Search by PubMed Identification
PMID | Data | Article Title | Citation | Organization | Data Download |
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16997560 | 2 | A metabolically stable tight-binding transition-state inhibitor of glyoxalase-I. | 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. | 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. | 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). | 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. | 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. | 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. | 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. | 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. | J Nat Prod 69: 1341-6 (2006) | Leopold-Franzens-Universit£t | 2D 3D TSV |
16989529 | 3 | Oculatol, oculatolide, and A-nor sterols from the sponge Haliclona oculata. | J Nat Prod 69: 1330-4 (2006) | Peking University | 2D 3D TSV |
16989524 | 3 | Antidepressant principles of the roots of Polygala tenuifolia. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 6116-9 (2006) | Pfizer Inc | 2D 3D TSV |
16979340 | 14 | Enzyme inhibition potency enhancement by active site metal chelating and hydrogen bonding induced conformation-restricted cyclopropanecarbonyl derivatives. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 6120-3 (2006) | Pfizer Inc | 2D 3D TSV |
16971122 | 4 | Inhibitors of unactivated p38 MAP kinase. | 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. | 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. | Bioorg Med Chem Lett 16: 6058-62 (2006) | Merck Sharp and Dohme Research Laboratories | 2D 3D TSV |
16971117 | 33 | Identification of non-furan containing A2A antagonists using database mining and molecular similarity approaches. | 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. | 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. | 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. | J Med Chem 49: 5777-84 (2006) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
16970401 | 3 | [4-(imidazol-1-yl)thiazol-2-yl]phenylamines. A novel class of highly potent colchicine site binding tubulin inhibitors: synthesis and cytotoxic activity on selected human cancer cell lines. | J Med Chem 49: 5769-76 (2006) | University of Regensburg | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 5649-52 (2006) | Eli Lilly and Company | 2D 3D TSV |
16970390 | 6 | Fumarranol, a rearranged fumagillin analogue that inhibits angiogenesis in vivo. | 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. | 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. | 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. | 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. | 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. | 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. | Cancer Res 66: 8715-21 (2006) | Amgen Inc | 2D 3D TSV |
16950620 | 36 | N',2-diphenylquinoline-4-carbohydrazide based NK3 receptor antagonists. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 5778-83 (2006) | Johnson & Johnson Pharmaceutical | 2D 3D TSV |
16949283 | 14 | Naphtho[2,3-b][1,4]-thiazine-5,10-diones and 3-substituted-1,4-dioxo-1,4-dihydronaphthalen-2-yl-thioalkanoate derivatives: synthesis and biological evaluation as potential antibacterial and antifungal agents. | Bioorg Med Chem Lett 16: 5883-7 (2006) | Lucknow University | 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. | Bioorg Med Chem Lett 16: 5793-6 (2006) | Kobe Gakuin University | 2D 3D TSV |
16945534 | 7 | p38 MAP kinase inhibitors. Part 5: discovery of an orally bio-available and highly efficacious compound based on the 7-amino-naphthyridone scaffold. | Bioorg Med Chem Lett 16: 5468-71 (2006) | Merck Research Laboratories | 2D 3D TSV |
16945533 | 33 | p38 MAP kinase inhibitors. Part 6: 2-arylpyridazin-3-ones as templates for inhibitor design. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 5892-6 (2006) | GlaxoSmithKline | 2D 3D TSV |
16942878 | 8 | Discovery and synthesis of tetrahydroindolone-derived carbamates as Kv1.5 blockers. | 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. | Bioorg Med Chem Lett 16: 5646-9 (2006) | Johnson and Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16942874 | 10 | Discovery and synthesis of tetrahydroindolone derived semicarbazones as selective Kv1.5 blockers. | 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. | Bioorg Med Chem Lett 16: 5610-5 (2006) | Universit£ di Milano | 2D 3D TSV |
16942871 | 38 | Potent, selective pyrimidinetrione-based inhibitors of MMP-13. | Bioorg Med Chem Lett 16: 5822-6 (2006) | Pfizer Inc | 2D 3D TSV |
16942040 | 12 | New opioid designed multiple ligand from Dmt-Tic and morphinan pharmacophores. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 5562-70 (2006) | Instituto de Química Médica (CSIC) | 2D 3D TSV |
16942027 | 69 | Carbonic anhydrase inhibitors: Hypoxia-activatable sulfonamides incorporating disulfide bonds that target the tumor-associated isoform IX. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Mol Biol 362: 994-1003 (2006) | University of Leeds | 2D 3D TSV |
16934977 | 16 | Epibatidine isomers and analogues: structure-activity relationships. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 5513-6 (2006) | GlaxoSmithKline | 2D 3D TSV |
16933872 | 5 | Biological activities and 3D QSAR studies of a series of Delisea pulchra (cf. fimbriata) derived natural products. | J Nat Prod 69: 1180-7 (2006) | Australian Institute of Marine Science | 2D 3D TSV |
16931332 | 49 | Chemical probes of UDP-galactopyranose mutase. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 5488-92 (2006) | GNF | 2D 3D TSV |
16931010 | 44 | Inhibitory effect of carboxylic acid group on hERG binding. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 5691-4 (2006) | Eli Lilly and Company | 2D 3D TSV |
16931004 | 29 | Pyridone derivatives as potent, orally bioavailable VLA-4 integrin antagonists. | Bioorg Med Chem Lett 16: 5538-41 (2006) | GlaxoSmithKline | 2D 3D TSV |
16931002 | 73 | Discovery of orally active butyrolactam 11beta-HSD1 inhibitors. | 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. | Bioorg Med Chem Lett 16: 5695-9 (2006) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
16921367 | 19 | Histone deacetylase inhibitors reverse gene silencing in Friedreich's ataxia. | Nat Chem Biol 2: 551-8 (2006) | The Scripps Research Institute | 2D 3D TSV |
16920357 | 2 | Design of inhibitors against guanase: synthesis and biochemical evaluation of analogues of azepinomycin. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 5373-7 (2006) | Merck Research Laboratories | 2D 3D TSV |
16919456 | 61 | 2-Aminoquinoline melanin-concentrating hormone (MCH)1R antagonists. | 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. | Bioorg Med Chem Lett 16: 5650-3 (2006) | Chulalongkorn University | 2D 3D TSV |
16919453 | 100 | 4-Aminoquinoline melanin-concentrating hormone 1-receptor (MCH1R) antagonists. | 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. | J Biol Chem 281: 32784-95 (2006) | Incyte Corporation | 2D 3D TSV |
16915381 | 31 | WAY-100635 is a potent dopamine D4 receptor agonist. | 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. | 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. | 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. | 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. | J Med Chem 49: 5339-51 (2006) | Instituto de Química Médica (CSIC) | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 5217-25 (2006) | Virginia Commonwealth University | 2D 3D TSV |
16913709 | 1 | Calcium channel antagonists discovered by a multidisciplinary approach. | J Med Chem 49: 5206-16 (2006) | Universit£ degli Studi di Perugia | 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. | 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. | 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. | 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. | 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). | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 4987-93 (2006) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
16908134 | 98 | Peptidyl-urea based inhibitors of soluble epoxide hydrolases. | 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. | 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. | Bioorg Med Chem Lett 16: 5018-21 (2006) | University of Kentucky | 2D 3D TSV |
16904318 | 35 | Novel benzimidazole-based MCH R1 antagonists. | Bioorg Med Chem Lett 16: 4994-5000 (2006) | GlaxoSmithKline | 2D 3D TSV |
16904316 | 16 | New, potent P1/P2-morpholinone-based HIV-protease inhibitors. | 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. | 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. | 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. | 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. | ChemMedChem 1: 130-9 (2006) | Università 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. | ChemMedChem 1: 106-17 (2006) | Philipps-Universität Marburg | 2D 3D TSV |
16892341 | 8 | Selective indole-based ECE inhibitors: synthesis and pharmacological evaluation. | 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. | Bioorg Med Chem Lett 16: 5041-6 (2006) | Washington University | 2D 3D TSV |
16890436 | 3 | Aza-stilbenes as potent and selective c-RAF inhibitors. | 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. | 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. | Bioorg Med Chem Lett 16: 5384-8 (2006) | Universit£ di Siena | 2D 3D TSV |
16890431 | 2 | Synthesis of highly substituted dibenzo[b,f]azocines and their evaluation as protein kinase inhibitors. | Bioorg Med Chem Lett 16: 5360-3 (2006) | St. Jude Children's Research Hospital | 2D 3D TSV |
16890427 | 81 | Synthesis and structural activity relationship of 11beta-HSD1 inhibitors with novel adamantane replacements. | Bioorg Med Chem Lett 16: 5408-13 (2006) | Abbott Laboratories | 2D 3D TSV |
16889963 | 3 | The molecular basis for the selection of captopril cis and trans conformations by angiotensin I converting enzyme. | Bioorg Med Chem Lett 16: 5084-7 (2006) | MRC Laboratory of Molecular Biology, Hills Road, Cambridge, CB2 2QH, UK. | 2D 3D TSV |
16889961 | 27 | Novel aminobenzimidazoles as selective MCH-R1 antagonists for the treatment of metabolic diseases. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 4981-91 (2006) | Amgen Inc | 2D 3D TSV |
16884309 | 5 | Synthesis, crystal structure, structure-activity relationships, and antiviral activity of a potent SARS coronavirus 3CL protease inhibitor. | 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. | 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. | 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. | 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. | J Med Chem 49: 4871-8 (2006) | University of Bonn | 2D 3D TSV |
16884297 | 2 | Inhibition of kinesin motor proteins by adociasulfate-2. | 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. | J Med Chem 49: 4834-41 (2006) | University of Pittsburgh | 2D 3D TSV |
16884291 | 12 | Highly potent and selective histone deacetylase 6 inhibitors designed based on a small-molecular substrate. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 5057-61 (2006) | Eli Lilly and Company | 2D 3D TSV |
16879962 | 36 | Identification of potent agonists of photoreceptor-specific nuclear receptor (NR2E3) and preparation of a radioligand. | 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. | 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. | Bioorg Med Chem Lett 16: 5231-7 (2006) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16876411 | 17 | Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 5203-6 (2006) | Eli Lilly and Company | 2D 3D TSV |
16872154 | 2 | Phenanthroquinolizidine alkaloids from the roots of Boehmeria pannosa potently inhibit hypoxia-inducible factor-1 in AGS human gastric cancer cells. | J Nat Prod 69: 1095-7 (2006) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
16872152 | 5 | An apigenin-derived xanthine oxidase inhibitor from Palhinhaea cernua. | J Nat Prod 69: 1089-91 (2006) | Nanjing University | 2D 3D TSV |
16872146 | 4 | Antibiotic bisanthraquinones produced by a streptomycete isolated from a cyanobacterium associated with Ecteinascidia turbinata. | J Nat Prod 69: 1070-3 (2006) | University of Rhode Island | 2D 3D TSV |
16872138 | 2 | Chemokine receptor CCR-5 inhibitors produced by Chaetomium globosum. | J Nat Prod 69: 1025-8 (2006) | Schering-Plough Research Institute | 2D 3D TSV |
16872137 | 5 | Biphenyl glycosides from the fruit of Pyracantha fortuneana. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 5176-82 (2006) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
16870433 | 4 | Tubulin polymerization inhibitors with a fluorinated phthalimide skeleton derived from thalidomide. | Bioorg Med Chem Lett 16: 4748-51 (2006) | The University of Tokyo | 2D 3D TSV |
16870432 | 22 | The discovery and optimization of pyrimidinone-containing MCH R1 antagonists. | 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. | 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)). | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 4762-6 (2006) | FMC Stine 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. | 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. | 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. | 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. | J Med Chem 49: 4657-64 (2006) | Paris-Sud University | 2D 3D TSV |
16854070 | 12 | Fatty acid amide hydrolase inhibitors from virtual screening of the endocannabinoid system. | 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. | J Med Chem 49: 4638-49 (2006) | CNRS | 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. | 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. | 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. | 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. | 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). | 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. | 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. | J Med Chem 49: 4512-6 (2006) | Vrije Universiteit Amsterdam | 2D 3D TSV |
16854055 | 13 | Simplified cyclic analogues of bastadin-5. Structure-activity relationships for modulation of the RyR1/FKBP12 Ca2+ channel complex. | J Med Chem 49: 4497-511 (2006) | University of California | 2D 3D TSV |
16854054 | 30 | Novel sst2-selective somatostatin agonists. Three-dimensional consensus structure by NMR. | 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. | 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. | 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. | J Med Chem 49: 4455-8 (2006) | Abbott Laboratories | 2D 3D TSV |
16852171 | 6 | Complexation of adamantyl compounds by beta-cyclodextrin and monoaminoderivatives. | 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. | Bioorg Med Chem 14: 7241-57 (2006) | ENSCMu | 2D 3D TSV |
16844377 | 40 | New spiro-piperidines as 5-HT2B receptor antagonists. | 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. | 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. | 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. | 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). | Bioorg Med Chem Lett 16: 4792-5 (2006) | AstraZeneca R & D M£lndal | 2D 3D TSV |
16839763 | 27 | Discovery of potent and stable conformationally constrained analogues of the MCH R1 antagonist SB-568849. | Bioorg Med Chem Lett 16: 4872-8 (2006) | GlaxoSmithKline | 2D 3D TSV |
16839761 | 39 | SAR of biphenyl carboxamide ligands of the human melanin-concentrating hormone receptor 1 (MCH R1): discovery of antagonist SB-568849. | Bioorg Med Chem Lett 16: 4865-71 (2006) | GlaxoSmithKline | 2D 3D TSV |
16837197 | 14 | Replacing the cyclohexene-linker of FR181157 leading to novel IP receptor agonists: orally active prostacyclin mimetics. Part 6. | 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). | 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. | 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. | 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. | 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. | 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. | 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. | J Comb Chem 8: 480-90 (2006) | Darmstadt Technical University | 2D 3D TSV |
16824760 | 22 | Himbacine derived thrombin receptor (PAR-1) antagonists: structure-activity relationship of the lactone ring. | 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. | Bioorg Med Chem Lett 16: 4898-907 (2006) | Seoul National University | 2D 3D TSV |
16824757 | 67 | Propionylpiperazines as human melanocortin-4 receptor ligands. | 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. | Bioorg Med Chem Lett 16: 4834-8 (2006) | Pfizer Inc | 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. | Bioorg Med Chem Lett 16: 4922-30 (2006) | Neurocrine Biosciences Inc | 2D 3D TSV |
16824753 | 59 | Tetrahydroisoquinolines as MCH-R1 antagonists. | 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. | 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. | 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. | J Med Chem 49: 4425-36 (2006) | Pfizer Inc | 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. | J Med Chem 49: 4409-24 (2006) | Pfizer Inc | 2D 3D TSV |
16821798 | 62 | A new synthesis of sulfonamides by aminolysis of p-nitrophenylsulfonates yielding potent and selective adenosine A2B receptor antagonists. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 4269-74 (2006) | Purdue University | 2D 3D TSV |
16821785 | 74 | Docking and three-dimensional quantitative structure-activity relationship (3D QSAR) analyses of nonsteroidal progesterone receptor ligands. | J Med Chem 49: 4261-8 (2006) | Scientific Computing Ltd. | 2D 3D TSV |
16821784 | 10 | From ligand to complexes: inhibition of human immunodeficiency virus type 1 integrase by beta-diketo acid metal complexes. | 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 no | 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. | J Med Chem 49: 4216-31 (2006) | GlaxoSmithKline | 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. | J Med Chem 49: 4208-15 (2006) | Universit£ di Perugia | 2D 3D TSV |
16821778 | 80 | Acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 4048-51 (2006) | Chinese Academy of Sciences | 2D 3D TSV |
16821764 | 54 | Discovery of novel triazole-based opioid receptor antagonists. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Pharmacol Exp Ther 319: 277-84 (2006) | Queen's University | 2D 3D TSV |
16806922 | 126 | Modification of the clozapine structure by parallel synthesis. | Bioorg Med Chem Lett 16: 4548-53 (2006) | Schering-Plough Research Institute | 2D 3D TSV |
16806920 | 32 | Monocyclic thiophenes as protein tyrosine phosphatase 1B inhibitors: capturing interactions with Asp48. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 4533-6 (2006) | GlaxoSmithKline | 2D 3D TSV |
16797988 | 4 | Synthesis of a red-shifted fluorescence polarization probe for Hsp90. | 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. | 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. | 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). | 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. | Bioorg Med Chem Lett 16: 4629-32 (2006) | Procter & Gamble Pharmaceuticals | 2D 3D TSV |
16793264 | 13 | Potent 4-amino-5-azaindole factor VIIa inhibitors. | Bioorg Med Chem Lett 16: 4567-70 (2006) | Celera Genomics | 2D 3D TSV |
16792418 | 3 | Biotransformation of (-)-ambrox by cell suspension cultures of Actinidia deliciosa. | J Nat Prod 69: 957-9 (2006) | University of Karachi | 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. | J Nat Prod 69: 945-9 (2006) | Sapienza University of Rome | 2D 3D TSV |
16792410 | 48 | Synthesis of salvinorin A analogues as opioid receptor probes. | 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. | 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. | 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. | J Med Chem 49: 3982-9 (2006) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
16789754 | 4 | Structural studies on bioactive compounds. 40.(1) Synthesis and biological properties of fluoro-, methoxyl-, and amino-substituted 3-phenyl-4H-1-benzopyran-4-ones and a comparison of their antitumor activities with the activities of related 2-phenylbenzothiazoles. | J Med Chem 49: 3973-81 (2006) | University of Nottingham | 2D 3D TSV |
16789752 | 6 | Activation of murine RNase L by isopolar 2'-phosphonate analogues of 2',5' oligoadenylates. | 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. | 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. | 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. | J Med Chem 49: 3916-25 (2006) | Università di Firenze | 2D 3D TSV |
16789746 | 9 | Synthesis and biological evaluation of 2-amino-3-(3',4',5'-trimethoxybenzoyl)-5-aryl thiophenes as a new class of potent antitubulin agents. | J Med Chem 49: 3906-15 (2006) | Universit£ di Ferrara | 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. | 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. | 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. | 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. | J Med Chem 49: 3809-25 (2006) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
16789737 | 1 | Synthesis, molecular characterization, and biological activity of novel synthetic derivatives of chromen-4-one in human cancer cells. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 4633-7 (2006) | Pfizer Inc | 2D 3D TSV |
16782335 | 18 | Benzimidazole-2-carboxamides as novel NR2B selective NMDA receptor antagonists. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 4420-3 (2006) | Purdue University | 2D 3D TSV |
16777413 | 65 | Arylpropionylpiperazines as antagonists of the human melanocortin-4 receptor. | 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). | 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. | Bioorg Med Chem Lett 16: 4686-91 (2006) | GlaxoSmithKline | 2D 3D TSV |
16777408 | 89 | Triazolo-tetrahydrofluorenones as selective estrogen receptor beta agonists. | 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. | 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. | Nat Chem Biol 2: 381-9 (2006) | University of California | 2D 3D TSV |
16767085 | 2 | Small molecule-based reversible reprogramming of cellular lifespan. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3998-4001 (2006) | Pierre Fabre Urologie | 2D 3D TSV |
16765047 | 23 | Aryloxyethylamines: binding at alpha7 nicotinic acetylcholine receptors. | 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. | 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. | Bioorg Med Chem Lett 16: 4321-5 (2006) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16762549 | 53 | Substituted chromones and quinolones as potent melanin-concentrating hormone receptor 1 antagonists. | 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. | Bioorg Med Chem Lett 16: 4305-10 (2006) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16759861 | 76 | Structure-activity relationships of triazolopyridine oxazole p38 inhibitors: identification of candidates for clinical development. | Bioorg Med Chem Lett 16: 4339-44 (2006) | Pfizer Inc | 2D 3D TSV |
16759860 | 14 | Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of N,N'-bis[2-oxo-2H-benzopyran]-3-carboxamides. | Bioorg Med Chem Lett 16: 4135-40 (2006) | Universit£ degli Studi di Roma La Sapienza | 2D 3D TSV |
16759857 | 59 | Design and synthesis of potent, non-peptidic inhibitors of HPTPbeta. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 3581-94 (2006) | Pfizer Inc | 2D 3D TSV |
16759099 | 130 | Aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity. | 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). | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 4311-5 (2006) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16757169 | 26 | The development of novel 1,2-dihydro-pyrimido[4,5-c]pyridazine based inhibitors of lymphocyte specific kinase (Lck). | 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. | 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. | Bioorg Med Chem Lett 16: 4262-5 (2006) | Schering-Plough Research Institute | 2D 3D TSV |
16753296 | 25 | Discovery of potent CRTh2 (DP2) receptor antagonists. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 4376-80 (2006) | The Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
16750367 | 2 | The development of novel C-2, C-8, and N-9 trisubstituted purines as inhibitors of TNF-alpha production. | Bioorg Med Chem Lett 16: 4360-5 (2006) | Procter and Gamble Pharmaceuticals | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 4349-53 (2006) | Pfizer Inc | 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)). | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 4345-8 (2006) | Pfizer Inc | 2D 3D TSV |
16737814 | 112 | Structure-based design of indole propionic acids as novel PPARalpha/gamma co-agonists. | Bioorg Med Chem Lett 16: 4016-20 (2006) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16735511 | 9 | Multiple conformations of phosphodiesterase-5: implications for enzyme function and drug development. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3906-12 (2006) | GlaxoSmithKline | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3927-31 (2006) | Wyeth Research | 2D 3D TSV |
16723227 | 5 | Synthesis, enzymatic inhibition, and cancer cell growth inhibition of novel delta-lactam-based histone deacetylase (HDAC) inhibitors. | Bioorg Med Chem Lett 16: 4068-70 (2006) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
16723226 | 8 | Design, synthesis, and biological evaluation of novel tricyclic HIV-1 integrase inhibitors by modification of its pyridine ring. | Bioorg Med Chem Lett 16: 3985-8 (2006) | Gilead Sciences Inc | 2D 3D TSV |
16723225 | 13 | Design, synthesis, and SAR studies of novel and highly active tri-cyclic HIV integrase inhibitors. | Bioorg Med Chem Lett 16: 3989-92 (2006) | Gilead Sciences Inc | 2D 3D TSV |
16723224 | 26 | Design and synthesis of selective alpha1B adrenoceptor antagonists. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 3362-7 (2006) | Pfizer Inc | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 3185-203 (2006) | National Cancer Institute-Frederick | 2D 3D TSV |
16722635 | 27 | New ligands with affinity for the alpha4beta2 subtype of nicotinic acetylcholine receptors. Synthesis, receptor binding, and 3D-QSAR modeling. | J Med Chem 49: 3159-71 (2006) | NeuroSearch A/S | 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. | 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. | 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. | 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. | J Med Chem 49: 3068-76 (2006) | Pfizer Inc | 2D 3D TSV |
16722625 | 22 | Novel peptidomimetic cysteine protease inhibitors as potential antimalarial agents. | 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. | 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. | J Med Chem 49: 3052-5 (2006) | Wyeth Research | 2D 3D TSV |
16722621 | 3 | New potent P-glycoprotein inhibitors carrying a polycyclic scaffold. | 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. | Bioorg Med Chem Lett 16: 4031-5 (2006) | Gilead Sciences Inc | 2D 3D TSV |
16716588 | 9 | A gatekeeper residue for inhibitor sensitization of protein tyrosine phosphatases. | Bioorg Med Chem Lett 16: 4002-6 (2006) | Amherst College | 2D 3D TSV |
16714110 | 12 | Synthesis and biological activity of nociceptin/orphanin FQ(1-13)NH2 analogues modified in 9 and/or 13 position. | Bioorg Med Chem Lett 16: 4071-4 (2006) | University of Chemical Technology and Metallurgy | 2D 3D TSV |
16714109 | 40 | Design of novel, potent, and selective human beta-tryptase inhibitors based on alpha-keto-[1,2,4]-oxadiazoles. | 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. | 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. | Bioorg Med Chem Lett 16: 4021-5 (2006) | Università degli Studi di Parma | 2D 3D TSV |
16713264 | 30 | Dibasic non-imidazole histamine H3 receptor antagonists with a rigid biphenyl scaffold. | Bioorg Med Chem Lett 16: 4063-7 (2006) | Universit£ degli Studi di Parma | 2D 3D TSV |
16713261 | 6 | Identification of metabolites of the tryptase inhibitor CRA-9249: observation of a metabolite derived from an unexpected hydroxylation pathway. | Bioorg Med Chem Lett 16: 4053-8 (2006) | Celera Genomics | 2D 3D TSV |
16713259 | 30 | Substituted N-(2-aminophenyl)-benzamides, (E)-N-(2-aminophenyl)-acrylamides and their analogues: novel classes of histone deacetylase inhibitors. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3843-6 (2006) | Eli Lilly and Company | 2D 3D TSV |
16690725 | 29 | Pharmacological characterization of the competitive GLUK5 receptor antagonist decahydroisoquinoline LY466195 in vitro and in vivo. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 2898-908 (2006) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
16686532 | 27 | NO-donor phenols: a new class of products endowed with antioxidant and vasodilator properties. | 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. | 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. | J Med Chem 49: 2868-75 (2006) | University of Arizona Tucson | 2D 3D TSV |
16686529 | 37 | 2,6-disubstituted and 2,6,8-trisubstituted purines as adenosine receptor antagonists. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3755-60 (2006) | Bristol-Myers Squibb Co. | 2D 3D TSV |
16682198 | 4 | Synthesis of a potential photoactivatable anandamide analog. | Bioorg Med Chem Lett 16: 3765-8 (2006) | University of Montpellier | 2D 3D TSV |
16682196 | 19 | Cyclobutane derivatives as potent NK1 selective antagonists. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Biochemistry 45: 5964-73 (2006) | Celera | 2D 3D TSV |
16678415 | 21 | Design of cyclic peptides with agonist activity at melanocortin receptor-4. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3415-8 (2006) | Eli Lilly and Company | 2D 3D TSV |
16677813 | 12 | Design, synthesis and evaluation of novel uracil amino acid conjugates for the inhibition of Trypanosoma cruzi dUTPase. | 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. | Bioorg Med Chem Lett 16: 3406-10 (2006) | University of Montpellier | 2D 3D TSV |
16677001 | 16 | Strategy for discovering chemical inhibitors of human cyclophilin a: focused library design, virtual screening, chemical synthesis and bioassay. | J Comb Chem 8: 326-37 (2006) | East China Univesity of Science and Technology | 2D 3D TSV |
16675639 | 28 | Desvenlafaxine succinate: A new serotonin and norepinephrine reuptake inhibitor. | 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. | Bioorg Med Chem Lett 16: 3780-3 (2006) | Syntrix Biosytems | 2D 3D TSV |
16660197 | 2 | Inhibition of chloroplast electron transport reactions by trifluralin and diallate. | Plant Physiol 60: 840-4 (1977) | The University of Michigan | 2D 3D TSV |
16650987 | 10 | Efforts toward oral bioavailability in factor VIIa inhibitors. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3449-53 (2006) | Eli Lilly and Company | 2D 3D TSV |
16650762 | 30 | Synthesis and SAR of 1,3-disubstituted cyclohexylmethyl urea and amide derivatives as non-peptidic motilin receptor antagonists. | 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. | 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. | Bioorg Med Chem Lett 16: 3463-8 (2006) | Johnson & Johnson Pharmaceutical | 2D 3D TSV |
16647256 | 16 | Dipeptidyl nitriles as human dipeptidyl peptidase I inhibitors. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Nat Prod 69: 707-9 (2006) | MerLion Pharmaceuticals Pte Ltd | 2D 3D TSV |
16643058 | 7 | Interference by naturally occurring fatty acids in a noncellular enzyme-based aromatase bioassay. | J Nat Prod 69: 700-3 (2006) | University of Illinois at Chicago | 2D 3D TSV |
16643034 | 13 | Vanillic acid glycoside and quinic acid derivatives from Gardeniae Fructus. | J Nat Prod 69: 600-3 (2006) | Korea Institute of Science and Technology | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 2784-93 (2006) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
16640337 | 47 | Biarylaniline phenethanolamines as potent and selective beta3 adrenergic receptor agonists. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 2681-8 (2006) | Kyoto University | 2D 3D TSV |
16640326 | 104 | Synthesis and pharmacological evaluation of novel 9- and 10-substituted cytisine derivatives. Nicotinic ligands of enhanced subtype selectivity. | J Med Chem 49: 2673-6 (2006) | University of Illinois at Chicago | 2D 3D TSV |
16640325 | 41 | Design, synthesis, and progress toward optimization of potent small molecule antagonists of CC chemokine receptor 8 (CCR8). | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3444-8 (2006) | Pfizer Inc | 2D 3D TSV |
16632358 | 68 | Synthesis and SAR of alpha-sulfonylcarboxylic acids as potent matrix metalloproteinase inhibitors. | Bioorg Med Chem Lett 16: 3096-100 (2006) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16632357 | 89 | The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands. | 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. | 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. | Bioorg Med Chem Lett 16: 3524-8 (2006) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16632354 | 61 | A new class of selective, non-basic 5-HT2A receptor antagonists. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3115-20 (2006) | Johnson & Johnson Pharmaceutical | 2D 3D TSV |
16630721 | 57 | Development of lipopeptides for inhibiting 20S proteasomes. | 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. | 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. | Bioorg Med Chem 14: 5357-69 (2006) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16621571 | 29 | Structure-activity studies of a novel series of 5,6-fused heteroaromatic ureas as TRPV1 antagonists. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3479-83 (2006) | Gilead Sciences Inc | 2D 3D TSV |
16621549 | 40 | Novel 5-azaindole factor VIIa inhibitors. | 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. | Bioorg Med Chem Lett 16: 3569-73 (2006) | Banyu Tsukuba Research Institute | 2D 3D TSV |
16621545 | 6 | Synthesis of Hsp90 dimerization modulators. | 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. | 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. | 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). | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3073-7 (2006) | Neuroscience Research Centre | 2D 3D TSV |
16616495 | 28 | Novel alkylpolyaminoguanidines and alkylpolyaminobiguanides with potent antitrypanosomal activity. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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". | 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. | J Med Chem 49: 2440-55 (2006) | Bristol-Myers Squibb Co. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3233-7 (2006) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16603352 | 89 | Design and structure-activity relationship of 3-benzimidazol-2-yl-1H-indazoles as inhibitors of receptor tyrosine kinases. | 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. | 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. | 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. | Org Lett 8: 1729-32 (2006) | The Scripps Research Institute | 2D 3D TSV |
16584130 | 95 | Selectivity and potency of cyclin-dependent kinase inhibitors. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3287-91 (2006) | GSK | 2D 3D TSV |
16580201 | 4 | Diarylacetylene piperidinyl amides as novel anxiolytics. | 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. | 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. | Bioorg Med Chem Lett 16: 3282-6 (2006) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16574416 | 10 | Identification of chemically diverse Chk1 inhibitors by receptor-based virtual screening. | Bioorg Med Chem 14: 4792-802 (2006) | Vernalis (R&D) Ltd | 2D 3D TSV |
16574413 | 28 | NK1 antagonists based on seven membered lactam scaffolds. | 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. | 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. | 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. | J Med Chem 49: 2333-8 (2006) | University of Piemonte Orientale | 2D 3D TSV |
16570928 | 16 | Development of the first potential covalent inhibitors of anandamide cellular uptake. | 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. | 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. | 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. | J Med Chem 49: 2253-61 (2006) | James Black Foundation | 2D 3D TSV |
16570919 | 60 | Novel potent and efficacious nonpeptidic urotensin II receptor agonists. | J Med Chem 49: 2232-40 (2006) | G£teborg University | 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. | 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. | J Med Chem 49: 2210-21 (2006) | GlaxoSmithKline | 2D 3D TSV |
16570914 | 32 | Identification of potent and selective inhibitors of PDGF receptor autophosphorylation. | 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. | 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. | 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. | 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. | 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. | Nat Chem Biol 2: 265-73 (2006) | Dana-Farber Cancer Institute Inc | 2D 3D TSV |
16563764 | 100 | Synthesis and biological investigations of dopaminergic partial agonists preferentially recognizing the D4 receptor subtype. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2920-4 (2006) | Bristol-Myers Squibb Co. | 2D 3D TSV |
16546382 | 100 | Keto-1,3,4-oxadiazoles as cathepsin K inhibitors. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 2138-42 (2006) | Eli Lilly and Company | 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. | 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. | 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. | 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. | J Med Chem 49: 2037-48 (2006) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
16539391 | 21 | Branched diacylglycerol-lactones as potent protein kinase C ligands and alpha-secretase activators. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 1939-45 (2006) | Sapienza University of Rome | 2D 3D TSV |
16539379 | 95 | Highly chiral muscarinic ligands: the discovery of (2S,2'R,3'S,5'R)-1-methyl-2-(2-methyl-1,3-oxathiolan-5-yl)pyrrolidine 3-sulfoxide methyl iodide, a potent, functionally selective, M2 partial agonist. | J Med Chem 49: 1925-31 (2006) | Universit£ di Firenze | 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. | 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. | 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. | 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. | J Am Chem Soc 128: 3524-5 (2006) | University of Illinois at Urbana-Champaign | 2D 3D TSV |
16532013 | 19 | Functional characterization of IRESes by an inhibitor of the RNA helicase eIF4A. | Nat Chem Biol 2: 213-20 (2006) | McGill University | 2D 3D TSV |
16530804 | 4 | 3-Amidoquinuclidine derivatives: synthesis of compounds and inhibition of butyrylcholinesterase. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 3043-8 (2006) | Merck Frosst Canada & Co. | 2D 3D TSV |
16529929 | 55 | 5-Piperazinyl pyridine carboxamide bradykinin B1 antagonists. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2689-92 (2006) | Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
16524729 | 72 | Identification and characterization of amino-piperidinequinolones and quinazolinones as MCHr1 antagonists. | 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. | 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. | 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. | J Biol Chem 281: 12445-50 (2006) | Duke University Medical Center | 2D 3D TSV |
16517161 | 20 | Synthesis and SAR studies of diarylpyrrole anticoccidial agents. | 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. | 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. | Bioorg Med Chem Lett 16: 2672-6 (2006) | AstraZeneca | 2D 3D TSV |
16516472 | 22 | Synthesis and in vitro evaluation of N-substituted aza-trozamicol analogs as vesicular acetylcholine transporter ligands. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2682-4 (2006) | Seoul National University | 2D 3D TSV |
16513345 | 45 | Vasorelaxant activity of phthalazinones and related compounds. | 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. | 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. | J Med Chem 49: 1828-32 (2006) | Uppsala University | 2D 3D TSV |
16509597 | 64 | Stereochemical sensitivity of the human UDP-glucuronosyltransferases 2B7 and 2B17. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 1668-83 (2006) | University of Alberta | 2D 3D TSV |
16509582 | 2 | Discovery of protein phosphatase 2C inhibitors by virtual screening. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2710-3 (2006) | Zhengzhou University | 2D 3D TSV |
16504502 | 8 | Synthesis of phospholipase A2 inhibitory biflavonoids. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2748-52 (2006) | MRL Rome | 2D 3D TSV |
16503138 | 15 | Discovery of novel biaryl heterocyclic EP1 receptor antagonists. | 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. | Bioorg Med Chem Lett 16: 2719-23 (2006) | Central Drug Research Institute | 2D 3D TSV |
16499324 | 2 | Bioactive compounds from Peperomia pellucida. | 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. | 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. | 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. | 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. | 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. | 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. | Chem Biol 13: 201-11 (2006) | Cyclacel Ltd | 2D 3D TSV |
16492149 | 16 | Structure-based optimization of MurF inhibitors. | 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. | Chem Biol Drug Des 67: 46-57 (2006) | ARIAD Pharmaceuticals Inc | 2D 3D TSV |
16487705 | 107 | N6-ethyl-2-alkynyl NECAs, selective human A3 adenosine receptor agonists. | 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. | Bioorg Med Chem Lett 16: 2796-9 (2006) | Celera Genomics | 2D 3D TSV |
16483774 | 66 | Identification of potent phenyl imidazoles as opioid receptor agonists. | 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. | Bioorg Med Chem Lett 16: 2539-42 (2006) | UCB Pharma SA | 2D 3D TSV |
16483772 | 52 | Alkynyl pyrimidines as dual EGFR/ErbB2 kinase inhibitors. | Bioorg Med Chem Lett 16: 2419-22 (2006) | GlaxoSmithKline | 2D 3D TSV |
16483771 | 5 | Isoquinoline derivatives as potential acetylcholinesterase inhibitors. | Bioorg Med Chem Lett 16: 2170-2 (2006) | Naresuan University | 2D 3D TSV |
16483769 | 15 | Low molecular weight indole fragments as IMPDH inhibitors. | Bioorg Med Chem Lett 16: 2535-8 (2006) | UCB Pharma SA | 2D 3D TSV |
16481167 | 8 | Design and synthesis of potent beta-secretase (BACE1) inhibitors with P1' carboxylic acid bioisosteres. | 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. | 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. | Bioorg Med Chem Lett 16: 2467-9 (2006) | NPS Pharmaceuticals Inc | 2D 3D TSV |
16481162 | 17 | Fluorescent glycosidase inhibiting 1,5-dideoxy-1,5-iminoalditols. | 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. | Bioorg Med Chem Lett 16: 2500-4 (2006) | Pfizer Inc | 2D 3D TSV |
16480871 | 12 | Design and synthesis of novel HIV-1 protease inhibitors incorporating oxyindoles as the P2'-ligands. | 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. | Bioorg Med Chem Lett 16: 2532-4 (2006) | Wyeth Research | 2D 3D TSV |
16480867 | 49 | Dipeptide nitrile inhibitors of cathepsin K. | Bioorg Med Chem Lett 16: 2549-54 (2006) | Novartis Pharmaceuticals | 2D 3D TSV |
16480864 | 38 | 4-Amino derivatives of the Hsp90 inhibitor CCT018159. | 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. | J Med Chem 49: 1475-85 (2006) | Pfizer Inc | 2D 3D TSV |
16480282 | 23 | Hybrid antibacterials. DNA polymerase-topoisomerase inhibitors. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 1325-45 (2006) | University of Bath | 2D 3D TSV |
16480267 | 3 | Vitamin D receptor: ligand recognition and allosteric network. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 1231-4 (2006) | TBA | 2D 3D TSV |
16480258 | 22 | 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. | J Med Chem 49: 1227-30 (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. | J Med Chem 49: 1223-6 (2006) | TBA | 2D 3D TSV |
16476733 | 18 | Inhibition of S/G2 phase CDK4 reduces mitotic fidelity. | J Biol Chem 281: 9987-95 (2006) | University of Queensland | 2D 3D TSV |
16473009 | 23 | Synthesis and evaluation of succinoyl-caprolactam gamma-secretase inhibitors. | 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. | 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. | Bioorg Med Chem Lett 16: 2163-9 (2006) | Jacobus Pharmaceutical Company | 2D 3D TSV |
16466915 | 4 | Alpha-methylated derivatives of 2-arachidonoyl glycerol: synthesis, CB1 receptor activity, and enzymatic stability. | Bioorg Med Chem Lett 16: 2437-40 (2006) | University of Kuopio | 2D 3D TSV |
16466576 | 20 | Uncharged isocoumarin-based inhibitors of urokinase-type plasminogen activator. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2525-7 (2006) | Pfizer Inc | 2D 3D TSV |
16464579 | 36 | Substituted coumarins as potent 5-lipoxygenase inhibitors. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2200-4 (2006) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16460933 | 19 | Structure-guided identification of novel VEGFR-2 kinase inhibitors via solution phase parallel synthesis. | Bioorg Med Chem Lett 16: 2158-62 (2006) | Cephalon Inc | 2D 3D TSV |
16460932 | 27 | Discovery of novel heterocyclic factor VIIa inhibitors. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2095-100 (2006) | Bristol-Myers Squibb Co. | 2D 3D TSV |
16458510 | 59 | The SAR of 4-substituted (6,6-bicyclic) piperidine cathepsin S inhibitors. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2173-6 (2006) | Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
16458003 | 158 | QSAR study on topically acting sulfonamides incorporating GABA moieties: a molecular connectivity approach. | Bioorg Med Chem Lett 16: 2044-51 (2006) | A.P.S. University | 2D 3D TSV |
16455256 | 30 | Potent blockers of the monocarboxylate transporter MCT1: novel immunomodulatory compounds. | Bioorg Med Chem Lett 16: 2260-5 (2006) | AstraZeneca | 2D 3D TSV |
16455255 | 42 | 3D-QSAR studies of farnesyltransferase inhibitors: a comparative molecular field analysis approach. | Bioorg Med Chem Lett 16: 1821-7 (2006) | The M.S. University of Baroda | 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. | Bioorg Med Chem Lett 16: 2205-8 (2006) | GlaxoSmithKline | 2D 3D TSV |
16455252 | 72 | Benzimidazole inhibitors of hepatitis C virus NS5B polymerase: identification of 2-[(4-diarylmethoxy)phenyl]-benzimidazole. | Bioorg Med Chem Lett 16: 1859-63 (2006) | Central Pharmaceutical Research Institute | 2D 3D TSV |
16455251 | 11 | Factor VIIa inhibitors: improved pharmacokinetic parameters. | 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. | 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. | 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. | 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. | J Med Chem 49: 1202-6 (2006) | Pfizer Inc | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 1101-12 (2006) | University of California 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. | 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. | 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). | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 955-70 (2006) | AstraZeneca | 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. | 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. | 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. | 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. | J Med Chem 49: 900-10 (2006) | University of Montpellier | 2D 3D TSV |
16451055 | 2 | Amiodarone has intrinsic anti-Trypanosoma cruzi activity and acts synergistically with posaconazole. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 843-6 (2006) | Eli Lilly and Company | 2D 3D TSV |
16451048 | 7 | Aminoethylenes: a tetrahedral intermediate isostere yielding potent inhibitors of the aspartyl protease BACE-1. | J Med Chem 49: 839-42 (2006) | Sunesis | 2D 3D TSV |
16446092 | 41 | Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase. | 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. | 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. | 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. | 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. | Biochemistry 45: 1421-34 (2006) | Merck Research Laboratories | 2D 3D TSV |
16442794 | 95 | Discovery of highly selective EP4 receptor agonists that stimulate new bone formation and restore bone mass in ovariectomized rats. | Bioorg Med Chem Lett 16: 1799-802 (2006) | Pfizer Inc | 2D 3D TSV |
16442290 | 12 | Novel non-benzimidazole chk2 kinase inhibitors. | 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. | 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. | Bioorg Med Chem Lett 16: 1864-8 (2006) | Abbott Laboratories | 2D 3D TSV |
16441086 | 4 | Isoflavonoids with antiestrogenic activity from Millettia pachycarpa. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1834-9 (2006) | UCB Pharma SA | 2D 3D TSV |
16439120 | 28 | Arylmethoxypyridines as novel, potent and orally active mGlu5 receptor antagonists. | Bioorg Med Chem Lett 16: 1892-7 (2006) | F. Hoffman-La Roche Ltd | 2D 3D TSV |
16439116 | 41 | Synthesis and activity of small molecule GPR40 agonists. | Bioorg Med Chem Lett 16: 1840-5 (2006) | GlaxoSmithKline Research and Development | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1740-3 (2006) | ABC Pharma | 2D 3D TSV |
16426848 | 80 | Acetylenic TACE inhibitors. Part 3: Thiomorpholine sulfonamide hydroxamates. | 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. | 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. | J Med Chem 49: 811-6 (2006) | The University of Sydney | 2D 3D TSV |
16420064 | 35 | Aromatic sulfide inhibitors of histone deacetylase based on arylsulfinyl-2,4-hexadienoic acid hydroxyamides. | J Med Chem 49: 800-5 (2006) | University College London | 2D 3D TSV |
16420063 | 12 | Synthesis and biological evaluation of novel phenylcarbazoles as potential anticancer agents. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 567-74 (2006) | Schering-Plough Research Institute | 2D 3D TSV |
16420041 | 24 | 3D-QSAR studies on cannabinoid CB1 receptor agonists: G-protein activation as biological data. | J Med Chem 49: 554-66 (2006) | University of Kuopio | 2D 3D TSV |
16420039 | 5 | Classification of chemical compounds by protein-compound docking for use in designing a focused library. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 441-4 (2006) | Array BioPharma | 2D 3D TSV |
16415863 | 2 | Allosteric inhibitors of Bcr-abl-dependent cell proliferation. | 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. | Nat Chem Biol 2: 103-9 (2006) | Harvard University | 2D 3D TSV |
16413783 | 50 | Factor VIIa inhibitors: gaining selectivity within the trypsin family. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1969-74 (2006) | MolSoft LLC | 2D 3D TSV |
16413183 | 16 | Small molecule inhibitors of plasma kallikrein. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1643-6 (2006) | ImClone Systems | 2D 3D TSV |
16412635 | 4 | A novel series of urea-based peptidomimetic calpain inhibitors. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1995-9 (2006) | University of the Mediterranean | 2D 3D TSV |
16408092 | 2 | Allosteric control of an ionotropic glutamate receptor with an optical switch. | Nat Chem Biol 2: 47-52 (2006) | University of California Berkeley | 2D 3D TSV |
16408091 | 2 | Secramine inhibits Cdc42-dependent functions in cells and Cdc42 activation in vitro. | Nat Chem Biol 2: 39-46 (2006) | Harvard Medical School | 2D 3D TSV |
16408088 | 2 | Purmorphamine activates the Hedgehog pathway by targeting Smoothened. | 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. | Nat Chem Biol 1: 333-7 (2006) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
16408017 | 5 | Identification of a specific inhibitor of the histone methyltransferase SU(VAR)3-9. | Nat Chem Biol 1: 143-5 (2005) | Ludwig-Maximillians University of Munich | 2D 3D TSV |
16408016 | 6 | Assignment of protein function in the postgenomic era. | Nat Chem Biol 1: 130-42 (2006) | The Scripps Research Institute | 2D 3D TSV |
16408006 | 3 | Linking agonist binding to histamine H1 receptor activation. | 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. | 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. | 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. | 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. | 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. | J Biol Chem 281: 7102-9 (2006) | Estacion Experimental del Zaidin | 2D 3D TSV |
16407096 | 3 | Herbicide-binding sites revealed in the structure of plant acetohydroxyacid synthase. | Proc Natl Acad Sci U S A 103: 569-73 (2006) | University of Queensland | 2D 3D TSV |
16406782 | 9 | Brequinar derivatives and species-specific drug design for dihydroorotate dehydrogenase. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 256-62 (2006) | Harvard Medical School | 2D 3D TSV |
16392808 | 20 | Effect of polyamine homologation on the transport and biological properties of heterocyclic amidines. | J Med Chem 49: 232-45 (2006) | Universit£ Rennes 1 | 2D 3D TSV |
16392806 | 52 | Inhibition of Trypanosoma cruzi hexokinase by bisphosphonates. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 49: 27-30 (2006) | Burnham Institute | 2D 3D TSV |
16387499 | 15 | 6H,13H-Pyrazino[1,2-a;4,5-a']diindole analogs: probing the pharmacophore for allosteric ligands of muscarinic M2 receptors. | Bioorg Med Chem Lett 16: 1481-5 (2006) | University of W£rzburg | 2D 3D TSV |
16387495 | 8 | Depeptidization efforts on P3-P2' alpha-ketoamide inhibitors of HCV NS3-4A serine protease: effect on HCV replicon activity. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1518-22 (2006) | Merck Sharp and Dohme Research Laboratories | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1702-6 (2006) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16386418 | 15 | Arylphthalazines. Part 2: 1-(Isoquinolin-5-yl)-4-arylamino phthalazines as potent inhibitors of VEGF receptors I and II. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1716-20 (2006) | Genentech Inc | 2D 3D TSV |
16384700 | 24 | Novel lactam NK1 antagonists with anti-emetic activity. | 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). | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1696-701 (2006) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16380255 | 42 | Phenyl ureas of creatinine as mGluR5 antagonists. A structure-activity relationship study of fenobam analogues. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem 14: 2725-46 (2006) | Daiichi Pharmaceutical | 2D 3D TSV |
16377188 | 12 | Novel endotoxin-sequestering compounds with terephthalaldehyde-bis-guanylhydrazone scaffolds. | 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. | 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. | Bioorg Med Chem Lett 16: 1172-4 (2006) | Université de Haute-Alsace | 2D 3D TSV |
16376078 | 10 | New benzimidazoles as thrombopoietin receptor agonists. | Bioorg Med Chem Lett 16: 1212-6 (2006) | GlaxoSmithKline | 2D 3D TSV |
16376077 | 23 | Seco-prolinenitrile inhibitors of dipeptidyl peptidase IV define minimal pharmacophore requirements at P1. | 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. | 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. | Bioorg Med Chem Lett 16: 1735-9 (2006) | GlaxoSmithKline | 2D 3D TSV |
16372404 | 1 | Actin is the primary cellular receptor of bistramide A. | 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. | 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. | 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. | 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. | J Med Chem 48: 8289-98 (2005) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16366609 | 77 | Synthesis of tricyclic 1,3-oxazin-4-ones and kinetic analysis of cholesterol esterase and acetylcholinesterase inhibition. | 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. | 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. | 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). | 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. | 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. | J Med Chem 48: 8163-73 (2005) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16366596 | 18 | Binding of rasagiline-related inhibitors to human monoamine oxidases: a kinetic and crystallographic analysis. | 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. | 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). | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1749-52 (2006) | GlaxoSmithKline | 2D 3D TSV |
16364640 | 79 | 2-((1H-Azol-1-yl)methyl)-N-arylbenzamides: novel dual inhibitors of VEGFR-1/2 kinases. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1207-11 (2006) | F. Hoffmann-La Roche Inc | 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). | 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. | 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. | 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. | 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. | 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. | 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. | J Pharmacol Exp Ther 317: 147-52 (2006) | University of Tours | 2D 3D TSV |
16338239 | 26 | Thyroid receptor ligands. Part 5: novel bicyclic agonist ligands selective for the thyroid hormone receptor beta. | 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. | 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. | Bioorg Med Chem Lett 16: 1297-300 (2006) | University of Tours | 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. | Bioorg Med Chem Lett 16: 1272-6 (2006) | Achillion Pharmaceuticals Inc | 2D 3D TSV |
16337790 | 53 | Aminoalkyl phenyl sulfones--a novel series of 5-HT7 receptor ligands. | Bioorg Med Chem Lett 16: 1255-8 (2006) | Merck Sharp and Dohme Research Laboratories | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1342-5 (2006) | GlaxoSmithKline | 2D 3D TSV |
16335934 | 10 | A new class of HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold. | 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. | 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. | 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. | 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. | J Med Chem 48: 8045-54 (2005) | Elixir Pharmaceuticals | 2D 3D TSV |
16335927 | 48 | Potent Dmt-Tic pharmacophoric delta- and mu-opioid receptor antagonists. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1362-5 (2006) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16325402 | 15 | Design, synthesis, and structure-activity relationship of novel thiophene derivatives for beta-amyloid plaque imaging. | 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. | 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. | Bioorg Med Chem Lett 16: 1440-4 (2006) | Chemical Diversity Inc | 2D 3D TSV |
16321529 | 30 | Naphthofuroquinone derivatives: inhibition of receptor tyrosine kinases. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1405-9 (2006) | Santhera Pharmaceuticals | 2D 3D TSV |
16321523 | 15 | Sarcosine based indandione hGlyT1 inhibitors. | 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. | 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. | Bioorg Med Chem Lett 16: 1434-9 (2006) | Pfizer Inc | 2D 3D TSV |
16309909 | 54 | Structure-activity relationship study of 1,4-dihydropyridine derivatives blocking N-type calcium channels. | Bioorg Med Chem Lett 16: 798-802 (2006) | Ajinomoto company Inc. | 2D 3D TSV |
16309907 | 129 | Androstenediol analogs as ER-beta-selective SERMs. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 845-9 (2006) | Pfizer Inc | 2D 3D TSV |
16302826 | 129 | Discovery and development of a new class of potent, selective, orally active oxytocin receptor antagonists. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 48: 7789-95 (2005) | Sapienza University of Rome | 2D 3D TSV |
16302817 | 83 | Small molecule inhibitors of dynamin I GTPase activity: development of dimeric tyrphostins. | J Med Chem 48: 7781-8 (2005) | The University of Newcastle | 2D 3D TSV |
16302814 | 55 | Structure-activity relationships in 1,4-benzodioxan-related compounds. 8.(1) {2-[2-(4-chlorobenzyloxy)phenoxy]ethyl}-[2-(2,6-dimethoxyphenoxy)ethyl]amine (clopenphendioxan) as a tool to highlight the involvement of alpha1D- and alpha1B-adrenoreceptor subtypes in the regulation of human PC-3 prostate | J Med Chem 48: 7750-63 (2005) | Universit£ degli Studi di Camerino | 2D 3D TSV |
16302812 | 6 | Syntheses, biological evaluation, and molecular modeling of 18F-labeled 4-anilidopiperidines as mu-opioid receptor imaging agents. | 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. | 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. | 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. | 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. | 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. | J Med Chem 48: 7637-47 (2005) | Washington University | 2D 3D TSV |
16302800 | 12 | Structural basis of inhibitor specificity of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM-1) kinase. | 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. | 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. | 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. | 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. | J Med Chem 48: 7520-34 (2005) | Celera Genomics, Inc. | 2D 3D TSV |
16302793 | 17 | Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist. | J Med Chem 48: 7517-9 (2005) | ACADIA Pharmaceuticals AB | 2D 3D TSV |
16302792 | 19 | Rhodamine-labeled 2beta-carbomethoxy-3beta-(3,4-dichlorophenyl)tropane analogues as high-affinity fluorescent probes for the dopamine transporter. | 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. | 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. | Bioorg Med Chem Lett 16: 897-900 (2006) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16300943 | 5 | Inhibition of DNA helicases with DNA-competitive inhibitors. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2347-51 (2006) | Eli Lilly and Company | 2D 3D TSV |
16298129 | 18 | Novel non-nucleobase inhibitors of Staphylococcus aureus DNA polymerase IIIC. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 2341-6 (2006) | Eli Lilly and Company | 2D 3D TSV |
16297617 | 87 | Reduction of CYP450 inhibition in the 4-[(1H-imidazol-4-yl)methyl]piperidine series of histamine H3 receptor antagonists. | 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? | 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. | 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. | Bioorg Med Chem Lett 16: 905-10 (2006) | Pfizer Inc | 2D 3D TSV |
16290932 | 33 | Phthalazinones 2: Optimisation and synthesis of novel potent inhibitors of poly(ADP-ribose)polymerase. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 507-11 (2005) | Pharmacopeia | 2D 3D TSV |
16289817 | 23 | Piperazinyl oxime ethers as NK-1 receptor antagonists. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 1060-4 (2006) | Pfizer Inc | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 48: 7333-42 (2005) | University College London | 2D 3D TSV |
16279788 | 4 | Urotensin-II receptor ligands. From agonist to antagonist activity. | 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. | 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. | 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. | 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. | 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 a | 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. | J Med Chem 48: 7172-85 (2005) | Università degli Studi di Siena | 2D 3D TSV |
16279774 | 2 | Virtual screening of novel CB2 ligands using a comparative model of the human cannabinoid CB2 receptor. | J Med Chem 48: 7166-71 (2005) | University of Kuopio | 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. | J Med Chem 48: 7113-22 (2005) | Sapienza University of Rome | 2D 3D TSV |
16279768 | 40 | SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 373-7 (2005) | UCB Pharma SA | 2D 3D TSV |
16275086 | 18 | Synthesis and biological activity of the first cyclic biphalin analogues. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 554-8 (2005) | University of Tokyo | 2D 3D TSV |
16275076 | 45 | Pyrrolopyridazine MEK inhibitors. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 658-62 (2005) | Abbott GmbH & Co. KG | 2D 3D TSV |
16266803 | 2 | Side-chain modified analogues of histaprodifen: asymmetric synthesis and histamine H1-receptor activity. | Bioorg Med Chem Lett 16: 672-6 (2006) | Universit£t Regensburg | 2D 3D TSV |
16263284 | 36 | Synthesis of functionalized 1,8-naphthyridinones and their evaluation as novel, orally active CB1 receptor inverse agonists. | Bioorg Med Chem Lett 16: 681-5 (2005) | Merck Research Laboratories | 2D 3D TSV |
16263283 | 55 | New bicyclic cannabinoid receptor-1 (CB1-R) antagonists. | Bioorg Med Chem Lett 16: 731-6 (2005) | Pfizer Inc | 2D 3D TSV |
16263282 | 43 | Synthesis and pharmacological evaluation of second-generation phosphatidic acid derivatives as lysophosphatidic acid receptor ligands. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 378-81 (2005) | GlaxoSmithKline | 2D 3D TSV |
16260132 | 6 | Synthesis of N-benzylated-2-aminoquinolines as ligands for the Tec SH3 domain. | 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. | 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. | Bioorg Med Chem Lett 16: 677-80 (2005) | Vernalis plc | 2D 3D TSV |
16257206 | 18 | Derivatives of tramadol for increased duration of effect. | 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. | 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. | 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. | 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). | J Nat Prod 68: 1545-8 (2005) | Fr. 8.2 Pharmakognosie und Analytische Phytochemie der Universität des Saarlandes | 2D 3D TSV |
16252920 | 3 | Phenolic and triterpene glycosides from the stems of Ilex litseaefolia. | J Nat Prod 68: 1531-5 (2005) | Chinese Academy of Sciences | 2D 3D TSV |
16252917 | 8 | Selective cyclooxygenase-2 inhibitors from Calophyllum membranaceum. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | J Med Chem 48: 6956-69 (2005) | GlaxoSmithKline | 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. | 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. | 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. | 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. | 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. | J Med Chem 48: 6855-69 (2005) | Solvay Pharma | 2D 3D TSV |
16250643 | 32 | Pyrazolo[3,4-c]pyridazines as novel and selective inhibitors of cyclin-dependent kinases. | 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. | 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. | J Med Chem 48: 6803-12 (2005) | James Black Foundation | 2D 3D TSV |
16250638 | 46 | Scaffold hopping with molecular field points: identification of a cholecystokinin-2 (CCK2) receptor pharmacophore and its use in the design of a prototypical series of pyrrole- and imidazole-based CCK2 antagonists. | J Med Chem 48: 6790-802 (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. | J Med Chem 48: 6772-5 (2005) | Eli Lilly and Company | 2D 3D TSV |
16250632 | 2 | Design and synthesis of peptidomimetic severe acute respiratory syndrome chymotrypsin-like protease inhibitors. | 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. | 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. | J Biol Chem 281: 260-8 (2006) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
16249095 | 43 | Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B. | 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. | 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. | Bioorg Med Chem Lett 16: 191-5 (2006) | Eli Lilly and Company | 2D 3D TSV |
16248836 | 154 | Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. | Curr Drug Metab 6: 413-54 (2005) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16246563 | 30 | Peptide inhibitors of dengue virus NS3 protease. Part 2: SAR study of tetrapeptide aldehyde inhibitors. | 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). | 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. | Bioorg Med Chem Lett 16: 354-7 (2005) | F. Hoffmann-La Roche Inc | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 349-53 (2005) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16246555 | 24 | Pentacyclic triterpenes. Part 2: Synthesis and biological evaluation of maslinic acid derivatives as glycogen phosphorylase inhibitors. | Bioorg Med Chem Lett 16: 722-6 (2005) | China Pharmaceutical University | 2D 3D TSV |
16246554 | 1 | Hexylitaconic acid: a new inhibitor of p53-HDM2 interaction isolated from a marine-derived fungus, Arthrinium sp. | Bioorg Med Chem Lett 16: 69-71 (2006) | Kanazawa University | 2D 3D TSV |
16246553 | 12 | Peptide inhibitors of Dengue virus NS3 protease. Part 1: Warhead. | 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. | 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. | 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). | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | 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. | Bioorg Med Chem Lett 16: 59-63 (2005) | Technische Universität München | 2D 3D TSV |
16236505 | 18 | NBD-labeled derivatives of the immunomodulatory drug FTY720 as tools for metabolism and mode of action studies. | Bioorg Med Chem Lett 16: 84-7 (2006) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
16236504 | 87 | Design and preparation of 2-benzamido-pyrimidines as inhibitors of IKK. | 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. | Bioorg Med Chem Lett 16: 123-8 (2006) | Johnson & Johnson Pharmaceutical | 2D 3D TSV |
16236499 | 17 | Optimization of CCR4 antagonists: side-chain exploration. | 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. | 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. | 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. | 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. | Bioorg Med Chem 13: 6588-97 (2005) | Neuropharma | 2D 3D TSV |
16230012 | 39 | Molecular docking and 3D-QSAR on 2-(oxalylamino) benzoic acid and its analogues as protein tyrosine phosphatase 1B inhibitors. | Bioorg Med Chem Lett 15: 5521-5 (2005) | Graduate University of Chinese Academy of Sciences | 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. | J Med Chem 48: 6713-30 (2005) | Pfizer Inc | 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. | J Med Chem 48: 6661-70 (2005) | The University of Texas at Houston | 2D 3D TSV |
16220981 | 28 | Improving the antiviral efficacy and selectivity of HIV-1 reverse transcriptase inhibitor TSAO-T by the introduction of functional groups at the N-3 position. | J Med Chem 48: 6653-60 (2005) | Instituto de Química Médica (CSIC) | 2D 3D TSV |
16220980 | 43 | Discovery of iodinated somatostatin analogues selective for hsst2 and hsst5 with excellent inhibition of growth hormone and prolactin release from rat pituitary cells. | J Med Chem 48: 6643-52 (2005) | University of California San Diego | 2D 3D TSV |
16220979 | 64 | Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis. | J Med Chem 48: 6632-42 (2005) | Saarland University | 2D 3D TSV |
16220978 | 14 | Angiotensin II pseudopeptides containing 1,3,5-trisubstituted benzene scaffolds with high AT2 receptor affinity. | J Med Chem 48: 6620-31 (2005) | Uppsala University | 2D 3D TSV |
16220977 | 9 | Hydroxyethylene sulfones as a new scaffold to address aspartic proteases: design, synthesis, and structural characterization. | J Med Chem 48: 6607-19 (2005) | Philipps-Universitat Marburg | 2D 3D TSV |
16220976 | 66 | Synthesis and antimuscarinic properties of quinuclidin-3-yl 1,2,3,4-tetrahydroisoquinoline-2-carboxylate derivatives as novel muscarinic receptor antagonists. | J Med Chem 48: 6597-606 (2005) | Astellas Pharma Inc | 2D 3D TSV |
16220975 | 40 | Receptor flexibility in de novo ligand design and docking. | J Med Chem 48: 6585-96 (2005) | De Novo Pharmaceuticals | 2D 3D TSV |
16220971 | 4 | Selective inhibition of MCF-7(piGST) breast tumors using glutathione transferase-derived 2-methylene-cycloalkenones. | J Med Chem 48: 6549-52 (2005) | University of Maryland | 2D 3D TSV |
16220970 | 7 | Structure-based design and discovery of protein tyrosine phosphatase inhibitors incorporating novel isothiazolidinone heterocyclic phosphotyrosine mimetics. | J Med Chem 48: 6544-8 (2005) | Incyte Corporation | 2D 3D TSV |
16220969 | 219 | Designed multiple ligands. An emerging drug discovery paradigm. | J Med Chem 48: 6523-43 (2005) | Organon Laboratories | 2D 3D TSV |
16219465 | 82 | Synthesis and SAR of highly potent dual 5-HT1A and 5-HT1B antagonists as potential antidepressant drugs. | Bioorg Med Chem Lett 15: 5567-73 (2005) | Abbott GmbH & Co. KG | 2D 3D TSV |
16219464 | 156 | Metalloform-selective inhibition: synthesis and structure-activity analysis of Mn(II)-form-selective inhibitors of Escherichia coli methionine aminopeptidase. | Bioorg Med Chem Lett 15: 5386-91 (2005) | Graduate School of Chinese Academy of Sciences | 2D 3D TSV |
16219463 | 34 | Estrogen receptor beta selective ligands: discovery and SAR of novel heterocyclic ligands. | Bioorg Med Chem Lett 15: 5562-6 (2005) | Pfizer Inc | 2D 3D TSV |
16218678 | 20 | Novel inhibitors of the mitochondrial respiratory chain: oximes and pyrrolines isolated from Penicillium brevicompactum and synthetic analogues. | J Agric Food Chem 53: 8296-301 (2005) | Universidad Polit£cnica de Valencia | 2D 3D TSV |
16216509 | 18 | Novel triazole based inhibitors of Ras farnesyl transferase. | Bioorg Med Chem Lett 15: 5407-11 (2005) | Janssen Research Foundation | 2D 3D TSV |
16216508 | 44 | Discovery of novel 1-arylmethyl pyrrolidin-2-yl ethanol amines as calcium-sensing receptor antagonists. | Bioorg Med Chem Lett 15: 5478-82 (2005) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
16216507 | 87 | Synthesis and evaluation of novel 8,6-fused bicyclic peptidomimetic compounds as interleukin-1beta converting enzyme inhibitors. | Bioorg Med Chem Lett 15: 5434-8 (2005) | Procter & Gamble Pharmaceuticals Inc | 2D 3D TSV |
16216506 | 31 | 3-Arylpiperazinylethyl-1H-pyrrolo[2,3-d]pyrimidine-2,4(3H,7H)-dione derivatives as novel, high-affinity and selective alpha(1)-adrenoceptor ligands. | Bioorg Med Chem Lett 16: 150-3 (2005) | Università di Catania | 2D 3D TSV |
16216504 | 8 | Biological evaluation of 1-alkyl-3-phenylthioureas as orally active HDL-elevating agents. | Bioorg Med Chem Lett 16: 113-7 (2005) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
16216503 | 5 | Synthesis of a novel biotin-tagged photoaffinity probe for VEGF receptor tyrosine kinases. | Bioorg Med Chem Lett 16: 129-33 (2005) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
16216502 | 119 | Scaffold oriented synthesis. Part 1: Design, preparation, and biological evaluation of thienopyrazoles as kinase inhibitors. | Bioorg Med Chem Lett 16: 96-9 (2005) | Abbott Laboratories | 2D 3D TSV |
16216501 | 1 | New 7,8-ethylenedioxy-2,3-benzodiazepines as noncompetitive AMPA receptor antagonists. | Bioorg Med Chem Lett 16: 167-70 (2005) | Università di Messina | 2D 3D TSV |
16216500 | 12 | Synthesis and biological evaluation of novel heterocyclic quinones as inhibitors of the dual specificity protein phosphatase CDC25C. | Bioorg Med Chem Lett 16: 171-5 (2005) | Institut Henri Beaufour | 2D 3D TSV |
16216498 | 2 | Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor. | Bioorg Med Chem Lett 15: 5365-9 (2005) | University of Würzburg | 2D 3D TSV |
16216497 | 67 | Discovery of A-770041, a src-family selective orally active lck inhibitor that prevents organ allograft rejection. | Bioorg Med Chem Lett 16: 118-22 (2005) | Abbott Bioresearch Center | 2D 3D TSV |
16216496 | 112 | Pulvinones as bacterial cell wall biosynthesis inhibitors. | Bioorg Med Chem Lett 16: 176-80 (2006) | Wyeth Research | 2D 3D TSV |
16216042 | 10 | Synthesis and biological evaluation of novel EG5 inhibitors. | Chembiochem 6: 2005-13 (2005) | University of Leipzig | 2D 3D TSV |
16213725 | 1 | Synthesis and preliminary evaluation of [3H]PSB-0413, a selective antagonist radioligand for platelet P2Y12 receptors. | Bioorg Med Chem Lett 15: 5450-2 (2005) | University of Bonn | 2D 3D TSV |
16213722 | 36 | Identification and initial evaluation of 4-N-aryl-[1,4]diazepane ureas as potent CXCR3 antagonists. | Bioorg Med Chem Lett 16: 200-3 (2005) | Pharmacopeia Drug Discovery Inc | 2D 3D TSV |
16213721 | 60 | N-8-Substituted benztropinamine analogs as selective dopamine transporter ligands. | Bioorg Med Chem Lett 15: 5419-23 (2005) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
16213720 | 9 | Conformationally restricted analogs of Combretastatin A-4 derived from SU5416. | Bioorg Med Chem Lett 15: 5382-5 (2005) | The Ohio State University | 2D 3D TSV |
16213718 | 93 | New metabolically stable fatty acid amide ligands of cannabinoid receptors: Synthesis and receptor affinity studies. | Bioorg Med Chem Lett 16: 138-41 (2005) | Institute of Biomolecular Chemistry | 2D 3D TSV |
16213716 | 16 | 3-(5-Chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as inhibitors of the Hsp90 molecular chaperone. | Bioorg Med Chem Lett 15: 5197-201 (2005) | Vernalis (R&D) Ltd | 2D 3D TSV |
16213715 | 4 | Structural basis for the GSK-3beta binding affinity and selectivity against CDK-2 of 1-(4-aminofurazan-3yl)-5-dialkylaminomethyl-1H-[1,2,3] triazole-4-carboxylic acid derivatives. | Bioorg Med Chem Lett 15: 5129-35 (2005) | Universidade do Porto | 2D 3D TSV |
16213711 | 37 | Ketene aminal-based lactam derivatives as a novel class of orally active FXa inhibitors. | Bioorg Med Chem Lett 15: 5453-8 (2005) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
16213710 | 32 | Synthesis and preliminary biological evaluation of (2S,1'R,2'S)- and (2S,1'S,2'R)-2-(2'-phosphonocyclopropyl)glycines, two novel conformationally constrained l-AP4 analogues. | Bioorg Med Chem Lett 16: 196-9 (2005) | Universit£ di Perugia | 2D 3D TSV |
16213707 | 4 | Geometric diversity through permutation of backbone configuration in cyclic peptide libraries. | Bioorg Med Chem Lett 15: 5329-34 (2005) | Harvard Medical School | 2D 3D TSV |
16213706 | 8 | Synthesis and structure-activity relationships of novel benzene sulfonamides with potent binding affinity for bovine carbonic anhydrase II. | Bioorg Med Chem Lett 15: 5429-33 (2005) | Griffith University | 2D 3D TSV |
16213543 | 3 | Inhibitors designed for the active site of dihydroorotase. | Bioorg Chem 33: 470-83 (2005) | Texas A&M University | 2D 3D TSV |
16213138 | 80 | Selective and orally bioavailable phenylglycine tissue factor/factor VIIa inhibitors. | Bioorg Med Chem Lett 15: 5344-52 (2005) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16206837 | 9 | Tyrosinase inhibition: conformational analysis based studies on molecular dynamics calculations of bipiperidine based inhibitors. | J Enzyme Inhib Med Chem 20: 401-7 (2005) | University of Karachi | 2D 3D TSV |
16206825 | 3 | 6-(N-benzoylamino)purine as a novel and potent inhibitor of xanthine oxidase: inhibition mechanism and molecular modeling studies. | J Enzyme Inhib Med Chem 20: 317-24 (2005) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
16204883 | 5 | The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition. | Acta Crystallogr D Biol Crystallogr 61: 1320-34 (2005) | University of California San Francisco | 2D 3D TSV |
16204472 | 2 | Differential effects of the phosphodiesterase type 5 inhibitors sildenafil, vardenafil, and tadalafil in rat aorta. | J Pharmacol Exp Ther 316: 654-61 (2006) | Medical College of Georgia | 2D 3D TSV |
16203148 | 15 | Orally bioavailable highly potent HIV protease inhibitors against PI-resistant virus. | Bioorg Med Chem Lett 15: 5311-4 (2005) | Merck Research Laboratories | 2D 3D TSV |
16203142 | 55 | Carbonic anhydrase inhibitors: inhibition of the human isozymes I, II, VA, and IX with a library of substituted difluoromethanesulfonamides. | Bioorg Med Chem Lett 15: 5192-6 (2005) | Universit£ degli Studi di Firenze | 2D 3D TSV |
16203141 | 5 | Synthesis and activity of N-acyl azacyclic urea HIV-1 protease inhibitors with high potency against multiple drug resistant viral strains. | Bioorg Med Chem Lett 15: 5499-503 (2005) | Abbott Laboratories | 2D 3D TSV |
16203140 | 74 | Potent and highly selective kappa opioid receptor agonists incorporating chroman- and 2,3-dihydrobenzofuran-based constraints. | Bioorg Med Chem Lett 15: 5114-9 (2005) | Adolor Corporation | 2D 3D TSV |
16203139 | 46 | New heterocyclic analogues of 4-(2-chloro-5-methoxyanilino)quinazolines as potent and selective c-Src kinase inhibitors. | Bioorg Med Chem Lett 15: 5446-9 (2005) | AstraZeneca | 2D 3D TSV |
16203138 | 26 | Estrogen receptor ligands. Part 14: application of novel antagonist side chains to existing platforms. | Bioorg Med Chem Lett 15: 5124-8 (2005) | Merck Research Laboratories | 2D 3D TSV |
16203136 | 62 | Aminopiperidine indazoles as orally efficacious melanin concentrating hormone receptor-1 antagonists. | Bioorg Med Chem Lett 15: 5293-7 (2005) | Abbott Laboratories | 2D 3D TSV |
16203134 | 37 | Preparation of human Melanocortin-4 receptor agonist libraries: linear peptides X-Y-DPhe7-Arg8-Trp(or 2-Nal)9-Z-NH2. | Bioorg Med Chem Lett 15: 5504-8 (2005) | Roche Research Center | 2D 3D TSV |
16202593 | 8 | Surfing the piperazine core of tricyclic farnesyltransferase inhibitors. | Bioorg Med Chem Lett 15: 5537-43 (2005) | Pharmacopeia | 2D 3D TSV |
16202589 | 11 | Structure-based discovery of a new class of Hsp90 inhibitors. | Bioorg Med Chem Lett 15: 5187-91 (2005) | Vernalis (R&D) Ltd | 2D 3D TSV |
16202586 | 7 | Cyclohexyl-linked tricyclic isoxazoles are potent and selective modulators of the multidrug resistance protein (MRP1). | Bioorg Med Chem Lett 15: 5526-30 (2005) | Eli Lilly and Company | 2D 3D TSV |
16202585 | 30 | Synthesis and monoamine transporter affinity of 3-aryl substituted trop-2-enes. | Bioorg Med Chem Lett 15: 5488-93 (2005) | University of Illinois at Chicago | 2D 3D TSV |
16202584 | 11 | Sulfonamide chalcone as a new class of alpha-glucosidase inhibitors. | Bioorg Med Chem Lett 15: 5514-6 (2005) | Gyeongsang National University | 2D 3D TSV |
16202583 | 46 | Biaryl diamides as potent melanin concentrating hormone receptor 1 antagonists. | Bioorg Med Chem Lett 15: 5234-6 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16202582 | 10 | Transforming bivalent ligands into retractable enzyme inhibitors through polypeptide-protein interactions. | Bioorg Med Chem Lett 15: 5120-3 (2005) | National Research Council of Canada | 2D 3D TSV |
16202581 | 21 | Novel 7-methoxy-6-oxazol-5-yl-2,3-dihydro-1H-quinazolin-4-ones as IMPDH inhibitors. | Bioorg Med Chem Lett 15: 5335-9 (2005) | UCB Pharma SA | 2D 3D TSV |
16201766 | 10 | Isolation, catalytic properties, and competitive inhibitors of the zinc-dependent murine glutaminyl cyclase. | Biochemistry 44: 13415-24 (2005) | Probiodrug AG | 2D 3D TSV |
16199156 | 1 | Identification of coumarin derivatives as a novel class of allosteric MEK1 inhibitors. | Bioorg Med Chem Lett 15: 5467-73 (2005) | Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
16198563 | 27 | Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. Part 1: 4'-substituted triclosan derivatives. | Bioorg Med Chem Lett 15: 5247-52 (2005) | Jacobus Pharmaceutical Company | 2D 3D TSV |
16198561 | 99 | Novel CCR1 antagonists with oral activity in the mouse collagen induced arthritis. | Bioorg Med Chem Lett 15: 5160-4 (2005) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
16198560 | 19 | Pyrimido-oxazepine as a versatile template for the development of inhibitors of specific kinases. | Bioorg Med Chem Lett 15: 5474-7 (2005) | ImClone Systems Inc | 2D 3D TSV |
16198559 | 17 | Heteroaryl-O-glucosides as novel sodium glucose co-transporter 2 inhibitors. Part 1. | Bioorg Med Chem Lett 15: 5202-6 (2005) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16190777 | 6 | Synthesis and pharmacological evaluation of 1H-imidazoles as ligands for the estrogen receptor and cytotoxic inhibitors of the cyclooxygenase. | J Med Chem 48: 6516-21 (2005) | Free University of Berlin | 2D 3D TSV |
16190775 | 88 | Design, synthesis, and preliminary pharmacological evaluation of a set of small molecules that directly activate gi proteins. | J Med Chem 48: 6491-503 (2005) | Universit£ di Firenze | 2D 3D TSV |
16190774 | 60 | Synthesis and SAR of 5-amino- and 5-(aminomethyl)benzofuran histamine H3 receptor antagonists with improved potency. | J Med Chem 48: 6482-90 (2005) | Abbott Laboratories | 2D 3D TSV |
16190772 | 53 | Synthesis and structure-activity relationship of the first nonpeptidergic inverse agonists for the human cytomegalovirus encoded chemokine receptor US28. | J Med Chem 48: 6461-71 (2005) | Vrije Universiteit | 2D 3D TSV |
16190770 | 8 | Synthesis of leukotriene B4 antagonists labeled with In-111 or Tc-99m to image infectious and inflammatory foci. | J Med Chem 48: 6442-53 (2005) | Bristol-Myers Squibb Medical Imaging | 2D 3D TSV |
16190769 | 23 | Adenosine kinase inhibitors. 5. Synthesis, enzyme inhibition, and analgesic activity of diaryl-erythro-furanosyltubercidin analogues. | J Med Chem 48: 6430-41 (2005) | Metabasis Therapeutics Inc | 2D 3D TSV |
16190768 | 6 | High affinity electrophilic and photoactivatable covalent endocannabinoid probes for the CB1 receptor. | J Med Chem 48: 6423-9 (2005) | Northeastern University | 2D 3D TSV |
16190766 | 10 | Synthesis and antiinflammatory activity of coumarin derivatives. | J Med Chem 48: 6400-8 (2005) | Aristotle University of Thessaloniki | 2D 3D TSV |
16190764 | 24 | Potent cannabinergic indole analogues as radioiodinatable brain imaging agents for the CB1 cannabinoid receptor. | J Med Chem 48: 6386-92 (2005) | Northeastern University | 2D 3D TSV |
16190763 | 9 | Structure-activity relationships of new A,D-ring modified steroids as aromatase inhibitors: design, synthesis, and biological activity evaluation. | J Med Chem 48: 6379-85 (2005) | University of Oporto | 2D 3D TSV |
16190761 | 14 | Alkyl-substituted polyaminohydroxamic acids: a novel class of targeted histone deacetylase inhibitors. | J Med Chem 48: 6350-65 (2005) | Wayne State University | 2D 3D TSV |
16190760 | 14 | Design, synthesis, and activity of analogues of phosphinothricin as inhibitors of glutamine synthetase. | J Med Chem 48: 6340-9 (2005) | Wroclaw University of Technology | 2D 3D TSV |
16190759 | 60 | A novel series of non-carboxylic acid, non-hydantoin inhibitors of aldose reductase with potent oral activity in diabetic rat models: 6-(5-chloro-3-methylbenzofuran-2-sulfonyl)-2H-pyridazin-3-one and congeners. | J Med Chem 48: 6326-39 (2005) | Pfizer Inc | 2D 3D TSV |
16190758 | 30 | Synthesis, binding affinity at glutamic acid receptors, neuroprotective effects, and molecular modeling investigation of novel dihydroisoxazole amino acids. | J Med Chem 48: 6315-25 (2005) | Università degli Studi di Milano | 2D 3D TSV |
16190757 | 67 | Simple but highly effective three-dimensional chemical-feature-based pharmacophore model for diketo acid derivatives as hepatitis C virus RNA-dependent RNA polymerase inhibitors. | J Med Chem 48: 6304-14 (2005) | Sapienza University of Rome | 2D 3D TSV |
16190753 | 17 | 5-Cyanopyrimidine derivatives as a novel class of potent, selective, and orally active inhibitors of p38alpha MAP kinase. | J Med Chem 48: 6261-70 (2005) | Bristol-Myers Squibb Co. | 2D 3D TSV |
16190750 | 7 | Design, synthesis, and biological activity of m-tyrosine-based 16- and 17-membered macrocyclic inhibitors of hepatitis C virus NS3 serine protease. | J Med Chem 48: 6229-35 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16190749 | 27 | Design and synthesis of specific probes for human 5-HT4 receptor dimerization studies. | J Med Chem 48: 6220-8 (2005) | Université de Paris XI | 2D 3D TSV |
16190748 | 10 | Ligand recognition by RAR and RXR receptors: binding and selectivity. | J Med Chem 48: 6212-9 (2005) | Universidad de Santiago de Compostela | 2D 3D TSV |
16190746 | 28 | Molecular modeling of wild-type and D816V c-Kit inhibition based on ATP-competitive binding of ellipticine derivatives to tyrosine kinases. | J Med Chem 48: 6194-201 (2005) | CNRS UMR-8113 | 2D 3D TSV |
16190745 | 85 | Acyl ureas as human liver glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. | J Med Chem 48: 6178-93 (2005) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
16190744 | 37 | Indole-3-acetic acid antagonists of the prostaglandin D2 receptor CRTH2. | J Med Chem 48: 6174-7 (2005) | Oxagen Ltd. | 2D 3D TSV |
16190743 | 78 | Discovery of potent 3,5-diphenyl-1,2,4-oxadiazole sphingosine-1-phosphate-1 (S1P1) receptor agonists with exceptional selectivity against S1P2 and S1P3. | J Med Chem 48: 6169-73 (2005) | Merck Research Laboratories | 2D 3D TSV |
16185867 | 5 | Novel cell-penetrating alpha-keto-amide calpain inhibitors as potential treatment for muscular dystrophy. | Bioorg Med Chem Lett 15: 5176-81 (2005) | Santhera Pharmaceuticals | 2D 3D TSV |
16185866 | 53 | Discovery of 4-heteroarylbicyclo[2.2.2]octyltriazoles as potent and selective inhibitors of 11beta-HSD1: novel therapeutic agents for the treatment of metabolic syndrome. | Bioorg Med Chem Lett 15: 5266-9 (2005) | Merck & Co. | 2D 3D TSV |
16185865 | 4 | Rapamycin analogs with reduced systemic exposure. | Bioorg Med Chem Lett 15: 5340-3 (2005) | Abbott Laboratories | 2D 3D TSV |
16183286 | 9 | Binding of amine-substituted N1-benzenesulfonylindoles at human 5-HT6 serotonin receptors. | Bioorg Med Chem Lett 15: 5298-302 (2005) | Virginia Commonwealth University | 2D 3D TSV |
16183285 | 4 | Inhibitors of the serotonin transporter protein (SERT): the design and synthesis of biotinylated derivatives of 3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indoles. High-affinity serotonergic ligands for conjugation with quantum dots. | Bioorg Med Chem Lett 15: 5307-10 (2005) | Vanderbilt University | 2D 3D TSV |
16183284 | 1 | A new antitumor compound from the plant Oryctanthus sp. as a VEGF receptor binding inhibitor. | Bioorg Med Chem Lett 15: 4907-9 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16183282 | 47 | Structure-activity relationship studies on a series of cyclohexylpiperazines bearing a phanylacetamide as ligands of the human melanocortin-4 receptor. | Bioorg Med Chem Lett 15: 5237-40 (2005) | Neurocrine Biosciences Inc | 2D 3D TSV |
16183279 | 111 | Design and synthesis of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 1. | Bioorg Med Chem Lett 15: 4979-84 (2005) | GNF | 2D 3D TSV |
16183278 | 6 | Synthesis of desthio prenylcysteine analogs: sulfur is important for biological activity. | Bioorg Med Chem Lett 15: 5080-3 (2005) | Purdue University | 2D 3D TSV |
16183277 | 3 | Synthesis and HIV-1 integrase inhibitory activities of caffeic acid dimers derived from Salvia officinalis. | Bioorg Med Chem Lett 15: 5053-6 (2005) | Université des Sciences et Technologies de Lille I | 2D 3D TSV |
16183275 | 42 | 3-[Substituted]-5-(5-pyridin-2-yl-2H-tetrazol-2-yl)benzonitriles: identification of highly potent and selective metabotropic glutamate subtype 5 receptor antagonists. | Bioorg Med Chem Lett 15: 5061-4 (2005) | Merck Research Laboratories | 2D 3D TSV |
16183274 | 9 | Nonsteroidal anti-inflammatory drugs and their analogues as inhibitors of aldo-keto reductase AKR1C3: new lead compounds for the development of anticancer agents. | Bioorg Med Chem Lett 15: 5170-5 (2005) | University of Ljubljana | 2D 3D TSV |
16183273 | 12 | New series of potent delta-opioid antagonists containing the H-Dmt-Tic-NH-hexyl-NH-R motif. | Bioorg Med Chem Lett 15: 5517-20 (2005) | Kobe Gakuin University | 2D 3D TSV |
16183025 | 6 | Structure-based discovery of a boronic acid bioisostere of combretastatin A-4. | Chem Biol 12: 1007-14 (2005) | University of Virginia | 2D 3D TSV |
16183021 | 19 | Methylxanthine drugs are chitinase inhibitors: investigation of inhibition and binding modes. | Chem Biol 12: 973-80 (2005) | University of Dundee | 2D 3D TSV |
16180833 | 4 | Anthrabenzoxocinones from Streptomyces sp. as liver X receptor ligands and antibacterial agents. | J Nat Prod 68: 1437-40 (2005) | Merck Research Laboratories | 2D 3D TSV |
16176875 | 1 | Design, synthesis, and evaluation of octahydropyranopyrrole-based inhibitors of mammalian ribonucleotide reductase. | Bioorg Med Chem Lett 15: 5146-9 (2005) | University of Pennsylvania | 2D 3D TSV |
16175541 | 22 | An experimental and molecular-modeling study of the binding of linked sulfated tetracyclitols to FGF-1 and FGF-2. | Chembiochem 6: 1882-90 (2005) | Progen Industries Ltd | 2D 3D TSV |
16171993 | 45 | 3,5-Bicyclic aryl piperidines: a novel class of alpha4beta2 neuronal nicotinic receptor partial agonists for smoking cessation. | Bioorg Med Chem Lett 15: 4889-97 (2005) | Pfizer Inc | 2D 3D TSV |
16169725 | 7 | Solid-phase binding assays of peptides using EGFP-Src SH2 domain fusion protein and biotinylated Src SH2 domain. | Bioorg Med Chem Lett 15: 4994-7 (2005) | University of Rhode Island | 2D 3D TSV |
16169723 | 28 | Inhibitors of phenylethanolamine N-methyltransferase devoid of alpha2-adrenoceptor affinity. | Bioorg Med Chem Lett 15: 5319-23 (2005) | University of Kansas | 2D 3D TSV |
16169718 | 17 | Two classes of p38alpha MAP kinase inhibitors having a common diphenylether core but exhibiting divergent binding modes. | Bioorg Med Chem Lett 15: 5274-9 (2005) | Locus Pharmaceuticals, Inc. | 2D 3D TSV |
16169219 | 6 | Pentacyclic triterpenes. Part 1: the first examples of naturally occurring pentacyclic triterpenes as a new class of inhibitors of glycogen phosphorylases. | Bioorg Med Chem Lett 15: 4944-8 (2005) | China Pharmaceutical University | 2D 3D TSV |
16169218 | 30 | Discovery of 1-amino-4-phenylcyclohexane-1-carboxylic acid and its influence on agonist selectivity between human melanocortin-4 and -1 receptors in linear pentapeptides. | Bioorg Med Chem Lett 15: 4910-4 (2005) | Roche Research Center | 2D 3D TSV |
16169217 | 5 | A lead compound for the development of ABA 8'-hydroxylase inhibitors. | Bioorg Med Chem Lett 15: 5226-9 (2005) | Gifu University | 2D 3D TSV |
16169215 | 27 | Privileged structure based ligands for melanocortin receptors--substituted benzylic piperazine derivatives. | Bioorg Med Chem Lett 15: 4973-8 (2005) | Eli Lilly and Company | 2D 3D TSV |
16169214 | 1 | Design, synthesis, and enzymatic property of a sulfur-substituted analogue of trigalacturonic acid. | Bioorg Med Chem Lett 15: 4932-5 (2005) | Hirosaki University | 2D 3D TSV |
16168653 | 100 | Carbonic anhydrase inhibitors: inhibition of the tumor-associated isozymes IX and XII with a library of aromatic and heteroaromatic sulfonamides. | Bioorg Med Chem Lett 15: 4862-6 (2005) | Università degli Studi di Firenze | 2D 3D TSV |
16168649 | 65 | A series of bisaryl imidazolidin-2-ones has shown to be selective and orally active 5-HT2C receptor antagonists. | Bioorg Med Chem Lett 15: 4989-93 (2005) | GlaxoSmithKline | 2D 3D TSV |
16168647 | 80 | Discovery of a substituted 8-arylquinoline series of PDE4 inhibitors: structure-activity relationship, optimization, and identification of a highly potent, well tolerated, PDE4 inhibitor. | Bioorg Med Chem Lett 15: 5241-6 (2005) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
16168646 | 39 | N-[(3S)-1-benzylpyrrolidin-3-yl]-(2-thienyl)benzamides: human dopamine D4 ligands with high affinity for the 5-HT2A receptor. | Bioorg Med Chem Lett 15: 5253-6 (2005) | NPS Pharmaceuticals Inc | 2D 3D TSV |
16168644 | 5 | Phosphinate, sulfonate, and sulfonamidate dipeptides as potential inhibitors of Escherichia coli aminopeptidase N. | Bioorg Med Chem Lett 15: 5150-3 (2005) | Miami University | 2D 3D TSV |
16168641 | 35 | Topological model for the prediction of MRP1 inhibitory activity of pyrrolopyrimidines and templates derived from pyrrolopyrimidine. | Bioorg Med Chem Lett 15: 4967-72 (2005) | M.D. University | 2D 3D TSV |
16168640 | 82 | 2-Cyano-4-fluoro-1-thiovalylpyrrolidine analogues as potent inhibitors of DPP-IV. | Bioorg Med Chem Lett 15: 5257-61 (2005) | GlaxoSmithKline | 2D 3D TSV |
16165358 | 26 | High affinity ligands for the alpha7 nicotinic receptor that show no cross-reactivity with the 5-HT3 receptor. | Bioorg Med Chem Lett 15: 4727-30 (2005) | Eli Lilly and Company | 2D 3D TSV |
16165356 | 85 | Synthesis and biological activities of aryl-ether-, biaryl-, and fluorene-aspartic acid and diaminopropionic acid analogs as potent inhibitors of the high-affinity glutamate transporter EAAT-2. | Bioorg Med Chem Lett 15: 4985-8 (2005) | Wyeth Research | 2D 3D TSV |
16165354 | 19 | Structure-based design of 7-carbamate analogs of geldanamycin. | Bioorg Med Chem Lett 15: 5016-21 (2005) | Kosan Biosciences Inc | 2D 3D TSV |
16165353 | 15 | Exploring the connection unit in the HDAC inhibitor pharmacophore model: novel uracil-based hydroxamates. | Bioorg Med Chem Lett 15: 4656-61 (2005) | Sapienza University of Rome | 2D 3D TSV |
16165351 | 45 | Carbonic anhydrase inhibitors: inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, and IX with benzo[b]thiophene 1,1-dioxide sulfonamides. | Bioorg Med Chem Lett 15: 4872-6 (2005) | Università degli Studi di Firenze | 2D 3D TSV |
16165350 | 11 | The synthesis and biological evaluation of dopamine transporter inhibiting activity of substituted diphenylmethoxypiperidines. | Bioorg Med Chem Lett 15: 4915-8 (2005) | Wake Forest University Health Sciences | 2D 3D TSV |
16165349 | 40 | Inhibition of Tpl2 kinase and TNF-alpha production with 1,7-naphthyridine-3-carbonitriles: synthesis and structure-activity relationships. | Bioorg Med Chem Lett 15: 5288-92 (2005) | Wyeth Research | 2D 3D TSV |
16162016 | 30 | Thyrotropin-releasing hormone (TRH) analogues that exhibit selectivity to TRH receptor subtype 2. | J Med Chem 48: 6162-5 (2005) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
16162014 | 20 | Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. | J Med Chem 48: 6140-55 (2005) | Purdue University | 2D 3D TSV |
16162013 | 81 | Bisphosphonate inhibition of the exopolyphosphatase activity of the Trypanosoma brucei soluble vacuolar pyrophosphatase. | J Med Chem 48: 6128-39 (2005) | University of Illinois at Urbana-Champaign | 2D 3D TSV |
16162010 | 78 | Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations. | J Med Chem 48: 6090-106 (2005) | Uppsala University | 2D 3D TSV |
16162009 | 8 | Molecular modeling, synthesis, and preliminary biological evaluation of glutathione-S-transferase inhibitors as potential therapeutic agents. | J Med Chem 48: 6084-9 (2005) | Università della Magna Graecia | 2D 3D TSV |
16162008 | 146 | Thienopyrimidine ureas as novel and potent multitargeted receptor tyrosine kinase inhibitors. | J Med Chem 48: 6066-83 (2005) | Abbott Laboratories | 2D 3D TSV |
16162007 | 7 | Rational design, synthesis, and characterization of novel inhibitors for human beta1,4-galactosyltransferase. | J Med Chem 48: 6054-65 (2005) | Hokkaido University | 2D 3D TSV |
16162005 | 30 | Conformationally restricted homotryptamines. 2. Indole cyclopropylmethylamines as selective serotonin reuptake inhibitors. | J Med Chem 48: 6023-34 (2005) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
16162003 | 78 | A new pyridazine series of GABAA alpha5 ligands. | J Med Chem 48: 6004-11 (2005) | Merck Sharp & Dohme Research Laboratories | 2D 3D TSV |
16162002 | 51 | Differential response of estrogen receptor subtypes to 1,3-diarylindene and 2,3-diarylindene ligands. | J Med Chem 48: 5989-6003 (2005) | University of California | 2D 3D TSV |
16162001 | 12 | F-18 stilbenes as PET imaging agents for detecting beta-amyloid plaques in the brain. | J Med Chem 48: 5980-8 (2005) | University of Pennsylvania | 2D 3D TSV |
16162000 | 42 | Novel inhibitor of p38 MAP kinase as an anti-TNF-alpha drug: discovery of N-[4-[2-ethyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridyl]benzamide (TAK-715) as a potent and orally active anti-rheumatoid arthritis agent. | J Med Chem 48: 5966-79 (2005) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
16161998 | 143 | Deoxyuridine triphosphate nucleotidohydrolase as a potential antiparasitic drug target. | J Med Chem 48: 5942-54 (2005) | Cardiff University | 2D 3D TSV |
16161996 | 30 | Development of human calcitonin gene-related peptide (CGRP) receptor antagonists. 1. Potent and selective small molecule CGRP antagonists. 1-[N2-[3,5-dibromo-N-[[4-(3,4-dihydro-2(1H)-oxoquinazolin-3-yl)-1-piperidinyl]carbonyl]-D-tyrosyl]-l-lysyl]-4-(4-pyridinyl)piperazine: the first CGRP antagonist | J Med Chem 48: 5921-31 (2005) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
16161995 | 19 | 4-Anilino-7,8-dialkoxybenzo[g]quinoline-3-carbonitriles as potent Src kinase inhibitors. | J Med Chem 48: 5909-20 (2005) | Wyeth Research | 2D 3D TSV |
16161994 | 25 | Discovery of the novel antithrombotic agent 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide (BAY 59-7939): an oral, direct factor Xa inhibitor. | J Med Chem 48: 5900-8 (2005) | Bayer HealthCare AG | 2D 3D TSV |
16161992 | 29 | Discovery and characterization of aminopiperidinecoumarin melanin concentrating hormone receptor 1 antagonists. | J Med Chem 48: 5888-91 (2005) | Abbott Laboratories | 2D 3D TSV |
16161991 | 50 | Discovery of potent orally active thrombin receptor (protease activated receptor 1) antagonists as novel antithrombotic agents. | J Med Chem 48: 5884-7 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16159293 | 3 | Complexation of ferrocene derivatives by the cucurbit[7]uril host: a comparative study of the cucurbituril and cyclodextrin host families. | J Am Chem Soc 127: 12984-9 (2005) | University of Miami | 2D 3D TSV |
16154747 | 37 | Trifluoroethylamines as amide isosteres in inhibitors of cathepsin K. | Bioorg Med Chem Lett 15: 4741-4 (2005) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
16154746 | 10 | Bis(indole) alkaloids as sortase A inhibitors from the sponge Spongosorites sp. | Bioorg Med Chem Lett 15: 4927-31 (2005) | Seoul National University | 2D 3D TSV |
16154744 | 32 | Modulators of the human CCR5 receptor. Part 2: SAR of substituted 1-(3,3-diphenylpropyl)-piperidinyl phenylacetamides. | Bioorg Med Chem Lett 15: 5012-5 (2005) | AstraZeneca | 2D 3D TSV |
16153845 | 81 | Synthesis and biological activities of novel aryl indole-2-carboxylic acid analogs as PPARgamma partial agonists. | Bioorg Med Chem Lett 15: 5035-8 (2005) | Merck Research Laboratories | 2D 3D TSV |
16153841 | 24 | Activity and QSAR study of baogongteng A and its derivatives as muscarinic agonists. | Bioorg Med Chem Lett 15: 4814-8 (2005) | Shanghai Second Medical University | 2D 3D TSV |
16153839 | 64 | Identification of a potent and selective 5-HT1B receptor antagonist. | Bioorg Med Chem Lett 15: 4708-12 (2005) | GlaxoSmithKline | 2D 3D TSV |
16153837 | 21 | (4-Substituted-phenyl)-(5H-10,11-dihydro-pyrrolo [2,1-c][1,4] benzodiazepin-10-yl)-methanone derivatives as vasopressin receptor modulators. | Bioorg Med Chem Lett 15: 5003-6 (2005) | Wyeth Research | 2D 3D TSV |
16153836 | 7 | Synthesis of 4-(5-[18F]fluoromethyl-3-phenylisoxazol-4-yl)benzenesulfonamide, a new [18F]fluorinated analogue of valdecoxib, as a potential radiotracer for imaging cyclooxygenase-2 with positron emission tomography. | Bioorg Med Chem Lett 15: 4699-702 (2005) | University of California Los Angeles | 2D 3D TSV |
16153835 | 1 | An efficient synthesis of argifin: a natural product chitinase inhibitor with chemotherapeutic potential. | Bioorg Med Chem Lett 15: 4717-21 (2005) | University of Dundee | 2D 3D TSV |
16153834 | 102 | Preparation of 3-spirocyclic indolin-2-ones as ligands for the ORL-1 receptor. | Bioorg Med Chem Lett 15: 5022-6 (2005) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16153832 | 2 | Pyrazolopyridinones as functionally selective GABAA ligands. | Bioorg Med Chem Lett 15: 4998-5002 (2005) | Merck Sharp & Dohme Research Laboratories | 2D 3D TSV |
16153831 | 87 | Synthesis and SAR of highly selective MMP-13 inhibitors. | Bioorg Med Chem Lett 15: 4961-6 (2005) | Wyeth Research | 2D 3D TSV |
16153830 | 64 | Synthesis of [1,2,4]triazolo[1,5-a]pyrazines as adenosine A2A receptor antagonists. | Bioorg Med Chem Lett 15: 4809-13 (2005) | Biogen Idec Inc | 2D 3D TSV |
16153829 | 14 | The neuroprotective action of JNK3 inhibitors based on the 6,7-dihydro-5H-pyrrolo[1,2-a]imidazole scaffold. | Bioorg Med Chem Lett 15: 4666-70 (2005) | University College London | 2D 3D TSV |
16153828 | 22 | Bioisosteric phentolamine analogs as potent alpha-adrenergic antagonists. | Bioorg Med Chem Lett 15: 4691-5 (2005) | Chungbuk National University | 2D 3D TSV |
16143532 | 33 | SAR, species specificity, and cellular activity of cyclopentene dicarboxylic acid amides as DHODH inhibitors. | Bioorg Med Chem Lett 15: 4854-7 (2005) | 4SC AG | 2D 3D TSV |
16143531 | 58 | Synthesis and biological evaluation of 1,3-diphenylprop-2-yn-1-ones as dual inhibitors of cyclooxygenases and lipoxygenases. | Bioorg Med Chem Lett 15: 4842-5 (2005) | University of Alberta | 2D 3D TSV |
16143530 | 2 | Discovery of 4-aryl-4H-chromenes as a new series of apoptosis inducers using a cell- and caspase-based high-throughput screening assay. 2. Structure-activity relationships of the 7- and 5-, 6-, 8-positions. | Bioorg Med Chem Lett 15: 4745-51 (2005) | Maxim Pharmaceuticals, Inc. | 2D 3D TSV |
16143528 | 213 | Synthesis of potent and selective serotonin 5-HT1B receptor ligands. | Bioorg Med Chem Lett 15: 4786-9 (2005) | Columbia University College of Physicians and Surgeons | 2D 3D TSV |
16143527 | 32 | Benzyl ether structure-activity relationships in a series of ketopiperazine-based renin inhibitors. | Bioorg Med Chem Lett 15: 4713-6 (2005) | Pfizer Inc | 2D 3D TSV |
16143526 | 1 | Novel indole alpha-methylene-gamma-lactones as potent inhibitors for AKT-mTOR signaling pathway kinases. | Bioorg Med Chem Lett 15: 4799-802 (2005) | Chinese Academy of Sciences | 2D 3D TSV |
16143525 | 8 | Synthesis and biological evaluation of 1-amino-1,1-bisphosphonates derived from fatty acids against Trypanosoma cruzi targeting farnesyl pyrophosphate synthase. | Bioorg Med Chem Lett 15: 4685-90 (2005) | Universidad de Buenos Aires | 2D 3D TSV |
16143524 | 46 | Arylphthalazines: identification of a new phthalazine chemotype as inhibitors of VEGFR kinase. | Bioorg Med Chem Lett 15: 4696-8 (2005) | ImClone Systems | 2D 3D TSV |
16143522 | 27 | Bicyclic heteroarylpiperazines as selective brain penetrant 5-HT6 receptor antagonists. | Bioorg Med Chem Lett 15: 4867-71 (2005) | GlaxoSmithKline | 2D 3D TSV |
16143521 | 27 | Synthesis and evaluation of 3-anilino-quinoxalinones as glycogen phosphorylase inhibitors. | Bioorg Med Chem Lett 15: 4790-3 (2005) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
16143520 | 21 | Diamino-C,N-diarylpyridine positional isomers as inhibitors of lysophosphatidic acid acyltransferase-beta. | Bioorg Med Chem Lett 15: 4703-7 (2005) | Cell Therapeutics Inc | 2D 3D TSV |
16143519 | 22 | The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases. | Bioorg Med Chem Lett 16: 2337-40 (2006) | Pfizer Inc | 2D 3D TSV |
16140012 | 30 | Design and synthesis of 6-anilinoindazoles as selective inhibitors of c-Jun N-terminal kinase-3. | Bioorg Med Chem Lett 15: 5095-9 (2005) | AstraZeneca R&D Södertälje | 2D 3D TSV |
16140011 | 10 | Synthesis and pharmacological evaluation of Tic-hydantoin derivatives as selective sigma1 ligands. Part 1. | Bioorg Med Chem Lett 15: 4833-7 (2005) | Université de Lille II | 2D 3D TSV |
16140010 | 32 | Novel 3,4-diarylpyrazolines as potent cannabinoid CB1 receptor antagonists with lower lipophilicity. | Bioorg Med Chem Lett 15: 4794-8 (2005) | Solvay Pharma | 2D 3D TSV |
16140009 | 31 | Synthesis and pharmacological evaluation of Tic-hydantoin derivatives as selective sigma1 ligands. Part 2. | Bioorg Med Chem Lett 15: 4828-32 (2005) | Université de Lille II | 2D 3D TSV |
16139501 | 54 | Synthesis and evaluation of 18F-labeled dopamine D3 receptor ligands as potential PET imaging agents. | Bioorg Med Chem Lett 15: 4819-23 (2005) | University of Erlangen-Nuremberg | 2D 3D TSV |
16137886 | 88 | Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization. | Bioorg Med Chem Lett 15: 4411-6 (2005) | Merck Research Laboratories | 2D 3D TSV |
16137885 | 59 | Synthesis of new carbo- and heterocyclic analogues of 8-HETE and evaluation of their activity towards the PPARs. | Bioorg Med Chem Lett 15: 4421-6 (2005) | CNRS UMR 6052 | 2D 3D TSV |
16137884 | 6 | Design and synthesis of phthalimide-type histone deacetylase inhibitors. | Bioorg Med Chem Lett 15: 4427-31 (2005) | The University of Tokyo Yayoi | 2D 3D TSV |
16137883 | 84 | 1-Aryl-3,4-dihydro-1H-quinolin-2-one derivatives, novel and selective norepinephrine reuptake inhibitors. | Bioorg Med Chem Lett 15: 4432-7 (2005) | Eli Lilly and Company | 2D 3D TSV |
16137882 | 10 | Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds. | Bioorg Med Chem Lett 15: 4438-46 (2005) | Kadir Has University | 2D 3D TSV |
16137881 | 9 | 4-Phenylcoumarins as HIV transcription inhibitors. | Bioorg Med Chem Lett 15: 4447-50 (2005) | Instituto de Salud Carlos III | 2D 3D TSV |
16137879 | 16 | A chemical strategy to promote helical peptide-protein interactions involved in apoptosis. | Bioorg Med Chem Lett 15: 4467-9 (2005) | University of Illinois at Urbana-Champaign | 2D 3D TSV |
16135699 | 173 | Intrinsic efficacy of antipsychotics at human D2, D3, and D4 dopamine receptors: identification of the clozapine metabolite N-desmethylclozapine as a D2/D3 partial agonist. | J Pharmacol Exp Ther 315: 1278-87 (2005) | ACADIA Pharmaceuticals Inc | 2D 3D TSV |
16134951 | 67 | Discovery of potent, nonsystemic apical sodium-codependent bile acid transporter inhibitors (Part 2). | J Med Chem 48: 5853-68 (2005) | Pfizer Inc | 2D 3D TSV |
16134950 | 45 | Discovery of potent, nonsystemic apical sodium-codependent bile acid transporter inhibitors (Part 1). | J Med Chem 48: 5837-52 (2005) | Pharmacia | 2D 3D TSV |
16134949 | 50 | Novel potent antagonists of transient receptor potential channel, vanilloid subfamily member 1: structure-activity relationship of 1,3-diarylalkyl thioureas possessing new vanilloid equivalents. | J Med Chem 48: 5823-36 (2005) | Seoul National University | 2D 3D TSV |
16134948 | 15 | Synthesis and structure-activity relationship of a novel series of aminoalkylindoles with potential for imaging the neuronal cannabinoid receptor by positron emission tomography. | J Med Chem 48: 5813-22 (2005) | National Institute on Drug Abuse | 2D 3D TSV |
16134947 | 14 | Modifications to the tetracaine scaffold produce cyclic nucleotide-gated channel blockers with widely varying efficacies. | J Med Chem 48: 5805-12 (2005) | Oregon Health and Science University | 2D 3D TSV |
16134946 | 55 | 4-Oxo-4,7-dihydrothieno[2,3-b]pyridines as non-nucleoside inhibitors of human cytomegalovirus and related herpesvirus polymerases. | J Med Chem 48: 5794-804 (2005) | Pharmacia Corporation | 2D 3D TSV |
16134945 | 1 | Design and synthesis of tricyclic corticotropin-releasing factor-1 antagonists. | J Med Chem 48: 5780-93 (2005) | Neurocrine Biosciences Inc | 2D 3D TSV |
16134944 | 85 | Pharmacophore-guided drug discovery investigations leading to bioactive 5-aminotetrahydropyrazolopyridines. Implications for the binding mode of heterocyclic dopamine D3 receptor agonists. | J Med Chem 48: 5771-9 (2005) | Friedrich-Alexander University | 2D 3D TSV |
16134943 | 15 | E-ring modified steroids as novel potent inhibitors of 17beta-hydroxysteroid dehydrogenase type 1. | J Med Chem 48: 5749-70 (2005) | University of Bath | 2D 3D TSV |
16134942 | 19 | Conformationally constrained analogues of diacylglycerol (DAG). 25. Exploration of the sn-1 and sn-2 carbonyl functionality reveals the essential role of the sn-1 carbonyl at the lipid interface in the binding of DAG-lactones to protein kinase C. | J Med Chem 48: 5738-48 (2005) | National Cancer Institute-Frederick | 2D 3D TSV |
16134941 | 4 | Theoretical and experimental design of atypical kinase inhibitors: application to p38 MAP kinase. | J Med Chem 48: 5728-37 (2005) | Pfizer Inc | 2D 3D TSV |
16134940 | 20 | Carbonic anhydrase inhibitors: stacking with Phe131 determines active site binding region of inhibitors as exemplified by the X-ray crystal structure of a membrane-impermeant antitumor sulfonamide complexed with isozyme II. | J Med Chem 48: 5721-7 (2005) | Istituto di Biostrutture e Bioimmagini-CNR | 2D 3D TSV |
16134939 | 67 | Synthesis and biological activity of flurbiprofen analogues as selective inhibitors of beta-amyloid(1)(-)(42) secretion. | J Med Chem 48: 5705-20 (2005) | Chiesi Farmaceutici S.p.A. | 2D 3D TSV |
16134937 | 154 | 6-Acylamino-2-aminoquinolines as potent melanin-concentrating hormone 1 receptor antagonists. Identification, structure-activity relationship, and investigation of binding mode. | J Med Chem 48: 5684-97 (2005) | 7TM Pharma A/S | 2D 3D TSV |
16134935 | 119 | Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. | J Med Chem 48: 5666-74 (2005) | University of Basel | 2D 3D TSV |
16134934 | 4 | Factorizing selectivity determinants of inhibitor binding toward aldose and aldehyde reductases: structural and thermodynamic properties of the aldose reductase mutant Leu300Pro-fidarestat complex. | J Med Chem 48: 5659-65 (2005) | Institute of Genetics and Molecular and Cellular Biology (IGBMC) | 2D 3D TSV |
16134930 | 30 | 4-Aryl-1,2,3-triazole: a novel template for a reversible methionine aminopeptidase 2 inhibitor, optimized to inhibit angiogenesis in vivo. | J Med Chem 48: 5644-7 (2005) | GSK | 2D 3D TSV |
16134929 | 22 | Discovery of a (1H-benzoimidazol-2-yl)-1H-pyridin-2-one (BMS-536924) inhibitor of insulin-like growth factor I receptor kinase with in vivo antitumor activity. | J Med Chem 48: 5639-43 (2005) | Bristol-Myers Squibb Co. | 2D 3D TSV |
16134928 | 34 | Joys of molecules. 2. Endeavors in chemical biology and medicinal chemistry. | J Med Chem 48: 5613-38 (2005) | The Scripps Research Institute | 2D 3D TSV |
16125933 | 114 | Conformationally constrained N1-arylsulfonyltryptamine derivatives as 5-HT6 receptor antagonists. | Bioorg Med Chem Lett 15: 4780-5 (2005) | Wyeth Research | 2D 3D TSV |
16125392 | 15 | Lead optimization of 7-benzyloxy 2-(4'-pyridylmethyl)thio isoflavone aromatase inhibitors. | Bioorg Med Chem 13: 6571-7 (2005) | Ohio State University | 2D 3D TSV |
16125385 | 55 | The discovery of fluoropyridine-based inhibitors of the Factor VIIa/TF complex. | Bioorg Med Chem Lett 15: 4752-6 (2005) | Pfizer Inc | 2D 3D TSV |
16125384 | 109 | Design, synthesis, and structure-activity relationship of podocarpic acid amides as liver X receptor agonists for potential treatment of atherosclerosis. | Bioorg Med Chem Lett 15: 4574-8 (2005) | Merck Research Laboratories | 2D 3D TSV |
16125383 | 12 | Inhibition of Src kinase activity by 7-[(2,4-dichloro-5-methoxyphenyl)amino]-2-heteroaryl-thieno[3,2-b]pyridine-6-carbonitriles. | Bioorg Med Chem Lett 15: 4681-4 (2005) | Wyeth Research | 2D 3D TSV |
16124774 | 2 | Phaeochromycins A-E, anti-inflammatory polyketides isolated from the soil actinomycete Streptomyces phaeochromogenes LL-P018. | J Nat Prod 68: 1262-5 (2005) | Wyeth Research | 2D 3D TSV |
16124770 | 26 | Diterpenoid, steroid, and triterpenoid agonists of liver X receptors from diversified terrestrial plants and marine sources. | J Nat Prod 68: 1247-52 (2005) | Merck Research Laboratories | 2D 3D TSV |
16124769 | 6 | Sesterterpenoids, terretonins A-D, and an alkaloid, asterrelenin, from Aspergillus terreus. | J Nat Prod 68: 1243-6 (2005) | The Chinese Academy of Sciences | 2D 3D TSV |
16124768 | 4 | Iminosugar-producing Thai medicinal plants. | J Nat Prod 68: 1238-42 (2005) | Hokuriku University | 2D 3D TSV |
16116659 | 5 | A fragment-based approach to understanding inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase. | Chembiochem 6: 1866-74 (2005) | University of Bristol | 2D 3D TSV |
16115769 | 39 | Triaryl bis-sulfones as cannabinoid-2 receptor ligands: SAR studies. | Bioorg Med Chem Lett 15: 4417-20 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16115768 | 11 | New fluorinated pyrrolidine and azetidine amides as dipeptidyl peptidase IV inhibitors. | Bioorg Med Chem Lett 15: 4770-3 (2005) | Pfizer Inc | 2D 3D TSV |
16115767 | 64 | Cyclohexenyl- and dehydropiperidinyl-alkynyl pyridines as potent metabotropic glutamate subtype 5 (mGlu5) receptor antagonists. | Bioorg Med Chem Lett 15: 4589-93 (2005) | Merck Research Laboratories | 2D 3D TSV |
16112864 | 39 | Synthesis and evaluation of a series of tropane analogues as novel vesicular monoamine transporter-2 ligands. | Bioorg Med Chem Lett 15: 4463-6 (2005) | University of Kentucky | 2D 3D TSV |
16112862 | 9 | Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency. | Bioorg Med Chem Lett 15: 4515-9 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16112861 | 2 | Privileged structure-based ligands for melanocortin receptors-tetrahydroquinolines, indoles, and aminotetralines. | Bioorg Med Chem Lett 15: 4459-62 (2005) | Eli Lilly and Company | 2D 3D TSV |
16112859 | 6 | Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease. | Bioorg Med Chem Lett 15: 4475-8 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16112583 | 74 | Aza-bicyclic amino acid carboxamides as alpha4beta1/alpha4beta7 integrin receptor antagonists. | Bioorg Med Chem 13: 6693-702 (2005) | Johnson & Johnson Pharmaceutical | 2D 3D TSV |
16112571 | 93 | Trifluoromethyl group as a pharmacophore: effect of replacing a CF3 group on binding and agonist activity of a glucocorticoid receptor ligand. | Bioorg Med Chem Lett 15: 4761-9 (2005) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
16111887 | 104 | New dual inhibitors of EGFR and HER2 protein tyrosine kinases. | Bioorg Med Chem Lett 15: 4774-9 (2005) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
16107162 | 10 | From the potent and selective mu opioid receptor agonist H-Dmt-d-Arg-Phe-Lys-NH(2) to the potent delta antagonist H-Dmt-Tic-Phe-Lys(Z)-OH. | J Med Chem 48: 5608-11 (2005) | University of Cagliari | 2D 3D TSV |
16107159 | 106 | Novel 2,3-dihydrobenzofuran-2-carboxylic acids: highly potent and subtype-selective PPARalpha agonists with potent hypolipidemic activity. | J Med Chem 48: 5589-99 (2005) | Merck Research Laboratories | 2D 3D TSV |
16107158 | 60 | Novel 8-substituted dipyridodiazepinone inhibitors with a broad-spectrum of activity against HIV-1 strains resistant to non-nucleoside reverse transcriptase inhibitors. | J Med Chem 48: 5580-8 (2005) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
16107155 | 56 | Defunctionalized lobeline analogues: structure-activity of novel ligands for the vesicular monoamine transporter. | J Med Chem 48: 5551-60 (2005) | University of Kentucky | 2D 3D TSV |
16107154 | 41 | Inhibition of carboxylesterases by benzil (diphenylethane-1,2-dione) and heterocyclic analogues is dependent upon the aromaticity of the ring and the flexibility of the dione moiety. | J Med Chem 48: 5543-50 (2005) | St. Jude Children's Research Hospital | 2D 3D TSV |
16107153 | 10 | Structure of aldehyde reductase holoenzyme in complex with the potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity. | J Med Chem 48: 5536-42 (2005) | Monash University (Parkville Campus) | 2D 3D TSV |
16107152 | 16 | Structure-based optimization of phenylbutyrate-derived histone deacetylase inhibitors. | J Med Chem 48: 5530-5 (2005) | The Ohio State University | 2D 3D TSV |
16107150 | 39 | Synthesis, biological evaluation, and molecular modeling investigation of new chiral fibrates with PPARalpha and PPARgamma agonist activity. | J Med Chem 48: 5509-19 (2005) | Università degli Studi di Milano | 2D 3D TSV |
16107148 | 44 | New 5-hydroxytryptamine(1A) receptor ligands containing a norbornene nucleus: synthesis and in vitro pharmacological evaluation. | J Med Chem 48: 5495-503 (2005) | Università di Napoli "Federico II" | 2D 3D TSV |
16107147 | 8 | Development of a three-dimensional model for the N-methyl-D-aspartate NR2A subunit. | J Med Chem 48: 5489-94 (2005) | Universit£ degli Studi di Milano | 2D 3D TSV |
16107143 | 33 | A combination of docking, QM/MM methods, and MD simulation for binding affinity estimation of metalloprotein ligands. | J Med Chem 48: 5437-47 (2005) | North Dakota State University | 2D 3D TSV |
16107141 | 22 | Discovery of substituted maleimides as liver X receptor agonists and determination of a ligand-bound crystal structure. | J Med Chem 48: 5419-22 (2005) | GlaxoSmithKline | 2D 3D TSV |
16107139 | 12 | Indolin-2-ones with high in vivo efficacy in a model for multiple sclerosis. | J Med Chem 48: 5412-4 (2005) | Leo Pharma A/S | 2D 3D TSV |
16107138 | 1 | A molecular target for suppression of the evolution of antibiotic resistance: inhibition of the Escherichia coli RecA protein by N(6)-(1-naphthyl)-ADP. | J Med Chem 48: 5408-11 (2005) | University of North Carolina at Chapel Hill | 2D 3D TSV |
16107136 | 7 | Farnesoid X receptor: from structure to potential clinical applications. | J Med Chem 48: 5383-403 (2005) | Universit£ di Perugia | 2D 3D TSV |
16102966 | 55 | Discovery of novel, potent, and orally active spiro-urea human glucagon receptor antagonists. | Bioorg Med Chem Lett 15: 4564-9 (2005) | Merck Research Laboratories | 2D 3D TSV |
16102965 | 5 | A series of 5-(5,6)-dihydrouracil substituted 8-hydroxy-[1,6]naphthyridine-7-carboxylic acid 4-fluorobenzylamide inhibitors of HIV-1 integrase and viral replication in cells. | Bioorg Med Chem Lett 15: 4550-4 (2005) | Merck Research Laboratories | 2D 3D TSV |
16099653 | 28 | A new class of high affinity thyromimetics containing a phenyl-naphthylene core. | Bioorg Med Chem Lett 15: 4579-84 (2005) | Pharmaceutical Research Institute | 2D 3D TSV |
16099652 | 9 | Heteroaromatic side-chain analogs of pregabalin. | Bioorg Med Chem Lett 16: 2329-32 (2006) | PGRD Michigan Laboratories | 2D 3D TSV |
16099648 | 128 | 1,8-Naphthyridin-4-one derivatives as new ligands of A2A adenosine receptors. | Bioorg Med Chem Lett 15: 4604-10 (2005) | Dipartimento di Scienze Farmaceutiche | 2D 3D TSV |
16098744 | 18 | 4-Phenyl-1,2,3,6-tetrahydropyridine, an excellent fragment to improve the potency of PARP-1 inhibitors. | Bioorg Med Chem Lett 15: 4221-5 (2005) | Fujisawa Pharmaceutical Co., Ltd | 2D 3D TSV |
16098741 | 50 | ERbeta ligands. Part 4: Synthesis and structure-activity relationships of a series of 2-phenylquinoline derivatives. | Bioorg Med Chem Lett 15: 4520-5 (2005) | Wyeth Research | 2D 3D TSV |
16087337 | 6 | Synthesis and antibacterial activity of a novel series of DNA gyrase inhibitors: 5-[(E)-2-arylvinyl]pyrazoles. | Bioorg Med Chem Lett 15: 4299-303 (2005) | Dainippon Pharmaceutical Co., Ltd | 2D 3D TSV |
16087336 | 32 | Hydroxylated N-alkyl-4-piperidinyl-2,3-diarylpyrrole derivatives as potent broad-spectrum anticoccidial agents. | Bioorg Med Chem Lett 15: 4570-3 (2005) | Merck Research Laboratories | 2D 3D TSV |
16087333 | 50 | 8-Substituted 3,4-dihydroquinolinones as a novel scaffold for atypical antipsychotic activity. | Bioorg Med Chem Lett 15: 4560-3 (2005) | Pfizer Inc | 2D 3D TSV |
16087332 | 33 | Hepatitis C virus NS3-4A serine protease inhibitors: SAR of P'2 moiety with improved potency. | Bioorg Med Chem Lett 15: 4180-4 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16085416 | 45 | Synthesis and structure-activity relationship of N-alkyl Gly-boro-Pro inhibitors of DPP4, FAP, and DPP7. | Bioorg Med Chem Lett 15: 4239-42 (2005) | ActivX Biosciences Inc | 2D 3D TSV |
16085415 | 34 | Novel, selective indole-based ECE inhibitors: lead optimization via solid-phase and classical synthesis. | Bioorg Med Chem Lett 15: 4201-5 (2005) | Bayer HealthCare AG | 2D 3D TSV |
16085414 | 75 | Identification of ortho-amino benzamides and nicotinamides as MCHr1 antagonists. | Bioorg Med Chem Lett 15: 4174-9 (2005) | Abbott Laboratories | 2D 3D TSV |
16084722 | 55 | Boro-norleucine as a P1 residue for the design of selective and potent DPP7 inhibitors. | Bioorg Med Chem Lett 15: 4256-60 (2005) | ActivX Biosciences Inc | 2D 3D TSV |
16084720 | 83 | Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates. | Bioorg Med Chem Lett 15: 4345-9 (2005) | Wyeth Research | 2D 3D TSV |
16078855 | 20 | Novel immunomodulator FTY720 is phosphorylated in rats and humans to form a single stereoisomer. Identification, chemical proof, and biological characterization of the biologically active species and its enantiomer. | J Med Chem 48: 5373-7 (2005) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
16078854 | 4 | Design and synthesis of 4-(alpha-hydroxymalonyl)phenylalanine as a new phosphotyrosyl mimetic and its use in growth factor receptor bound 2 src-homology 2 (Grb2 SH2) domain-binding peptides. | J Med Chem 48: 5369-72 (2005) | National Cancer Institute-Frederick | 2D 3D TSV |
16078851 | 47 | High-affinity epidermal growth factor receptor (EGFR) irreversible inhibitors with diminished chemical reactivities as positron emission tomography (PET)-imaging agent candidates of EGFR overexpressing tumors. | J Med Chem 48: 5337-48 (2005) | Hadassah Hebrew University | 2D 3D TSV |
16078850 | 41 | Synthesis of classical, four-carbon bridged 5-substituted furo[2,3-d]pyrimidine and 6-substituted pyrrolo[2,3-d]pyrimidine analogues as antifolates. | J Med Chem 48: 5329-36 (2005) | Duquesne University | 2D 3D TSV |
16078849 | 2 | Novel fluorinated prodrugs for activation by carboxypeptidase G2 showing good in vivo antitumor activity in gene-directed enzyme prodrug therapy. | J Med Chem 48: 5321-8 (2005) | Institute of Cancer Research | 2D 3D TSV |
16078848 | 6 | Dipeptides as effective prodrugs of the unnatural amino acid (+)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid (LY354740), a selective group II metabotropic glutamate receptor agonist. | J Med Chem 48: 5305-20 (2005) | Eli Lilly and Company | 2D 3D TSV |
16078847 | 30 | Antidiabetic activity of passive nonsteroidal glucocorticoid receptor modulators. | J Med Chem 48: 5295-304 (2005) | Abbott Laboratories | 2D 3D TSV |
16078846 | 40 | Development of dual-acting benzofurans for thromboxane A2 receptor antagonist and prostacyclin receptor agonist: synthesis, structure-activity relationship, and evaluation of benzofuran derivatives. | J Med Chem 48: 5279-94 (2005) | Toray Industries Inc | 2D 3D TSV |
16078844 | 18 | Androsterone 3alpha-ether-3beta-substituted and androsterone 3beta-substituted derivatives as inhibitors of type 3 17beta-hydroxysteroid dehydrogenase: chemical synthesis and structure-activity relationship. | J Med Chem 48: 5257-68 (2005) | CHUQ-Pavillon CHUL and Universit£ Laval | 2D 3D TSV |
16078843 | 7 | A-ring-substituted estrogen-3-O-sulfamates: potent multitargeted anticancer agents. | J Med Chem 48: 5243-56 (2005) | University of Bath | 2D 3D TSV |
16078842 | 6 | A chiral benzoquinolizine-2-carboxylic acid arginine salt active against vancomycin-resistant Staphylococcus aureus. | J Med Chem 48: 5232-42 (2005) | Wockhardt Limited | 2D 3D TSV |
16078841 | 9 | 2-Acetylamino-3-[4-(2-acetylamino-2-carboxyethylsulfanylcarbonylamino)- phenylcarbamoylsulfanyl]propionic acid and its derivatives as a novel class of glutathione reductase inhibitors. | J Med Chem 48: 5224-31 (2005) | South Dakota State University | 2D 3D TSV |
16078840 | 94 | Discovery and structure-activity relationship of 3-aryl-5-aryl-1,2,4-oxadiazoles as a new series of apoptosis inducers and potential anticancer agents. | J Med Chem 48: 5215-23 (2005) | Maxim Pharmaceuticals Inc. | 2D 3D TSV |
16078837 | 34 | Structure-based design, synthesis, and memapsin 2 (BACE) inhibitory activity of carbocyclic and heterocyclic peptidomimetics. | J Med Chem 48: 5175-90 (2005) | Universite de Montreal at Succursale Centre-Ville | 2D 3D TSV |
16078836 | 13 | Novel, highly potent adenosine deaminase inhibitors containing the pyrazolo[3,4-d]pyrimidine ring system. Synthesis, structure-activity relationships, and molecular modeling studies. | J Med Chem 48: 5162-74 (2005) | Universit£ di Pisa | 2D 3D TSV |
16078833 | 37 | 6-aryl-8H-indeno[1,2-d]thiazol-2-ylamines: A1 adenosine receptor agonist allosteric enhancers having improved potency. | J Med Chem 48: 5131-9 (2005) | University of Virginia | 2D 3D TSV |
16078832 | 25 | Ligand selectivity for the acetylcholine binding site of the rat alpha4beta2 and alpha3beta4 nicotinic subtypes investigated by molecular docking. | J Med Chem 48: 5123-30 (2005) | Swiss Federal Institute of Technology Zurich | 2D 3D TSV |
16078830 | 12 | Discovery of cell-permeable non-peptide inhibitors of beta-secretase by high-throughput docking and continuum electrostatics calculations. | J Med Chem 48: 5108-11 (2005) | University of Zürich | 2D 3D TSV |
16078829 | 26 | Design and synthesis of tricyclic imidazo[4,5-b]pyridin-2-ones as corticotropin-releasing factor-1 antagonists. | J Med Chem 48: 5104-7 (2005) | Neurocrine Biosciences Inc | 2D 3D TSV |
16078828 | 25 | Discovery of potent poly(ADP-ribose) polymerase-1 inhibitors from the modification of indeno[1,2-c]isoquinolinone. | J Med Chem 48: 5100-3 (2005) | Inotek Pharmaceuticals Corporation | 2D 3D TSV |
16078827 | 2 | A positron emission tomography radioligand for the in vivo labeling of metabotropic glutamate 1 receptor: (3-ethyl-2-[11C]methyl-6-quinolinyl)(cis- 4-methoxycyclohexyl)methanone. | J Med Chem 48: 5096-9 (2005) | Columbia University College of Physicians and Surgeons | 2D 3D TSV |
16078826 | 7 | Synthesis and structure-activity relationship of novel 6-aryl-1,4-dihydrobenzo[d][1,3]oxazine-2-thiones as progesterone receptor modulators leading to the potent and selective nonsteroidal progesterone receptor agonist tanaproget. | J Med Chem 48: 5092-5 (2005) | Women's Health Research Institute | 2D 3D TSV |
16078825 | 8 | Design and synthesis of depeptidized macrocyclic inhibitors of hepatitis C NS3-4A protease using structure-based drug design. | J Med Chem 48: 5088-91 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16078824 | 48 | The endocannabinoid system: drug targets, lead compounds, and potential therapeutic applications. | J Med Chem 48: 5059-87 (2005) | Universit£ Catholique de Louvain | 2D 3D TSV |
16076937 | 5 | Characterization of a novel bivalent morphinan possessing kappa agonist and micro agonist/antagonist properties. | J Pharmacol Exp Ther 315: 821-7 (2005) | University of Rochester | 2D 3D TSV |
16061379 | 32 | Analogs of a potent maxi-K potassium channel opener with an improved inhibitory profile toward cytochrome P450 isozymes. | Bioorg Med Chem Lett 15: 4286-90 (2005) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
16061378 | 87 | SAR of psilocybin analogs: discovery of a selective 5-HT 2C agonist. | Bioorg Med Chem Lett 15: 4555-9 (2005) | Organix Inc | 2D 3D TSV |
16055332 | 18 | 5-Substituted 4-anilinoquinazolines as potent, selective and orally active inhibitors of erbB2 receptor tyrosine kinase. | Bioorg Med Chem Lett 15: 4226-9 (2005) | AstraZeneca | 2D 3D TSV |
16055331 | 45 | 2-Alkyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indoles as novel 5-HT6 receptor agonists. | Bioorg Med Chem Lett 15: 4230-4 (2005) | Carlsson Research AB | 2D 3D TSV |
16054361 | 17 | Cyclic sulfamide gamma-secretase inhibitors. | Bioorg Med Chem Lett 15: 4212-6 (2005) | Merck Sharp and Dohme Research Laboratories | 2D 3D TSV |
16054360 | 4 | Design and synthesis of a novel peptidomimetic inhibitor of HIV-1 Tat-TAR interactions: squaryldiamide as a new potential bioisostere of unsubstituted guanidine. | Bioorg Med Chem Lett 15: 4243-6 (2005) | University of Massachusetts Medical School | 2D 3D TSV |
16054357 | 3 | Synthesis and antipicornavirus activity of (R)- and (S)-1-[5-(4'-chlorobiphenyl-4-yloxy)-3-methylpentyl]-3-pyridin-4-yl-imidazolidin-2-one. | Bioorg Med Chem Lett 15: 4206-11 (2005) | National Health Research Institutes | 2D 3D TSV |
16051698 | 5 | Characterization of isoprenaline- and salmeterol-stimulated interactions between beta2-adrenoceptors and beta-arrestin 2 using beta-galactosidase complementation in C2C12 cells. | J Pharmacol Exp Ther 315: 839-48 (2005) | Institute of Cell Signaling | 2D 3D TSV |
16051487 | 42 | Synthesis and in vitro pharmacological studies of C(4) modified salvinorin A analogues. | Bioorg Med Chem Lett 15: 4169-73 (2005) | Harvard Medical School | 2D 3D TSV |
16046538 | 84 | Inhibition of drug-resistant mutants of ABL, KIT, and EGF receptor kinases. | Proc Natl Acad Sci U S A 102: 11011-6 (2005) | Ambit, Inc. | 2D 3D TSV |
16046129 | 18 | Synthesis and evaluation of tricyclic pyrrolopyrimidinones as dipeptide mimetics: inhibition of interleukin-1beta-converting enzyme. | Bioorg Med Chem Lett 15: 4322-6 (2005) | Procter & Gamble Pharmaceuticals | 2D 3D TSV |
16046125 | 18 | Discovery of novel conformationally restricted diazocan peptidomimetics as inhibitors of interleukin-1beta synthesis. | Bioorg Med Chem Lett 15: 4291-4 (2005) | Procter & Gamble Pharmaceuticals Inc | 2D 3D TSV |
16046123 | 41 | Discovery and structure-activity relationships of novel sulfonamides as potent PTP1B inhibitors. | Bioorg Med Chem Lett 15: 4336-41 (2005) | Affymax, Inc. | 2D 3D TSV |
16046120 | 16 | Diprolyl nitriles as potent dipeptidyl peptidase IV inhibitors. | Bioorg Med Chem Lett 15: 3992-5 (2005) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
16040814 | 32 | Fenobam: a clinically validated nonbenzodiazepine anxiolytic is a potent, selective, and noncompetitive mGlu5 receptor antagonist with inverse agonist activity. | J Pharmacol Exp Ther 315: 711-21 (2005) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
16039855 | 30 | Dipyridyl amines: potent metabotropic glutamate subtype 5 receptor antagonists. | Bioorg Med Chem Lett 15: 4350-3 (2005) | Merck Research Laboratories | 2D 3D TSV |
16039854 | 31 | 3-(2-Aminoethyl)pyridine analogs as alpha4beta2 nicotinic cholinergic receptor ligands. | Bioorg Med Chem Lett 15: 4308-12 (2005) | Virginia Commonwealth University | 2D 3D TSV |
16039853 | 89 | Carbonic anhydrase inhibitors: design of thioureido sulfonamides with potent isozyme II and XII inhibitory properties and intraocular pressure lowering activity in a rabbit model of glaucoma. | Bioorg Med Chem Lett 15: 3821-7 (2005) | Universita degli Studi | 2D 3D TSV |
16039851 | 57 | 8-Piperazinyl-2,3-dihydropyrrolo[3,2-g]isoquinolines: potent, selective, orally bioavailable 5-HT1 receptor ligands. | Bioorg Med Chem Lett 15: 4370-4 (2005) | GlaxoSmithKline | 2D 3D TSV |
16039849 | 84 | Epibatidine analogues as selective ligands for the alpha(x)beta2-containing subtypes of nicotinic acetylcholine receptors. | Bioorg Med Chem Lett 15: 4385-8 (2005) | Columbia University College of Physicians and Surgeons | 2D 3D TSV |
16039848 | 93 | Carbonic anhydrase inhibitors: inhibition of the transmembrane isozyme XIV with sulfonamides. | Bioorg Med Chem Lett 15: 3828-33 (2005) | Kochi Medical School | 2D 3D TSV |
16039528 | 16 | Defining Cdk5 ligand chemical space with small molecule inhibitors of tau phosphorylation. | Chem Biol 12: 811-23 (2005) | Harvard Medical School | 2D 3D TSV |
16039123 | 32 | Synthesis of tripeptides as potent Yersinia protein tyrosine phosphatase inhibitors. | Bioorg Med Chem Lett 15: 4037-42 (2005) | NIH | 2D 3D TSV |
16039122 | 9 | Influence of acid surrogates toward potency of VLA-4 antagonist. | Bioorg Med Chem Lett 15: 4053-6 (2005) | Merck Research Laboratories | 2D 3D TSV |
16039120 | 4 | Inhibition of mandelate racemase by the substrate-intermediate-product analogue 1,1-diphenyl-1-hydroxymethylphosphonate. | Bioorg Med Chem Lett 15: 4342-4 (2005) | Dalhousie University | 2D 3D TSV |
16039119 | 35 | Structure-activity relationships of 1-alkyl-5-(3,4-dichlorophenyl)-5-{2-[3-(substituted)-1-azetidinyl]-ethyl}-2-piperidones. Part 2: Improving oral absorption. | Bioorg Med Chem Lett 15: 3957-61 (2005) | Pfizer Inc | 2D 3D TSV |
16038560 | 2 | Structural revision of aspernigrin A, reisolated from Cladosporium herbarum IFB-E002. | J Nat Prod 68: 1106-8 (2005) | Nanjing University | 2D 3D TSV |
16038553 | 2 | Latifolians A and B, novel JNK3 kinase inhibitors from the Papua New Guinean plant Gnetum latifolium. | J Nat Prod 68: 1080-2 (2005) | Griffith University | 2D 3D TSV |
16038549 | 20 | Nocardimicins A, B, C, D, E, and F, siderophores with muscarinic M3 receptor inhibiting activity from Nocardia sp. TP-A0674. | J Nat Prod 68: 1061-5 (2005) | Mitsubishi Pharma Corporation | 2D 3D TSV |
16038536 | 88 | Expanding the ChemGPS chemical space with natural products. | J Nat Prod 68: 985-91 (2005) | Uppsala University | 2D 3D TSV |
16038535 | 5 | Acylphloroglucinol derivatives from Mahurea palustris. | J Nat Prod 68: 979-84 (2005) | National Center for Scientific Research (CNRS)-Pierre Fabre | 2D 3D TSV |
16033285 | 24 | Effect of a 6-cyano substituent in 14-oxygenated N-methylmorphinans on opioid receptor binding and antinociceptive potency. | J Med Chem 48: 5052-5 (2005) | University of Innsbruck | 2D 3D TSV |
16033281 | 19 | Discovery and preclinical profile of Saxagliptin (BMS-477118): a highly potent, long-acting, orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. | J Med Chem 48: 5025-37 (2005) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
16033279 | 47 | New 2-arylpyrazolo[4,3-c]quinoline derivatives as potent and selective human A3 adenosine receptor antagonists. | J Med Chem 48: 5001-8 (2005) | Università di Ferrara | 2D 3D TSV |
16033276 | 20 | Synthesis and radioligand binding studies of C-5- and C-8-substituted 1-(3,4-dimethoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinoliniums as SK channel blockers related to N-methyl-laudanosine and N-methyl-noscapine. | J Med Chem 48: 4972-82 (2005) | University of Li£ge | 2D 3D TSV |
16033275 | 7 | Discovery of novel trisubstituted asymmetric derivatives of (2S,4R,5R)-2-benzhydryl-5-benzylaminotetrahydropyran-4-ol, exhibiting high affinity for serotonin and norepinephrine transporters in a stereospecific manner. | J Med Chem 48: 4962-71 (2005) | Wayne State University | 2D 3D TSV |
16033272 | 6 | Synthesis and structure-activity relationships of a new series of retinoid-related biphenyl-4-ylacrylic acids endowed with antiproliferative and proapoptotic activity. | J Med Chem 48: 4931-46 (2005) | Università di Milano | 2D 3D TSV |
16033271 | 81 | Synthesis, structure-activity relationships, and biological evaluation of fatty alcohol phosphates as lysophosphatidic acid receptor ligands, activators of PPARgamma, and inhibitors of autotaxin. | J Med Chem 48: 4919-30 (2005) | University of Tennessee Health Science Center | 2D 3D TSV |
16033270 | 44 | "Reversine" and its 2-substituted adenine derivatives as potent and selective A3 adenosine receptor antagonists. | J Med Chem 48: 4910-8 (2005) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
16033269 | 98 | Synthesis and structure-activity relationships of pyrazine-pyridine biheteroaryls as novel, potent, and selective vascular endothelial growth factor receptor-2 inhibitors. | J Med Chem 48: 4892-909 (2005) | Johnson & Johnson Pharmaceutical | 2D 3D TSV |
16033267 | 15 | Structure-based design, synthesis, and biological evaluation of inhibitors of Mycobacterium tuberculosis type II dehydroquinase. | J Med Chem 48: 4871-81 (2005) | Universidad de Santiago de Compostela | 2D 3D TSV |
16033265 | 33 | Iterative approach to the discovery of novel degarelix analogues: substitutions at positions 3, 7, and 8. Part II. | J Med Chem 48: 4851-60 (2005) | Salk Institute | 2D 3D TSV |
16033264 | 48 | Combination of molecular modeling, site-directed mutagenesis, and SAR studies to delineate the binding site of pyridopyrimidine antagonists on the human CCK1 receptor. | J Med Chem 48: 4842-50 (2005) | Instituto de Química Médica (CSIC) | 2D 3D TSV |
16033263 | 51 | Carbonic anhydrase inhibitors. Design of fluorescent sulfonamides as probes of tumor-associated carbonic anhydrase IX that inhibit isozyme IX-mediated acidification of hypoxic tumors. | J Med Chem 48: 4834-41 (2005) | Università degli Studi di Firenze | 2D 3D TSV |
16033261 | 25 | Control of protein-protein interactions: structure-based discovery of low molecular weight inhibitors of the interactions between Pin1 WW domain and phosphopeptides. | J Med Chem 48: 4815-23 (2005) | CNRS-University of Lille 2 UMR 8525 | 2D 3D TSV |
16033259 | 7 | Inhibitors of Trypanosoma cruzi trypanothione reductase revealed by virtual screening and parallel synthesis. | J Med Chem 48: 4793-802 (2005) | Universit£t Heidelberg | 2D 3D TSV |
16033258 | 51 | Structural analysis of isoform-specific inhibitors targeting the tetrahydrobiopterin binding site of human nitric oxide synthases. | J Med Chem 48: 4783-92 (2005) | Sanofi-Aventis | 2D 3D TSV |
16033257 | 52 | Dicarboxylic acid azacycle l-prolyl-pyrrolidine amides as prolyl oligopeptidase inhibitors and three-dimensional quantitative structure-activity relationship of the enzyme-inhibitor interactions. | J Med Chem 48: 4772-82 (2005) | University of Kuopio | 2D 3D TSV |
16033256 | 57 | Neoclerodane diterpenes as a novel scaffold for mu opioid receptor ligands. | J Med Chem 48: 4765-71 (2005) | The University of Iowa | 2D 3D TSV |
16033255 | 134 | Discovery of high-affinity ligands of sigma1 receptor, ERG2, and emopamil binding protein by pharmacophore modeling and virtual screening. | J Med Chem 48: 4754-64 (2005) | University of Innsbruck | 2D 3D TSV |
16033254 | 7 | Rational design of non-nucleoside, potent, and orally bioavailable adenosine deaminase inhibitors: predicting enzyme conformational change and metabolism. | J Med Chem 48: 4750-3 (2005) | Fujisawa Pharmaceutical Co., Ltd | 2D 3D TSV |
16033253 | 27 | Biaryl ureas as potent and orally efficacious melanin concentrating hormone receptor 1 antagonists for the treatment of obesity. | J Med Chem 48: 4746-9 (2005) | Schering-Plough Research Institute | 2D 3D TSV |
16033252 | 84 | Neuronal nicotinic acetylcholine receptors: structural revelations, target identifications, and therapeutic inspirations. | J Med Chem 48: 4705-45 (2005) | The Danish University of Pharmaceutical Sciences | 2D 3D TSV |
16028929 | 17 | Terphenyl-Based Bak BH3 alpha-helical proteomimetics as low-molecular-weight antagonists of Bcl-xL. | J Am Chem Soc 127: 10191-6 (2005) | Yale University | 2D 3D TSV |
16023344 | 120 | Lipophilic versus hydrogen-bonding effect in P3 on potency and selectivity of valine aspartyl ketones as caspase 3 inhibitors. | Bioorg Med Chem Lett 15: 3886-90 (2005) | Merck Frosst Canada & Co. | 2D 3D TSV |
16019211 | 14 | Ligands with dual vitamin D3-agonistic and androgen-antagonistic activities. | Bioorg Med Chem Lett 15: 4327-31 (2005) | The University of Tokyo | 2D 3D TSV |
16014807 | 11 | Characterization of novel aryl-ether, biaryl, and fluorene aspartic acid and diaminopropionic acid analogs as potent inhibitors of the high-affinity glutamate transporter EAAT2. | Mol Pharmacol 68: 974-82 (2005) | Wyeth Research | 2D 3D TSV |
16005627 | 5 | Synthesis and preliminary biological evaluation of new anti-tubulin agents containing different benzoheterocycles. | Bioorg Med Chem Lett 15: 4048-52 (2005) | Universitá di Ferrara | 2D 3D TSV |
16005625 | 162 | Discovery of hydroxamic acid analogs as dual inhibitors of phosphodiesterase-1 and -5. | Bioorg Med Chem Lett 15: 4085-90 (2005) | Sumitomo Pharmaceuticals Co., Ltd | 2D 3D TSV |
16005624 | 97 | Design and syntheses of melanocortin subtype-4 receptor agonists. Part 2: discovery of the dihydropyridazinone motif. | Bioorg Med Chem Lett 15: 4023-8 (2005) | Merck Research Laboratories | 2D 3D TSV |
16005225 | 30 | 1-(4-Amino-phenyl)-pyrrolidin-3-yl-amine and 6-(3-amino-pyrrolidin-1-yl)-pyridin-3-yl-amine derivatives as melanin-concentrating hormone receptor-1 antagonists. | Bioorg Med Chem Lett 15: 3701-6 (2005) | Neurocrine Biosciences Inc | 2D 3D TSV |
16005224 | 72 | Identification of potent type I MetAPs inhibitors by simple bioisosteric replacement. Part 2: SAR studies of 5-heteroalkyl substituted TCAT derivatives. | Bioorg Med Chem Lett 15: 4130-5 (2005) | Shanghai Graduate School of the Chinese Academy of Sciences | 2D 3D TSV |
16005223 | 64 | 1-Pentyl-3-phenylacetylindoles, a new class of cannabimimetic indoles. | Bioorg Med Chem Lett 15: 4110-3 (2005) | Clemson University | 2D 3D TSV |
16005222 | 26 | Benzazoles as allosteric potentiators of metabotropic glutamate receptor 2 (mGluR2): efficacy in an animal model for schizophrenia. | Bioorg Med Chem Lett 15: 4068-72 (2005) | Merck Research Laboratories | 2D 3D TSV |
16005220 | 52 | Identification of potent and selective MMP-13 inhibitors. | Bioorg Med Chem Lett 15: 4105-9 (2005) | Wyeth Research | 2D 3D TSV |
16005216 | 20 | The characterization of a novel rigid nicotine analog with alpha7-selective nAChR agonist activity and modulation of agonist properties by boron inclusion. | Bioorg Med Chem Lett 15: 3874-80 (2005) | University of Florida | 2D 3D TSV |
16005215 | 39 | Analysis of structure-activity relationships for the 'A-region' of N-(4-t-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as TRPV1 antagonists. | Bioorg Med Chem Lett 15: 4136-42 (2005) | Seoul National University | 2D 3D TSV |
16005212 | 56 | Inhibition of tumor cell proliferation by thieno[2,3-d]pyrimidin-4(1H)-one-based analogs. | Bioorg Med Chem Lett 15: 3763-6 (2005) | Wyeth Research | 2D 3D TSV |
16004505 | 28 | High-speed synthesis of potent C2-symmetric HIV-1 protease inhibitors by in-situ aminocarbonylations. | J Comb Chem 7: 611-7 (2005) | Uppsala University | 2D 3D TSV |
16002291 | 24 | Structure-based design and synthesis of novel non-zinc chelating MMP-12 inhibitors. | Bioorg Med Chem Lett 15: 3787-90 (2005) | Pfizer Inc | 2D 3D TSV |
16002290 | 66 | Lead optimization of 4-(dimethylamino)quinazolines, potent and selective antagonists for the melanin-concentrating hormone receptor 1. | Bioorg Med Chem Lett 15: 3853-6 (2005) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
16002289 | 65 | Discovery of a potent and selective 5-ht5A receptor antagonist by high-throughput chemistry. | Bioorg Med Chem Lett 15: 4014-8 (2005) | GlaxoSmithKline | 2D 3D TSV |
16002287 | 9 | Phenylpyrroles, a new chemolibrary virtual screening class of 5-HT7 receptor ligands. | Bioorg Med Chem Lett 15: 3753-7 (2005) | Université de Caen | 2D 3D TSV |
16002283 | 12 | New HIV-1 replication inhibitors of the styryquinoline class bearing aroyl/acyl groups at the C-7 position: synthesis and biological activity. | Bioorg Med Chem Lett 15: 4019-22 (2005) | Unité Associée au CNRS | 2D 3D TSV |
16000006 | 59 | New pyrrolo[2,1-f]purine-2,4-dione and imidazo[2,1-f]purine-2,4-dione derivatives as potent and selective human A3 adenosine receptor antagonists. | J Med Chem 48: 4697-701 (2005) | Università di Ferrara | 2D 3D TSV |
16000004 | 34 | Second generation transition state analogue inhibitors of human 5'-methylthioadenosine phosphorylase. | J Med Chem 48: 4679-89 (2005) | Industrial Research Limited | 2D 3D TSV |
16000002 | 22 | The taming of capsaicin. Reversal of the vanilloid activity of N-acylvanillamines by aromatic iodination. | J Med Chem 48: 4663-9 (2005) | University of Piemonte Orientale | 2D 3D TSV |
16000000 | 188 | Synthesis and structure-activity relationships of soluble 7-substituted 3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-2-amines and related ureas as dual inhibitors of the fibroblast growth factor receptor-1 and vascular endothelial growth factor receptor-2 tyrosine kinases. | J Med Chem 48: 4628-53 (2005) | University of Auckland | 2D 3D TSV |