone as key intermediate.EBI J Med Chem 48: 7400-10 (2005) Biochemie-Zentrum der Universität Heidelberg 2D 3D TSV
16279797 132 Structure-activity relationship of triazafluorenone derivatives as potent and selective mGluR1 antagonists.EBI J Med Chem 48: 7374-88 (2005) Abbott Laboratories 2D 3D TSV
16279795 36 Tricyclic pyrazoles. 3. Synthesis, biological evaluation, and molecular modeling of analogues of the cannabinoid antagonist 8-chloro-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl-1,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazole-3-carboxamide.EBI J Med Chem 48: 7351-62 (2005) Università di Sassari 2D 3D TSV
16279794 46 Design, synthesis, and binding studies of new potent ligands of cannabinoid receptors.EBI J Med Chem 48: 7343-50 (2005) Universit£ degli Studi di Siena 2D 3D TSV
16279793 36 Inhibitors of tripeptidyl peptidase II. 3. Derivation of butabindide by successive structure optimizations leading to a potential general approach to designing exopeptidase inhibitors.EBI J Med Chem 48: 7333-42 (2005) University College London 2D 3D TSV
16279788 4 Urotensin-II receptor ligands. From agonist to antagonist activity.EBI J Med Chem 48: 7290-7 (2005) University of Naples Federico II 2D 3D TSV
16279787 14 Enantioselective nonsteroidal aromatase inhibitors identified through a multidisciplinary medicinal chemistry approach.BDB J Med Chem 48: 7282-9 (2005) University of Bologna 2D 3D TSV
16279784 12 Radioiodinated flavones for in vivo imaging of beta-amyloid plaques in the brain.EBI J Med Chem 48: 7253-60 (2005) Nagasaki University 2D 3D TSV
16279783 12 Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase.EBI J Med Chem 48: 7243-52 (2005) University of Michigan 2D 3D TSV
16279781 50 Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease.BDB J Med Chem 48: 7223-33 (2005) Neuropharma 2D 3D TSV
16279780 36 Synthesis of N-{4-[(2,4-diamino-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid and N-{4-[(2-amino-4-oxo-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-L-glutamic acid as dual inhibitors of dihydrofolate reductase and thymidylate synthase and aBDB J Med Chem 48: 7215-22 (2005) Duquesne University 2D 3D TSV
16279775 61 Synthesis and 3D QSAR of new pyrazolo[3,4-b]pyridines: potent and selective inhibitors of A1 adenosine receptors.EBI J Med Chem 48: 7172-85 (2005) Università degli Studi di Siena 2D 3D TSV
16279769 28 Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)- pyrazole derivatives.BDB J Med Chem 48: 7113-22 (2005) Universita degli Studi di Roma La Sapienza 2D 3D TSV
16279768 40 SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors.BDB J Med Chem 48: 7103-12 (2005) Instituto de Quimica Medica (CSIC) 2D 3D TSV
16279765 3 Synthesis and characterization of the novel fluorescent prolyl oligopeptidase inhibitor 4-fluoresceinthiocarbamoyl-6-aminocaproyl-L-prolyl-2(S)-(hydroxyacetyl)pyrrolidine.EBI J Med Chem 48: 7093-5 (2005) University of Kuopio 2D 3D TSV
16279764 29 7-(1,1-Dimethylethyl)-6-(2-ethyl-2H-1,2,4-triazol-3-ylmethoxy)-3-(2-fluorophenyl)-1,2,4-triazolo[4,3-b]pyridazine: a functionally selective gamma-aminobutyric acid(A) (GABA(A)) alpha2/alpha3-subtype selective agonist that exhibits potent anxiolytic activity but is not sedating in animal models.EBI J Med Chem 48: 7089-92 (2005) Merck Sharp and Dohme Research Laboratories 2D 3D TSV
16277992 12 Kinetic, stability, and structural changes in high-resolution crystal structures of HIV-1 protease with drug-resistant mutations L24I, I50V, and G73S.BDB J Mol Biol 354: 789-800 (2005) Georgia State University 2D 3D TSV
16275090 136 Novel 1,3-dipropyl-8-(1-heteroarylmethyl-1H-pyrazol-4-yl)-xanthine derivatives as high affinity and selective A2B adenosine receptor antagonists.EBI Bioorg Med Chem Lett 16: 302-6 (2005) CV Therapeutics Inc. 2D 3D TSV
16275087 78 Potent anti-muscarinic activity in a novel series of quinuclidine derivatives.EBI Bioorg Med Chem Lett 16: 373-7 (2005) UCB Pharma 2D 3D TSV
16275086 18 Synthesis and biological activity of the first cyclic biphalin analogues.EBI Bioorg Med Chem Lett 16: 367-72 (2005) University of Arizona 2D 3D TSV
16275085 29 Synthesis and biological evaluation of biphenylsulfonamide carboxylate aggrecanase-1 inhibitors.BDB Bioorg Med Chem Lett 16: 311-6 (2006) Wyeth Research 2D 3D TSV
16275084 7 New tyrosinase inhibitors selected by atomic linear indices-based classification models.EBI Bioorg Med Chem Lett 16: 324-30 (2005) Central University of Las Villas 2D 3D TSV
16275080 174 Substituted indanylacetic acids as PPAR-alpha-gamma activators.EBI Bioorg Med Chem Lett 16: 297-301 (2005) Bayer Research Center 2D 3D TSV
16275079 29 4-substituted cyclohexyl sulfones as potent, orally active gamma-secretase inhibitors.BDB Bioorg Med Chem Lett 16: 280-4 (2006) Merck Research Laboratories 2D 3D TSV
16275077 27 Design and synthesis of substituted phenylpropanoic acid derivatives as human peroxisome proliferator-activated receptor alpha/delta dual agonists.EBI Bioorg Med Chem Lett 16: 554-8 (2005) University of Tokyo 2D 3D TSV
16275076 45 Pyrrolopyridazine MEK inhibitors.EBI Bioorg Med Chem Lett 16: 628-32 (2005) Pharmaceutical Research Institute 2D 3D TSV
16275075 63 5-heteroatom substituted pyrazoles as canine COX-2 inhibitors. Part 1: Structure-activity relationship studies of 5-alkylamino pyrazoles and discovery of a potent, selective, and orally active analog.EBI Bioorg Med Chem Lett 16: 288-92 (2005) Veterinary Medicine Research and Development Pfizer Inc. 2D 3D TSV
16275073 16 Design, synthesis, and vasorelaxant and platelet antiaggregatory activities of coumarin-resveratrol hybrids.EBI Bioorg Med Chem Lett 16: 257-61 (2005) Universidad de Santiago de Compostela 2D 3D TSV
16275072 70 N-(Aryl)-4-(azolylethyl)thiazole-5-carboxamides: novel potent inhibitors of VEGF receptors I and II.BDB Bioorg Med Chem Lett 16: 602-6 (2006) Chemical Diversity, Inc 2D 3D TSV
16275071 26 A new chemical tool for exploring the physiological function of the PDE2 isozyme.EBI Bioorg Med Chem Lett 16: 307-10 (2005) Pfizer, Inc. 2D 3D TSV
16274992 29 Tethering identifies fragment that yields potent inhibitors of human caspase-1.EBI Bioorg Med Chem Lett 16: 559-62 (2005) Sunesis Pharmaceuticals 2D 3D TSV
16274990 21 Design and synthesis of 3,4-dihydro-1H-[1]-benzothieno[2,3-c]pyran and 3,4-dihydro-1H-pyrano[3,4-b]benzofuran derivatives as non-nucleoside inhibitors of HCV NS5B RNA dependent RNA polymerase.EBI Bioorg Med Chem Lett 16: 457-60 (2005) Wyeth Research 2D 3D TSV
16274989 40 Isolation and cholinesterase-inhibition studies of sterols from Haloxylon recurvum.EBI Bioorg Med Chem Lett 16: 573-80 (2005) University of Karachi 2D 3D TSV
16271472 4 Design, synthesis and structure-activity relationships of new phosphinate inhibitors of MurD.EBI Bioorg Med Chem Lett 16: 343-8 (2005) University of Ljubljana 2D 3D TSV
16271293 35 Synthesis and SAR of highly potent and selective dopamine D(3)-receptor antagonists: Quinolin(di)one and benzazepin(di)one derivatives. herve.geneste@abbott.com.EBI Bioorg Med Chem Lett 16: 658-62 (2005) Abbott GmbH & Co. KG 2D 3D TSV
16263284 36 Synthesis of functionalized 1,8-naphthyridinones and their evaluation as novel, orally active CB1 receptor inverse agonists.EBI Bioorg Med Chem Lett 16: 681-5 (2005) Merck Research Laboratories 2D 3D TSV
16263283 55 New bicyclic cannabinoid receptor-1 (CB1-R) antagonists.EBI Bioorg Med Chem Lett 16: 731-6 (2005) Pfizer Global Research and Development-Groton Laboratories 2D 3D TSV
16263282 43 Synthesis and pharmacological evaluation of second-generation phosphatidic acid derivatives as lysophosphatidic acid receptor ligands.EBI Bioorg Med Chem Lett 16: 633-40 (2005) University of Tennessee Health Science Center 2D 3D TSV
16263281 15 Conformationally biased P3 amide replacements of beta-secretase inhibitors.BDB Bioorg Med Chem Lett 16: 641-4 (2006) Merck Research Laboratories 2D 3D TSV
16263280 12 Design, synthesis and in vitro antimalarial activity of an acylhydrazone library.EBI Bioorg Med Chem Lett 16: 31-5 (2005) Universit£ de Lille II 2D 3D TSV
16263279 37 A new chemical tool for exploring the role of the PDE4D isozyme in leukocyte function.EBI Bioorg Med Chem Lett 16: 718-21 (2005) Pfizer, Inc. 2D 3D TSV
16263278 46 Novel phenylamino acetamide derivatives as potent and selective kappa opioid receptor agonists.EBI Bioorg Med Chem Lett 16: 645-8 (2005) Adolor Corporation 2D 3D TSV
16263276 2 A concise asymmetric route for the synthesis of a novel class of glucocorticoid mimetics containing a trifluoromethyl-substituted alcohol.EBI Bioorg Med Chem Lett 16: 654-7 (2005) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
16260133 43 The identification of potent and selective imidazole-based inhibitors of B-Raf kinase.EBI Bioorg Med Chem Lett 16: 378-81 (2005) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
16260132 6 Synthesis of N-benzylated-2-aminoquinolines as ligands for the Tec SH3 domain.EBI Bioorg Med Chem Lett 16: 387-90 (2005) The University of Adelaide 2D 3D TSV
16260131 53 Tetrahydrobenzothiophene inhibitors of hepatitis C virus NS5B polymerase.EBI Bioorg Med Chem Lett 16: 100-3 (2005) ViroPharma Inc 2D 3D TSV
16257207 96 Pyrrolo(iso)quinoline derivatives as 5-HT(2C) receptor agonists.EBI Bioorg Med Chem Lett 16: 677-80 (2005) Vernalis plc 2D 3D TSV
16257206 18 Derivatives of tramadol for increased duration of effect.EBI Bioorg Med Chem Lett 16: 691-4 (2005) Sepracor Inc. 2D 3D TSV
16257204 37 Generation of potent coagulation protease inhibitors utilizing zinc-mediated chelation.EBI Bioorg Med Chem Lett 16: 710-3 (2005) Celera 2D 3D TSV
16257203 24 Structure-based design of novel groups for use in the P1 position of thrombin inhibitor scaffolds. Part 1: Weakly basic azoles.EBI Bioorg Med Chem Lett 16: 338-42 (2005) Merck Research Laboratories 2D 3D TSV
16257202 74 Design and synthesis of heterocyclic malonyl-CoA decarboxylase inhibitors.EBI Bioorg Med Chem Lett 16: 695-700 (2005) Chugai Pharma USA, LLC 2D 3D TSV
16252923 4 Anti-inflammatory acylphloroglucinol derivatives from Hops (Humulus lupulus).EBI J Nat Prod 68: 1545-8 (2005) Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes 2D 3D TSV
16252917 8 Selective cyclooxygenase-2 inhibitors from Calophyllum membranaceum.EBI J Nat Prod 68: 1514-8 (2005) Chinese Academy of Sciences 2D 3D TSV
16250669 72 Pharmacophore-based design of HIV-1 integrase strand-transfer inhibitors.EBI J Med Chem 48: 7084-8 (2005) Università di Messina 2D 3D TSV
16250666 47 Synthesis and antibacterial activity of 3-substituted-6-(3-ethyl-4-methylanilino)uracils.EBI J Med Chem 48: 7063-74 (2005) GLSynthesis Inc. 2D 3D TSV
16250663 8 Synthesis and structure-activity relationships of suramin-derived P2Y11 receptor antagonists with nanomolar potency.EBI J Med Chem 48: 7040-8 (2005) University of Bonn 2D 3D TSV
16250662 2 Synthesis of 5-nitro-2-furancarbohydrazides and their cis-diamminedichloroplatinum complexes as bitopic and irreversible human thioredoxin reductase inhibitors.EBI J Med Chem 48: 7024-39 (2005) UMR 8525 CNRS-Université Lille II-Institut Pasteur de Lille 2D 3D TSV
16250661 13 11C-labeling of n-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]arylcarboxamide derivatives and evaluation as potential radioligands for PET imaging of dopamine D3 receptors.EBI J Med Chem 48: 7018-23 (2005) University of Milano/Bicocca 2D 3D TSV
16250658 8 Extraction and visualization of potential pharmacophore points using support vector machines: application to ligand-based virtual screening for COX-2 inhibitors.EBI J Med Chem 48: 6997-7004 (2005) Johann Wolfgang Goethe-Universität 2D 3D TSV
16250656 4 Fast small molecule similarity searching with multiple alignment profiles of molecules represented in one-dimension.EBI J Med Chem 48: 6980-90 (2005) Pharmacopeia Inc. 2D 3D TSV
16250654 41 2,5-diketopiperazines as potent, selective, and orally bioavailable oxytocin antagonists. 2. Synthesis, chirality, and pharmacokinetics.EBI J Med Chem 48: 6956-69 (2005) GlaxoSmithKline Research and Development 2D 3D TSV
16250653 22 Is antagonism of E/Z-guggulsterone at the farnesoid X receptor mediated by a noncanonical binding site? A molecular modeling study.EBI J Med Chem 48: 6948-55 (2005) Universit£ di Perugia 2D 3D TSV
16250649 10 Selective inhibitors of the serine protease plasmin: probing the S3 and S3' subsites using a combinatorial library.EBI J Med Chem 48: 6908-17 (2005) Brown University 2D 3D TSV
16250647 71 2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacological characterization.EBI J Med Chem 48: 6887-96 (2005) Universit£ degli Studi di Urbino Carlo Bo 2D 3D TSV
16250645 35 Azepanone-based inhibitors of human cathepsin L.EBI J Med Chem 48: 6870-8 (2005) GlaxoSmithKline 2D 3D TSV
16250644 66 Synthesis, structure-activity relationships, and biological properties of 1-heteroaryl-4-[omega-(1H-indol-3-yl)alkyl]piperazines, novel potential antipsychotics combining potent dopamine D2 receptor antagonism with potent serotonin reuptake inhibition.EBI J Med Chem 48: 6855-69 (2005) Solvay Pharma 2D 3D TSV
16250643 30 Pyrazolo[3,4-c]pyridazines as novel and selective inhibitors of cyclin-dependent kinases.BDB J Med Chem 48: 6843-54 (2005) Universidad San Pablo CEU 2D 3D TSV
16250640 7 Molecular modeling and molecular dynamics simulation of the human A2B adenosine receptor. The study of the possible binding modes of the A2B receptor antagonists.EBI J Med Chem 48: 6813-20 (2005) M. V. Lomonosov Moscow State University 2D 3D TSV
16250639 32 Optimization of the in vitro and in vivo properties of a novel series of 2,4,5-trisubstituted imidazoles as potent cholecystokinin-2 (CCK2) antagonists.EBI J Med Chem 48: 6803-12 (2005) James Black Foundation 2D 3D TSV
16250633 10 A selective estrogen receptor modulator designed for the treatment of uterine leiomyoma with unique tissue specificity for uterus and ovaries in rats.BDB J Med Chem 48: 6772-5 (2005) Lilly Research Laboratories 2D 3D TSV
16250632 2 Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors.EBI J Med Chem 48: 6767-71 (2005) Purdue University 2D 3D TSV
16249345 25 Inhibition of colony-stimulating-factor-1 signaling in vivo with the orally bioavailable cFMS kinase inhibitor GW2580.EBI Proc Natl Acad Sci U S A 102: 16078-83 (2005) GlaxoSmithKline 2D 3D TSV
16249185 8 The structure of dimeric ROCK I reveals the mechanism for ligand selectivity.BDB J Biol Chem 281: 260-8 (2006) Vertex Pharmaceuticals 2D 3D TSV
16249095 43 Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.BDB Bioorg Med Chem 14: 1255-73 (2006) UK Centre for Cancer Therapeutics 2D 3D TSV
16249085 26 Pyrazoloheteroaryls: novel p38alpha MAP kinase inhibiting scaffolds with oral activity.EBI Bioorg Med Chem Lett 16: 262-6 (2005) Novartis Institutes for BioMedical Research 2D 3D TSV
16249081 7 Macrocyclic peptidomimetic inhibitors of beta-secretase (BACE): first X-ray structure of a macrocyclic peptidomimetic-BACE complex.BDB Bioorg Med Chem Lett 16: 191-5 (2006) Lilly S.A. 2D 3D TSV
16248836 154 Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity.EBI Curr Drug Metab 6: 413-54 (2005) F. Hoffmann-La Roche Ltd. 2D 3D TSV
16246563 30 Peptide inhibitors of dengue virus NS3 protease. Part 2: SAR study of tetrapeptide aldehyde inhibitors.EBI Bioorg Med Chem Lett 16: 40-3 (2005) Novartis Institute for Tropical Diseases 2D 3D TSV
16246562 4 Development and evaluation of a pharmacophore model for inhibitors of aldosterone synthase (CYP11B2).BDB Bioorg Med Chem Lett 16: 25-30 (2006) Saarland University 2D 3D TSV
16246561 90 Discovery of N-(2-hydroxy-2-aryl-cyclohexyl) substituted spiropiperidines as GlyT1 antagonists with improved pharmacological profile.EBI Bioorg Med Chem Lett 16: 354-7 (2005) F. Hoffmann-La Roche Ltd 2D 3D TSV
16246560 10 1-[4-(1H-Benzoimidazol-2-yl)-phenyl]-3-[4-(1H-benzoimidazol-2-yl)-phenyl]-urea derivatives as small molecule heparanase inhibitors.EBI Bioorg Med Chem Lett 16: 409-12 (2005) ImClone Systems Inc 2D 3D TSV
16246558 18 Biphenyl-4-ylcarbamoyl thiophene carboxylic acids as potent DHODH inhibitors.BDB Bioorg Med Chem Lett 16: 267-70 (2006) 4SC AG 2D 3D TSV
16246557 75 Discovery of N-(2-aryl-cyclohexyl) substituted spiropiperidines as a novel class of GlyT1 inhibitors.EBI Bioorg Med Chem Lett 16: 349-53 (2005) F. Hoffmann-La Roche Ltd 2D 3D TSV
16246555 24 Pentacyclic triterpenes. Part 2: Synthesis and biological evaluation of maslinic acid derivatives as glycogen phosphorylase inhibitors.EBI Bioorg Med Chem Lett 16: 722-6 (2005) China Pharmaceutical University 2D 3D TSV
16246553 12 Peptide inhibitors of Dengue virus NS3 protease. Part 1: Warhead.EBI Bioorg Med Chem Lett 16: 36-9 (2005) Novartis Institute for Tropical Diseases 2D 3D TSV
16246552 57 Novel histamine H3 receptor antagonists based on the 4-[(1H-imidazol-4-yl)methyl]piperidine scaffold.EBI Bioorg Med Chem Lett 16: 395-9 (2005) The Schering Plough Research Institute 2D 3D TSV
16246551 23 N-(4-{[4-(1H-Benzoimidazol-2-yl)-arylamino]-methyl}-phenyl)-benzamide derivatives as small molecule heparanase inhibitors.EBI Bioorg Med Chem Lett 16: 404-8 (2005) ImClone Systems Inc 2D 3D TSV
16246548 22 Design, synthesis, and biological evaluation of the N-diarylalkenyl-piperidinecarboxylic acid derivatives as GABA uptake inhibitors (I).EBI Bioorg Med Chem Lett 16: 225-7 (2005) Fudan University 2D 3D TSV
16243961 17 M2 and M3 muscarinic receptor activation of urinary bladder contractile signal transduction. I. Normal rat bladder.BDB J Pharmacol Exp Ther 316: 869-74 (2006) Temple University 2D 3D TSV
16242653 33 A proteome-wide CDK/CRK-specific kinase inhibitor promotes tumor cell death in the absence of cell cycle progression.BDB Chem Biol 12: 1103-15 (2005) GPC Biotech, Inc. 2D 3D TSV
16242339 63 Thioureido N-acetyllactosamine derivatives as potent galectin-7 and 9N inhibitors.BDB Bioorg Med Chem 14: 1215-20 (2006) Lund University 2D 3D TSV
16242329 12 N-Hydroxyurea as zinc binding group in matrix metalloproteinase inhibition: mode of binding in a complex with MMP-8.EBI Bioorg Med Chem Lett 16: 20-4 (2005) Università degli Studi 'G. d'Annunzio' 2D 3D TSV
16242328 26 Synthesis and biological evaluation of 3-ethylidene-1,3-dihydro-indol-2-ones as novel checkpoint 1 inhibitors.BDB Bioorg Med Chem Lett 16: 421-6 (2006) Abbott Laboratories 2D 3D TSV
16242327 4 Crystal structure of human ERK2 complexed with a pyrazolo[3,4-c]pyridazine derivative.EBI Bioorg Med Chem Lett 16: 55-8 (2005) Fujisawa Pharmaceutical Co., Ltd 2D 3D TSV
16242323 13 Synthesis and biological activity of novel 4-phenyl-1,8-naphthyridin-2(1H)-on-3-yl ureas: potent acyl-CoA:cholesterol acyltransferase inhibitor with improved aqueous solubility.EBI Bioorg Med Chem Lett 16: 44-8 (2005) Sumitomo Pharmaceuticals Co., Ltd 2D 3D TSV
16242322 61 p38 MAP kinase inhibitors: metabolically stabilized piperidine-substituted quinolinones and naphthyridinones.EBI Bioorg Med Chem Lett 16: 64-8 (2005) Merck & Co. 2D 3D TSV
16238298 12 Diastereomeric molecular recognition and binding behavior of bile acids by L/D-tryptophan-modified beta-cyclodextrins.BDB J Org Chem 70: 8703-11 (2005) Nankai University 2D 3D TSV
16236510 85 4-Phenyl-4-[1H-imidazol-2-yl]-piperidine derivatives, a novel class of selective delta-opioid agonists.EBI Bioorg Med Chem Lett 16: 146-9 (2005) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
16236509 12 N-Sulfonyl hydroxamate derivatives as inhibitors of class II fructose-1,6-diphosphate aldolase.EBI Bioorg Med Chem Lett 15: 5375-7 (2005) Université Paul Sabatier 2D 3D TSV
16236508 35 3-Substituted indolizine-1-carbonitrile derivatives as phosphatase inhibitors.EBI Bioorg Med Chem Lett 16: 59-63 (2005) Technische Universität München 2D 3D TSV
16236504 87 Design and preparation of 2-benzamido-pyrimidines as inhibitors of IKK.EBI Bioorg Med Chem Lett 16: 108-12 (2005) Novartis Institutes for BioMedical Research 2D 3D TSV
16236500 26 Discovery, SAR, and X-ray structure of novel biaryl-based dipeptidyl peptidase IV inhibitors.BDB Bioorg Med Chem Lett 16: 123-8 (2006) Johnson & Johnson Pharmaceutical 2D 3D TSV
16236499 17 Optimization of CCR4 antagonists: side-chain exploration.EBI Bioorg Med Chem Lett 16: 204-7 (2005) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
16236498 14 Toll-like receptor 2 antagonists. Part 1: preliminary SAR investigation of novel synthetic phospholipids.EBI Bioorg Med Chem Lett 15: 5494-8 (2005) Eisai Research Institute 2D 3D TSV
16236497 48 Synthesis and monoamine transporter affinity of new 2beta-carbomethoxy-3beta-[aryl or heteroaryl]phenyltropanes.EBI Bioorg Med Chem Lett 16: 217-20 (2005) Yale University 2D 3D TSV
16236496 12 The first de novo designed inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase.BDB Bioorg Med Chem Lett 16: 88-92 (2006) University of Leeds 2D 3D TSV
16230018 28 Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE.BDB Bioorg Med Chem 13: 6588-97 (2005) Neuropharma 2D 3D TSV
16220987 133 Synthesis and structure-activity relationships of beta- and alpha-piperidine sulfone hydroxamic acid matrix metalloproteinase inhibitors with oral antitumor efficacy.BDB J Med Chem 48: 6713-30 (2005) Pfizer 2D 3D TSV
16220982 50 Investigation of the binding determinants of phosphopeptides targeted to the SRC homology 2 domain of the signal transducer and activator of transcription 3. Development of a high-affinity peptide inhibitor.BDB J Med Chem 48: 6661-70 (2005) The University of Texas at Houston 2D 3D TSV
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