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14998342 73 Structure-activity relationships of potent, selective inhibitors of neuronal nitric oxide synthase based on the 6-phenyl-2-aminopyridine structure.EBI J Med Chem 47: 1575-86 (2004) Pfizer Global Research and Development 2D 3D TSV
14998340 15 3-(4-phenoxyphenyl)pyrazoles: a novel class of sodium channel blockers.EBI J Med Chem 47: 1547-52 (2004) Purdue Pharma L.P. 2D 3D TSV
14998339 22 First reported nonpeptide AT1 receptor agonist (L-162,313) acts as an AT2 receptor agonist in vivo.EBI J Med Chem 47: 1536-46 (2004) Uppsala University 2D 3D TSV
14998337 68 De novo design, synthesis, and pharmacology of alpha-melanocyte stimulating hormone analogues derived from somatostatin by a hybrid approach.EBI J Med Chem 47: 1514-26 (2004) University of Arizona 2D 3D TSV
14998335 69 New 2,4-diamino-5-(2',5'-substituted benzyl)pyrimidines as potential drugs against opportunistic infections of AIDS and other immune disorders. Synthesis and species-dependent antifolate activity.EBI J Med Chem 47: 1475-86 (2004) Harvard Medical School 2D 3D TSV
14998332 328 Design, synthesis, and biological evaluation of new 8-heterocyclic xanthine derivatives as highly potent and selective human A2B adenosine receptor antagonists.EBI J Med Chem 47: 1434-47 (2004) Universit£ di Ferrara 2D 3D TSV
14998329 142 Identification of opioid ligands possessing mixed micro agonist/delta antagonist activity among pyridomorphinans derived from naloxone, oxymorphone, and hydromorphone [correction of hydropmorphone].EBI J Med Chem 47: 1400-12 (2004) Southern Research Institute 2D 3D TSV
14998327 12 Structure-based optimization of novel azepane derivatives as PKB inhibitors.BDB J Med Chem 47: 1375-90 (2004) Roche Diagnostics GmbH 2D 3D TSV
14998325 15 3-(4-Aroyl-1-methyl-1H-pyrrol-2-yl)-N-hydroxy-2-propenamides as a new class of synthetic histone deacetylase inhibitors. 3. Discovery of novel lead compounds through structure-based drug design and docking studies.EBI J Med Chem 47: 1351-9 (2004) Università degli Studi di Roma "La Sapienza" 2D 3D TSV
14998324 190 Design and synthesis of new templates derived from pyrrolopyrimidine as selective multidrug-resistance-associated protein inhibitors in multidrug resistance.EBI J Med Chem 47: 1339-50 (2004) Xenova Ltd. 2D 3D TSV
14998323 79 Studies on pyrrolopyrimidines as selective inhibitors of multidrug-resistance-associated protein in multidrug resistance.EBI J Med Chem 47: 1329-38 (2004) Xenova Ltd. 2D 3D TSV
14998322 3 Crystal structures of Staphylococcusaureus methionine aminopeptidase complexed with keto heterocycle and aminoketone inhibitors reveal the formation of a tetrahedral intermediate.BDB J Med Chem 47: 1325-8 (2004) Morphochem AG 2D 3D TSV
14998321 1 Synthesis of a potent transition-state inhibitor of 5'-deoxy-5'-methylthioadenosine phosphorylase.EBI J Med Chem 47: 1322-4 (2004) BioCryst Pharmaceuticals Inc. 2D 3D TSV
14998320 16 Evaluation of potent and selective small-molecule antagonists for the CXCR2 chemokine receptor.EBI J Med Chem 47: 1319-21 (2004) GlaxoSmithKline 2D 3D TSV
14998319 22 A non-peptide NK1 receptor agonist showing subpicomolar affinity.EBI J Med Chem 47: 1315-8 (2004) Università degli Studi di Siena 2D 3D TSV
14998318 112 Selective optimization of side activities: another way for drug discovery.EBI J Med Chem 47: 1303-14 (2004) Prestwick Chemical Inc. 2D 3D TSV
14996743 4 Crystal structures of prostaglandin D(2) 11-ketoreductase (AKR1C3) in complex with the nonsteroidal anti-inflammatory drugs flufenamic acid and indomethacin.BDB Cancer Res 64: 1802-10 (2004) The University of Birmingham 2D 3D TSV
14993260 2 FE200041 (D-Phe-D-Phe-D-Nle-D-Arg-NH2): A peripheral efficacious kappa opioid agonist with unprecedented selectivity.BDB J Pharmacol Exp Ther 310: 326-33 (2004) University of Arizona 2D 3D TSV
14987072 1 Biologically active compounds from Aphyllophorales (polypore) fungi.EBI J Nat Prod 67: 300-10 (2004) The University of Mississippi 2D 3D TSV
14985418 20 In vitro characterization of 5-carboxyl-2,4-di-benzamidobenzoic acid (NS3763), a noncompetitive antagonist of GLUK5 receptors.BDB J Pharmacol Exp Ther 309: 1003-10 (2004) NeuroSearch A/S 2D 3D TSV
14981513 6 VX-680, a potent and selective small-molecule inhibitor of the Aurora kinases, suppresses tumor growth in vivo.BDB Nat Med 10: 262-7 (2004) Vertex Pharmaceuticals (Europe) Limited 2D 3D TSV
14980696 47 Design and synthesis of novel small molecule N/OFQ receptor antagonists.EBI Bioorg Med Chem Lett 14: 1347-51 (2004) Purdue Pharma L.P. 2D 3D TSV
14980695 14 A series of heterocyclic inhibitors of phenylalanyl-tRNA synthetases with antibacterial activity.EBI Bioorg Med Chem Lett 14: 1343-6 (2004) Cubist Pharmaceuticals Inc. 2D 3D TSV
14980694 63 A series of spirocyclic analogues as potent inhibitors of bacterial phenylalanyl-tRNA synthetases.EBI Bioorg Med Chem Lett 14: 1339-42 (2004) Cubist Pharmaceuticals Inc. 2D 3D TSV
14980693 6 Synthesis, topoisomerase I inhibition and structure-activity relationship study of 2,4,6-trisubstituted pyridine derivatives.EBI Bioorg Med Chem Lett 14: 1333-7 (2004) Liaoning Normal University 2D 3D TSV
14980691 15 Orally active PDE4 inhibitors with therapeutic potential.EBI Bioorg Med Chem Lett 14: 1323-7 (2004) Minase Research Institute, Ono Pharmaceutical Co. Ltd., 3-1-1 Sakurai, Shimamoto, Mishima, Osaka 618-8585, Japan. 2D 3D TSV
14980690 12 Comparison of 2-phenylspiroindenes and 2-phenylspiroindenediones as estrogen receptor ligands--modeling and binding data don't agree!EBI Bioorg Med Chem Lett 14: 1317-21 (2004) Merck Research Laboratories 2D 3D TSV
14980686 50 Penicillin-derived inhibitors that simultaneously target both metallo- and serine-beta-lactamases.EBI Bioorg Med Chem Lett 14: 1299-304 (2004) Southern Methodist University 2D 3D TSV
14980685 37 Synthesis and biological evaluation of 6-aryl-6H-pyrrolo[3,4-d]pyridazine derivatives: high-affinity ligands to the alpha 2 delta subunit of voltage gated calcium channels.EBI Bioorg Med Chem Lett 14: 1295-8 (2004) Merck Research Laboratories 2D 3D TSV
14980684 52 SAR development of polycyclic guanine derivatives targeted to the discovery of a selective PDE5 inhibitor for treatment of erectile dysfunction.EBI Bioorg Med Chem Lett 14: 1291-4 (2004) Schering-Plough Research Institute 2D 3D TSV
14980679 30 Dipeptidyl aspartyl fluoromethylketones as potent caspase-3 inhibitors: SAR of the P2 amino acid.EBI Bioorg Med Chem Lett 14: 1269-72 (2004) Maxim Pharmaceuticals 2D 3D TSV
14980678 88 Fluoropyrrolidine amides as dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 14: 1265-8 (2004) Merck Research Laboratories 2D 3D TSV
14980673 54 Novel non-peptidic neuropeptide Y Y2 receptor antagonists.EBI Bioorg Med Chem Lett 14: 1239-42 (2004) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
14980671 78 1-(2-Naphthyl)-1H-pyrazole-5-carboxylamides as potent factor Xa inhibitors. Part 3: Design, synthesis and SAR of orally bioavailable benzamidine-P4 inhibitors.EBI Bioorg Med Chem Lett 14: 1229-34 (2004) Millennium Pharmaceuticals Inc. 2D 3D TSV
14980670 107 1-(2-Naphthyl)-1H-pyrazole-5-carboxylamides as potent factor Xa inhibitors. Part 2: A survey of P4 motifs.EBI Bioorg Med Chem Lett 14: 1221-7 (2004) Millennium Pharmaceuticals Inc. 2D 3D TSV
14980668 20 Subtype selective NMDA receptor antagonists: evaluation of some novel alkynyl analogues.EBI Bioorg Med Chem Lett 14: 1213-6 (2004) Pfizer Global Research and Development 2D 3D TSV
14980666 12 Design and synthesis of photoactivatable aryl diketo acid-containing HIV-1 integrase inhibitors as potential affinity probes.EBI Bioorg Med Chem Lett 14: 1205-7 (2004) NCI-Frederick 2D 3D TSV
14980665 33 Evaluation of loxoprofen and its alcohol metabolites for potency and selectivity of inhibition of cyclooxygenase-2.EBI Bioorg Med Chem Lett 14: 1201-3 (2004) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
14980664 48 Design and synthesis of benzoxazole derivatives as novel melatoninergic ligands.EBI Bioorg Med Chem Lett 14: 1197-200 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14980663 8 Novel quinazoline-quinoline alkaloids with cytotoxic and DNA topoisomerase II inhibitory activities.EBI Bioorg Med Chem Lett 14: 1193-6 (2004) Faculty of Pharmaceutical Sciences, Toho University, 2-2-1 Miyama, Funabashi, Chiba 274-8510, Japan. zhongze_ma@hms.harvard.edu 2D 3D TSV
14980661 6 A novel class of apical sodium-dependent bile acid transporter inhibitors: the amphiphilic 4-oxo-1-phenyl-1,4-dihydroquinoline derivatives.EBI Bioorg Med Chem Lett 14: 1183-6 (2004) Sankyo Co. Ltd 2D 3D TSV
14980654 26 Potent imidazole and triazole CB1 receptor antagonists related to SR141716.EBI Bioorg Med Chem Lett 14: 1151-4 (2004) Neurocrine Biosciences Inc. 2D 3D TSV
14980648 16 New heteroarylbenzenesulphonamides as matrix metalloproteinase inhibitors.EBI Bioorg Med Chem Lett 14: 1119-21 (2004) Universit£ des Sciences et Technologies de Lille 2D 3D TSV
14978359 25 Interactions of human- and rat-organic anion transporters with pravastatin and cimetidine.EBI J Pharmacol Sci 94: 197-202 (2004) Kyorin University School of Medicine 2D 3D TSV
14978194 63 S32504, a novel naphtoxazine agonist at dopamine D3/D2 receptors: I. Cellular, electrophysiological, and neurochemical profile in comparison with ropinirole.BDB J Pharmacol Exp Ther 309: 903-20 (2004) Institut de Recherches Servier 2D 3D TSV
14971907 180 Carbonic anhydrase inhibitors. Inhibition of mitochondrial isozyme V with aromatic and heterocyclic sulfonamides.BDB J Med Chem 47: 1272-9 (2004) Universita degli Studi di Firenze 2D 3D TSV
14971906 74 Synthesis and structure-activity relationships of 1-arylmethyl-5-aryl-6-methyluracils as potent gonadotropin-releasing hormone receptor antagonists.EBI J Med Chem 47: 1259-71 (2004) Neurocrine Biosciences, Inc. 2D 3D TSV
14971903 17 Chemical and functional identification and characterization of novel sulfated alpha-conotoxins from the cone snail Conus anemone.EBI J Med Chem 47: 1234-41 (2004) The University of Queensland 2D 3D TSV
14971900 5 Synthesis of 2',5'-dideoxy-2-fluoroadenosine and 2',5'-dideoxy-2,5'-difluoroadenosine: potent P-site inhibitors of adenylyl cyclase.EBI J Med Chem 47: 1207-13 (2004) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
14971897 3 Novel benzophenones as non-nucleoside reverse transcriptase inhibitors of HIV-1.EBI J Med Chem 47: 1175-82 (2004) GlaxoSmithKline Inc. 2D 3D TSV
14971895 162 Structure-activity studies of orexin a and orexin B at the human orexin 1 and orexin 2 receptors led to orexin 2 receptor selective and orexin 1 receptor preferring ligands.EBI J Med Chem 47: 1153-60 (2004) University of Leipzig 2D 3D TSV
14971892 32 Synthesis, radiosynthesis, and biological evaluation of carbon-11 and iodine-123 labeled 2beta-carbomethoxy-3beta-[4'-((Z)-2-haloethenyl)phenyl]tropanes: candidate radioligands for in vivo imaging of the serotonin transporter.EBI J Med Chem 47: 1122-35 (2004) Emory University 2D 3D TSV
14971890 59 3-(4-Aroyl-1-methyl-1H-2-pyrrolyl)-N-hydroxy-2-propenamides as a new class of synthetic histone deacetylase inhibitors. 2. Effect of pyrrole-C2 and/or -C4 substitutions on biological activity.EBI J Med Chem 47: 1098-109 (2004) Università degli Studi di Roma La Sapienza 2D 3D TSV
14971889 50 Nonpeptide luteinizing hormone-releasing hormone antagonists derived from erythromycin A: design, synthesis, and biological activity of cladinose replacement analogues.EBI J Med Chem 47: 1085-97 (2004) Abbott Laboratories 2D 3D TSV
14971888 16 Small molecule mitochondrial F1F0 ATPase hydrolase inhibitors as cardioprotective agents. Identification of 4-(N-arylimidazole)-substituted benzopyran derivatives as selective hydrolase inhibitors.EBI J Med Chem 47: 1081-4 (2004) The Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14971886 21 New class of corticotropin-releasing factor (CRF) antagonists: small peptides having high binding affinity for CRF receptor.EBI J Med Chem 47: 1075-8 (2004) Central Pharmaceutical Research Institute 2D 3D TSV
14962382 18 Interactions of LY333531 and other bisindolyl maleimide inhibitors with PDK1.BDB Structure 12: 215-26 (2004) University of Dundee 2D 3D TSV
14766749 2 Crystal structures of interleukin-2 tyrosine kinase and their implications for the design of selective inhibitors.BDB J Biol Chem 279: 18727-32 (2004) Vertex 2D 3D TSV
14761209 15 Importance of phenolic address groups in opioid kappa receptor selective antagonists.EBI J Med Chem 47: 1070-3 (2004) Research Triangle Institute 2D 3D TSV
14761208 8 Phe-Gly dipeptidomimetics designed for the di-/tripeptide transporters PEPT1 and PEPT2: synthesis and biological investigations.EBI J Med Chem 47: 1060-9 (2004) University of Tromsø 2D 3D TSV
14761206 10 Inhibition of adenosine deaminase by novel 5:7 fused heterocycles containing the imidazo[4,5-e][1,2,4]triazepine ring system: a structure-activity relationship study.EBI J Med Chem 47: 1044-50 (2004) University of Maryland 2D 3D TSV
14761205 56 Preparation, properties, reactions, and adenosine receptor affinities of sulfophenylxanthine nitrophenyl esters: toward the development of sulfonic acid prodrugs with peroral bioavailability.EBI J Med Chem 47: 1031-43 (2004) University of Bonn 2D 3D TSV
14761201 16 Design, synthesis, and biological characterization of metabolically stable selective androgen receptor modulators.BDB J Med Chem 47: 993-8 (2004) University of Tennessee at Memphis 2D 3D TSV
14761197 16 Synthesis, SAR, crystal structure, and biological evaluation of benzoquinoliziniums as activators of wild-type and mutant cystic fibrosis transmembrane conductance regulator channels.EBI J Med Chem 47: 962-72 (2004) Université de Poitiers 2D 3D TSV
14761195 114 Structural basis for the synthesis of indirubins as potent and selective inhibitors of glycogen synthase kinase-3 and cyclin-dependent kinases.BDB J Med Chem 47: 935-46 (2004) University of Athens 2D 3D TSV
14761194 15 Computer-aided design, synthesis, and anti-HIV-1 activity in vitro of 2-alkylamino-6-[1-(2,6-difluorophenyl)alkyl]-3,4-dihydro-5-alkylpyrimidin-4(3H)-ones as novel potent non-nucleoside reverse transcriptase inhibitors, also active against the Y181C variant.BDB J Med Chem 47: 928-34 (2004) Universita degli Studi di Roma La Sapienza 2D 3D TSV
14761193 11 Effects of C2-alkylation, N-alkylation, and N,N'-dialkylation on the stability and estrogen receptor interaction of (4R,5S)/(4S,5R)-4,5-bis(4-hydroxyphenyl)-2-imidazolines.EBI J Med Chem 47: 915-27 (2004) Free University of Berlin 2D 3D TSV
14761192 34 Conformer- and alignment-independent model for predicting structurally diverse competitive CYP2C9 inhibitors.EBI J Med Chem 47: 907-14 (2004) AstraZeneca R&D 2D 3D TSV
14761191 19 5-Fluorinated L-lysine analogues as selective induced nitric oxide synthase inhibitors.EBI J Med Chem 47: 900-6 (2004) Pfizer Inc. 2D 3D TSV
14761190 10 Recognition of privileged structures by G-protein coupled receptors.EBI J Med Chem 47: 888-99 (2004) Novo Nordisk A/S 2D 3D TSV
14761189 54 Discovery of a new class of anilinoquinazoline inhibitors with high affinity and specificity for the tyrosine kinase domain of c-Src.BDB J Med Chem 47: 871-87 (2004) AstraZeneca 2D 3D TSV
14761188 8 A selective AT2 receptor ligand with a gamma-turn-like mimetic replacing the amino acid residues 4-5 of angiotensin II.EBI J Med Chem 47: 859-70 (2004) Uppsala University 2D 3D TSV
14761181 4 Synthesis of a 5-methylindolyl-containing macrocycle that displays ultrapotent Grb2 SH2 domain-binding affinity.EBI J Med Chem 47: 788-91 (2004) National Cancer Institute 2D 3D TSV
14761180 31 Inhibitors of serine proteases as potential therapeutic agents: the road from thrombin to tryptase to cathepsin G.EBI J Med Chem 47: 769-87 (2004) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
14759732 45 Synthesis and SAR exploration of dinapsoline analogues.BDB Bioorg Med Chem 12: 715-34 (2004) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14755051 1 Imaging reversal of multidrug resistance in living mice with bioluminescence: MDR1 P-glycoprotein transports coelenterazine.EBI Proc Natl Acad Sci USA 101: 1702-7 (2004) Washington University School of Medicine 2D 3D TSV
14744476 35 Milnacipran: a comparative analysis of human monoamine uptake and transporter binding affinity.BDB Biol Psychiatry 55: 320-2 (2004) Emory University 2D 3D TSV
14741297 46 Synthesis and SAR evaluation of 1,2,4-triazoles as A(2A) receptor antagonists.EBI Bioorg Med Chem Lett 14: 817-21 (2004) F Hoffmann-La Roche AG 2D 3D TSV
14741296 8 3-trifluoromethyl-4-nitro-5-arylpyrazoles are novel K(ATP) channel agonists.EBI Bioorg Med Chem Lett 14: 813-6 (2004) GlaxoSmithKline Research & Development 2D 3D TSV
14741295 29 The design and synthesis of sulfonamides as caspase-1 inhibitors.EBI Bioorg Med Chem Lett 14: 809-12 (2004) Pfizer Global Research and Development 2D 3D TSV
14741294 72 Discovery of novel aspartyl ketone dipeptides as potent and selective caspase-3 inhibitors.BDB Bioorg Med Chem Lett 14: 805-8 (2004) Merck Frosst Canada & Co. 2D 3D TSV
14741292 18 Discovery of thiophene-2-carboxylic acids as potent inhibitors of HCV NS5B polymerase and HCV subgenomic RNA replication. Part 2: tertiary amides.EBI Bioorg Med Chem Lett 14: 797-800 (2004) Shire BioChem Inc 2D 3D TSV
14741291 19 Discovery of thiophene-2-carboxylic acids as potent inhibitors of HCV NS5B polymerase and HCV subgenomic RNA replication. Part 1: Sulfonamides.EBI Bioorg Med Chem Lett 14: 793-6 (2004) Shire BioChem Inc. 2D 3D TSV
14741290 23 N-4-Substituted-benzyl-N'-tert-butylbenzyl thioureas as vanilloid receptor ligands: investigation on the role of methanesulfonamido group in antagonistic activity.EBI Bioorg Med Chem Lett 14: 787-91 (2004) Research Institute of Pharmaceutical Sciences and College of Pharmacy, Seoul National University, Seoul 151-742, South Korea. hgpk@plaza.snu.ac.kr 2D 3D TSV
14741289 43 Omega-carboxypyridyl substituted ureas as Raf kinase inhibitors: SAR of the amide substituent.EBI Bioorg Med Chem Lett 14: 783-6 (2004) Bayer Research Center 2D 3D TSV
14741288 4 Essential structural features of acetogenins: role of hydroxy groups adjacent to the bis-THF rings.EBI Bioorg Med Chem Lett 14: 779-82 (2004) Kyoto University 2D 3D TSV
14741287 10 Bile acid amides derived from chiral amino alcohols: novel antimicrobials and antifungals.EBI Bioorg Med Chem Lett 14: 773-7 (2004) Organic Chemistry Synthesis Division, National Chemical Laboratory, Pune 411 008, India. hazra@ems.ncl.res.in 2D 3D TSV
14741286 31 Synthesis of N,N'-disubstituted 3-aminobenzo[c] and [d]azepin-2-ones as potent and specific farnesyl transferase inhibitors.EBI Bioorg Med Chem Lett 14: 767-71 (2004) Institut de Recherches Servier 2D 3D TSV
14741285 34 Synthesis and biological evaluation of piperazine-based derivatives as inhibitors of plasminogen activator inhibitor-1 (PAI-1).EBI Bioorg Med Chem Lett 14: 761-5 (2004) Berlex Biosciences 2D 3D TSV
14741283 3 Benzene-di-N-octylcarbamates as conformationally constrained phospholipase A(2) inhibitors.EBI Bioorg Med Chem Lett 14: 751-5 (2004) National Chung-Hsing University 2D 3D TSV
14741281 36 Fluorinated dihydroquinolines as potent n-NOS inhibitors.EBI Bioorg Med Chem Lett 14: 743-6 (2004) Schering AG 2D 3D TSV
14741280 22 Novel nevirapine-like inhibitors with improved activity against NNRTI-resistant HIV: 8-heteroarylthiomethyldipyridodiazepinone derivatives.BDB Bioorg Med Chem Lett 14: 739-42 (2004) Boehringer Ingelheim (Canada) Ltd. 2D 3D TSV
14741277 44 3-(2-pyrrolidin-1-ylethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity human 5-HT(1B/1D) ligands.EBI Bioorg Med Chem Lett 14: 727-9 (2004) NPS Pharmaceuticals Inc 2D 3D TSV
14741275 27 Design of small molecule ketoamide-based inhibitors of cathepsin K.EBI Bioorg Med Chem Lett 14: 719-22 (2004) GlaxoSmithKline 2D 3D TSV
14741272 7 Inhibition of alpha-chymotrypsin with thiol-bearing substrate analogues in the presence of zinc ion.EBI Bioorg Med Chem Lett 14: 701-5 (2004) Pohang University of Science and Technology 2D 3D TSV
14741270 152 A new class of potent non-imidazole H(3) antagonists: 2-aminoethylbenzofurans.EBI Bioorg Med Chem Lett 14: 689-93 (2004) Abbott Laboratories 2D 3D TSV
14741269 1 Peptidyl aldehydes as slow-binding inhibitors of dual-specificity phosphatases.EBI Bioorg Med Chem Lett 14: 685-7 (2004) The Ohio State University 2D 3D TSV
14741268 6 2-hydroxy-4-isopropylbenzaldehyde, a potent partial tyrosinase inhibitor.EBI Bioorg Med Chem Lett 14: 681-3 (2004) University of California 2D 3D TSV
14741267 43 Thiazoles and thiopyridines: novel series of high affinity h5HT(7) ligands.EBI Bioorg Med Chem Lett 14: 677-80 (2004) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
14741266 203 Structure-activity relationships of non-imidazole H(3) receptor ligands. Part 3: 5-Substituted 3-phenyl-1,2,4-oxadiazoles as potent antagonists.EBI Bioorg Med Chem Lett 14: 673-6 (2004) Abbott Laboratories 2D 3D TSV
14741265 15 Manipulation of kinetic profiles in 2-aryl propionic acid cyclooxygenase inhibitors.EBI Bioorg Med Chem Lett 14: 667-71 (2004) Drexel University College of Medicine 2D 3D TSV
14741263 67 Solid-phase synthesis of a small library of 3-phenylthio-3-nicotinyl propionic acid derivatives acting as antagonists of the integrin alphaVbeta3.EBI Bioorg Med Chem Lett 14: 657-61 (2004) Nerviano 2D 3D TSV
14741259 62 Macrocyclic piperazinones as potent dual inhibitors of farnesyltransferase and geranylgeranyltransferase-I.EBI Bioorg Med Chem Lett 14: 639-43 (2004) Merck Research Laboratories 2D 3D TSV
14741252 17 Inhibition of estrone sulfatase (ES) by alkyl and cycloalkyl ester derivatives of 4-[(aminosulfonyl)oxy] benzoic acid.EBI Bioorg Med Chem Lett 14: 605-9 (2004) Kingston University 2D 3D TSV
14741251 12 Rational design and synthesis of selective BACE-1 inhibitors.EBI Bioorg Med Chem Lett 14: 601-4 (2004) Merck Research Laboratories 2D 3D TSV
14741250 29 Synthesis of new thiophene and benzo[b]thiophene hydrazide derivatives as human NPY Y(5) antagonists.EBI Bioorg Med Chem Lett 14: 597-9 (2004) Universidad de Navarra 2D 3D TSV
14741249 21 Aza-bicyclic amino acid sulfonamides as alpha(4)beta(1)/alpha(4)beta(7) integrin antagonists.EBI Bioorg Med Chem Lett 14: 591-6 (2004) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
14741248 79 Chemoenzymatic synthesis and binding affinity of novel (R)- and (S)-3-aminomethyl-1-tetralones, potential atypical antipsychotics.EBI Bioorg Med Chem Lett 14: 585-9 (2004) Departamento de Química Orgánica, Facultad de Farmacia, Universidad de Santiago de Compostela, E-15782, Santiago de Compostela, Spain. 2D 3D TSV
14741245 2 Inhibition kinetics of carba- and C-fucosyl analogues of GDP-fucose against fucosyltransferase V: implication for the reaction mechanism.EBI Bioorg Med Chem Lett 14: 571-3 (2004) David Geffen School of Medicine at University of California 2D 3D TSV
14736255 68 Synthesis and structure-activity relationships of novel arylpiperazines as potent and selective agonists of the melanocortin subtype-4 receptor.EBI J Med Chem 47: 744-55 (2004) Lilly Research Laboratories 2D 3D TSV
14736254 70 Structure-activity study on the Phe side chain arrangement of endomorphins using conformationally constrained analogues.EBI J Med Chem 47: 735-43 (2004) Biological Research Center of the Hungarian Academy of Sciences 2D 3D TSV
14736252 12 4-[5-Fluoro-3-[4-(2-methyl-1H-imidazol-1-yl)benzyloxy]phenyl]-3,4,5,6- tetrahydro-2H-pyran-4-carboxamide, an orally active inhibitor of 5-lipoxygenase with improved pharmacokinetic and toxicology characteristics.EBI J Med Chem 47: 720-5 (2004) Pfizer Global Research and Development 2D 3D TSV
14736250 50 Potent and selective conformationally restricted neuronal nitric oxide synthase inhibitors.EBI J Med Chem 47: 703-10 (2004) Northwestern University 2D 3D TSV
14736247 361 Inhibitors of multiple mutants of Plasmodium falciparum dihydrofolate reductase and their antimalarial activities.EBI J Med Chem 47: 673-80 (2004) National Center for Genetic Engineering and Biotechnology 2D 3D TSV
14736246 5 Synthesis and biological evaluation of 2,3,5-substituted [1,2,4]thiadiazoles as allosteric modulators of adenosine receptors.EBI J Med Chem 47: 663-72 (2004) Leiden University 2D 3D TSV
14736245 16 Structure-activity relationships of N-acyl pyrroloquinolone PDE-5 inhibitors.EBI J Med Chem 47: 656-62 (2004) Johnson and Johnson Pharmaceutical Research and Development LLC 2D 3D TSV
14736244 8 Conformationally constrained analogues of diacylglycerol. 20. The search for an elusive binding site on protein kinase C through relocation of the carbonyl pharmacophore along the sn-1 side chain of 1,2-diacylglycerol lactones.EBI J Med Chem 47: 644-55 (2004) National Cancer Institute at Frederick 2D 3D TSV
14736243 49 Synthesis, biological properties, and molecular modeling investigations of novel 3,4-diarylpyrazolines as potent and selective CB(1) cannabinoid receptor antagonists.EBI J Med Chem 47: 627-43 (2004) Solvay Pharma 2D 3D TSV
14736242 88 Design, synthesis, and biological activity of 4-[(4-cyano-2-arylbenzyloxy)-(3-methyl-3H-imidazol-4-yl)methyl]benzonitriles as potent and selective farnesyltransferase inhibitors.BDB J Med Chem 47: 612-26 (2004) Globe Pharmaceutical R and Abbott Laboratories 2D 3D TSV
14736240 57 Design of potent, selective, and orally bioavailable inhibitors of cysteine protease cathepsin k.EBI J Med Chem 47: 588-99 (2004) GlaxoSmithKline 2D 3D TSV
14736236 20 Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition.BDB J Med Chem 47: 550-7 (2004) University of Marburg 2D 3D TSV
14736235 45 Discovery of 4-substituted pyrrolidone butanamides as new agents with significant antiepileptic activity.EBI J Med Chem 47: 530-49 (2004) UCB S.A. 2D 3D TSV
14736234 11 Structural analysis and optimization of NK(1) receptor antagonists through modulation of atropisomer interconversion properties.EBI J Med Chem 47: 519-29 (2004) AstraZeneca Pharmaceuticals LP 2D 3D TSV
14730417 62 Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells.BDB Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004) Universität Würzburg 2D 3D TSV
14729121 29 In vitro opioid activity profiles of 6-amino acid substituted derivatives of 14-O-methyloxymorphone.BDB Eur J Pharmacol 483: 301-8 (2004) University of Innsbruck 2D 3D TSV
14722321 9 A potent and selective histamine H4 receptor antagonist with anti-inflammatory properties.BDB J Pharmacol Exp Ther 309: 404-13 (2004) Johnson & Johnson Pharmaceutical 2D 3D TSV
14718923 12 Structural basis for dipeptide amide isoform-selective inhibition of neuronal nitric oxide synthase.BDB Nat Struct Mol Biol 11: 54-9 (2004) University of California at Irvine 2D 3D TSV
14718605 8 Identification and characterization of 4-[[4-(2-butynyloxy)phenyl]sulfonyl]-N-hydroxy-2,2-dimethyl-(3S)thiomorpholinecarboxamide (TMI-1), a novel dual tumor necrosis factor-alpha-converting enzyme/matrix metalloprotease inhibitor for the treatment of rheumatoid arthritis.BDB J Pharmacol Exp Ther 309: 348-55 (2004) Wyeth Research 2D 3D TSV
14711315 72 (2S,1'S,2'R,3'R)-2-(2'-Carboxy-3'-hydroxymethylcyclopropyl) glycine is a highly potent group 2 and 3 metabotropic glutamate receptor agonist with oral activity.EBI J Med Chem 47: 456-66 (2004) Lilly, SA 2D 3D TSV
14711314 63 Synthesis and opioid activity of side-chain-to-side-chain cyclic dynorphin A-(1-11) amide analogues cyclized between positions 2 and 5. 1. Substitutions in position 3.EBI J Med Chem 47: 446-55 (2004) University of Maryland 2D 3D TSV
14711313 8 Design and synthesis of peptidomimetic protein farnesyltransferase inhibitors as anti-Trypanosoma brucei agents.EBI J Med Chem 47: 432-45 (2004) Yale University 2D 3D TSV
14711311 104 Synthesis and structure-activity relationship for a novel class of potent and selective carbamoyl-triazole based inhibitors of hormone sensitive lipase.EBI J Med Chem 47: 400-10 (2004) Novo Nordisk A/S 2D 3D TSV
14711310 154 Application of CoMFA and CoMSIA 3D-QSAR and docking studies in optimization of mercaptobenzenesulfonamides as HIV-1 integrase inhibitors.EBI J Med Chem 47: 385-99 (2004) University of Southern California 2D 3D TSV
14711307 289 Target guided synthesis of 5-benzyl-2,4-diamonopyrimidines: their antimalarial activities and binding affinities to wild type and mutant dihydrofolate reductases from Plasmodium falciparum.EBI J Med Chem 47: 345-54 (2004) National Center for Genetic Engineering and Biotechnology 2D 3D TSV
14711305 26 Evaluation of P1'-diversified phosphinic peptides leads to the development of highly selective inhibitors of MMP-11.EBI J Med Chem 47: 325-36 (2004) University of Athens 2D 3D TSV
14711304 117 Identification of novel binding interactions in the development of potent, selective 2-naphthamidine inhibitors of urokinase. Synthesis, structural analysis, and SAR of N-phenyl amide 6-substitution.EBI J Med Chem 47: 303-24 (2004) Abbott Laboratories 2D 3D TSV
14711303 115 Synthesis, monoamine transporter binding properties, and behavioral pharmacology of a series of 3beta-(substituted phenyl)-2beta-(3'-substituted isoxazol-5-yl)tropanes.EBI J Med Chem 47: 296-302 (2004) Research Triangle Institute 2D 3D TSV
14711299 9 Discovery of the first N-substituted 4beta-methyl-5-(3-hydroxyphenyl)morphan to possess highly potent and selective opioid delta receptor antagonist activity.EBI J Med Chem 47: 281-4 (2004) Research Triangle Institute 2D 3D TSV
14709324 20 Pharmacological profile of YM348, a novel, potent and orally active 5-HT2C receptor agonist.BDB Eur J Pharmacol 483: 37-43 (2004) Yamanouchi Pharmaceutical Co., Ltd. 2D 3D TSV
14709046 4 A highly potent non-nucleoside adenosine deaminase inhibitor: efficient drug discovery by intentional lead hybridization.BDB J Am Chem Soc 126: 34-5 (2004) Fujisawa Pharmaceutical Co., Ltd. 2D 3D TSV
14703393 52 Thermodynamics of the molecular and chiral recognition of cycloalkanols and camphor by modified beta-cyclodextrins possessing simple aromatic tethers.BDB J Org Chem 69: 173-80 (2004) Nankai University 2D 3D TSV
14700626 35 Inhibitor specificity via protein dynamics: insights from the design of antibacterial agents targeted against thymidylate synthase.BDB Chem Biol 10: 1183-93 (2003) Università di Modena e Reggio Emilia 2D 3D TSV
14698201 47 New fatty acid oxidation inhibitors with increased potency lacking adverse metabolic and electrophysiological properties.EBI Bioorg Med Chem Lett 14: 549-52 (2003) CV Therapeutics 2D 3D TSV
14698200 45 2-(Aminomethyl)-benzamide-based glycine transporter type-2 inhibitors.EBI Bioorg Med Chem Lett 14: 545-8 (2003) Pharmacopeia, Inc. 2D 3D TSV
14698198 31 Affinity and intrinsic efficacy (IE) of 5'-carbamoyl adenosine analogues for the A1 adenosine receptor--efforts towards the discovery of a chronic ventricular rate control agent for the treatment of atrial fibrillation (AF).EBI Bioorg Med Chem Lett 14: 535-9 (2003) CV Therapeutics 2D 3D TSV
14698197 35 7-Hydroxynaphthalen-1-yl-urea and -amide antagonists of human vanilloid receptor 1.EBI Bioorg Med Chem Lett 14: 531-4 (2003) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
14698196 8 Binding of an imidazopyridoindole at imidazoline I2 receptors.EBI Bioorg Med Chem Lett 14: 527-9 (2003) Virginia Commonwealth University 2D 3D TSV
14698195 20 3-(4-Aminobutyn-1-yl)pyridines: binding at alpha 4 beta 2 nicotinic cholinergic receptors.EBI Bioorg Med Chem Lett 14: 523-6 (2003) Virginia Commonwealth University 2D 3D TSV
14698193 43 Modulation of selective serotonin reuptake inhibitor and 5-HT1A antagonist activity in 8-aza-bicyclo[3.2.1]octane derivatives of 2,3-dihydro-1,4-benzodioxane.EBI Bioorg Med Chem Lett 14: 515-8 (2003) Wyeth Research 2D 3D TSV
14698190 44 Polar substitutions in the benzenesulfonamide ring of celecoxib afford a potent 1,5-diarylpyrazole class of COX-2 inhibitors.EBI Bioorg Med Chem Lett 14: 499-504 (2003) Discovery Research-Dr. Reddy's Laboratories Ltd 2D 3D TSV
14698188 13 Fentanyl derivatives bearing aliphatic alkaneguanidinium moieties: a new series of hybrid molecules with significant binding affinity for mu-opioid receptors and I2-imidazoline binding sites.EBI Bioorg Med Chem Lett 14: 491-3 (2003) Instituto de Química Médica 2D 3D TSV
14698179 58 Design, synthesis, and activity of HDAC inhibitors with a N-formyl hydroxylamine head group.EBI Bioorg Med Chem Lett 14: 449-53 (2003) The Scripps Research Institute 2D 3D TSV
14698178 8 1,2-Diaryl-1-ethanone and pyrazolo [4,3-c] quinoline-4-one as novel selective cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem Lett 14: 445-8 (2003) Dr. Reddy's Laboratories Limited 2D 3D TSV
14698176 5 Effects of fluorine substitution of cytosine analogues on the binding affinity to HIV-1 reverse transcriptase.EBI Bioorg Med Chem Lett 14: 437-40 (2003) The University of Georgia 2D 3D TSV
14698171 21 1-Azakenpaullone is a selective inhibitor of glycogen synthase kinase-3 beta.BDB Bioorg Med Chem Lett 14: 413-6 (2004) Technische Universitat Braunschweig 2D 3D TSV
14698170 46 A novel series of potent and selective IKK2 inhibitors.EBI Bioorg Med Chem Lett 14: 409-12 (2003) Celltech R&D Ltd 2D 3D TSV
14698169 53 N-Benzylindole-2-carboxylic acids: potent functional antagonists of the CCR2b chemokine receptor.EBI Bioorg Med Chem Lett 14: 405-8 (2003) AstraZeneca 2D 3D TSV
14698167 22 Design and synthesis of novel cyanoguanidine ATP-sensitive potassium channel openers for the treatment of overactive bladder.EBI Bioorg Med Chem Lett 14: 397-400 (2004) Abbott Laboratories, Neuroscience Research, Global Pharmaceutical Research and Development, Abbott Park, IL 60064, USA. arturo.perezmedrano@abbott.com 2D 3D TSV
14698164 39 Synthesis and biological evaluation of nonpeptide integrin antagonists containing spirocyclic scaffolds.EBI Bioorg Med Chem Lett 14: 383-7 (2003) Pharmaceutical Research Institute 2D 3D TSV
14698163 60 Synthesis of novel melanocortin 4 receptor agonists and antagonists containing a succinamide core.EBI Bioorg Med Chem Lett 14: 377-81 (2003) Amgen Inc. 2D 3D TSV
14698161 10 Synthesis and biological characterisation of [3H]BBL454, a new CCK2 selective radiolabelled agonist displaying original pharmacological properties.EBI Bioorg Med Chem Lett 14: 369-72 (2003) INSERM 2D 3D TSV
14698158 13 A novel Pd-catalyzed cyclization reaction of ureas for the synthesis of dihydroquinazolinone p38 kinase inhibitors.EBI Bioorg Med Chem Lett 14: 357-60 (2003) Novartis Institute for Biomedical Research 2D 3D TSV
14698157 19 Optimization of the indolyl quinolinone class of KDR (VEGFR-2) kinase inhibitors: effects of 5-amido- and 5-sulphonamido-indolyl groups on pharmacokinetics and hERG binding.BDB Bioorg Med Chem Lett 14: 351-5 (2004) Merck Research Laboratories 2D 3D TSV
14698155 68 Synthesis and evaluation of indenopyrazoles as cyclin-dependent kinase inhibitors. Part 4: Heterocycles at C3.BDB Bioorg Med Chem Lett 14: 343-6 (2004) Bristol-Myers Squibb Company 2D 3D TSV
14698154 26 Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with the antipsychotic drug sulpiride.EBI Bioorg Med Chem Lett 14: 337-41 (2003) Bruker-AXS s.r.l. 2D 3D TSV
14698153 55 Imidazole derivatives as new potent and selective 20-HETE synthase inhibitors.EBI Bioorg Med Chem Lett 14: 333-6 (2003) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
14698151 14 Adenine derived inhibitors of the molecular chaperone HSP90-SAR explained through multiple X-ray structures.EBI Bioorg Med Chem Lett 14: 325-8 (2003) RiboTargets Ltd 2D 3D TSV
14698149 14 Parallel solid-phase synthesis of disubstituted (5-biphenyltetrazolyl) hydantoins and thiohydantoins targeting the growth hormone secretagogue receptor.EBI Bioorg Med Chem Lett 14: 317-20 (2003) Novo Nordisk A/S 2D 3D TSV
14698148 44 4,5-Disubstituted-1,3-oxazolidin-2-imine derivatives: a new class of orally bioavailable nitric oxide synthase inhibitor.EBI Bioorg Med Chem Lett 14: 313-6 (2003) Dainippon Pharmaceutical Co., Ltd 2D 3D TSV
14698147 60 Synthesis of potent and selective 2-azepanone inhibitors of human tryptase.EBI Bioorg Med Chem Lett 14: 309-12 (2003) The Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14695840 21 Synthesis and biological evaluation of analogues of 7-chloro-4,5-dihydro-4- oxo-8-(1,2,4-triazol-4-yl)-1,2,4-triazolo[1,5-a]quinoxaline-2-carboxylic acid (TQX-173) as novel selective AMPA receptor antagonists.EBI J Med Chem 47: 262-72 (2003) Universita'degli Studi di Firenze 2D 3D TSV
14695838 178 Folate-synthesizing enzyme system as target for development of inhibitors and inhibitor combinations against Candida albicans-synthesis and biological activity of new 2,4-diaminopyrimidines and 4'-substituted 4-aminodiphenyl sulfones.EBI J Med Chem 47: 240-53 (2003) Leibniz Center for Medicine and Biosciences 2D 3D TSV
14695833 46 Benzoxazinones as PPARgamma agonists. 2. SAR of the amide substituent and in vivo results in a type 2 diabetes model.EBI J Med Chem 47: 196-209 (2003) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
14695831 48 Effects of bisphosphonates on the growth of Entamoeba histolytica and Plasmodium species in vitro and in vivo.EBI J Med Chem 47: 175-87 (2003) University of Illinois at Urbana-Champaign 2D 3D TSV
14695830 111 10-Ketomorphinan and 3-substituted-3-desoxymorphinan analogues as mixed kappa and micro opioid ligands: synthesis and biological evaluation of their binding affinity at opioid receptors.EBI J Med Chem 47: 165-74 (2003) Harvard Medical School 2D 3D TSV
14695829 21 Design and synthesis of hydroxyethylene-based peptidomimetic inhibitors of human beta-secretase.BDB J Med Chem 47: 158-64 (2004) Elan Pharmaceuticals 2D 3D TSV
14695828 107 Pyrrolo[1,3]benzothiazepine-based serotonin and dopamine receptor antagonists. Molecular modeling, further structure-activity relationship studies, and identification of novel atypical antipsychotic agents.EBI J Med Chem 47: 143-57 (2003) Universit£ degli Studi di Siena 2D 3D TSV
14695826 13 NMR structural characterization of peptide inhibitors bound to the Hepatitis C virus NS3 protease: design of a new P2 substituent.EBI J Med Chem 47: 123-32 (2003) Boehringer Ingelheim (Canada) Ltd. 2D 3D TSV
14695825 67 Potent inhibitors of the Plasmodium falciparum enzymes plasmepsin I and II devoid of cathepsin D inhibitory activity.BDB J Med Chem 47: 110-22 (2004) Uppsala University 2D 3D TSV
14695824 68 Synthesis and structure-activity relationships of 5,6,7,8-tetrahydro-4H-thieno[3,2-b]azepine derivatives: novel arginine vasopressin antagonists.EBI J Med Chem 47: 101-9 (2003) Central Pharmaceutical Research Institute 2D 3D TSV
14695821 8 Design, synthesis, molecular modeling studies, and calpain inhibitory activity of novel alpha-ketoamides incorporating polar residues at the P1'-position.EBI J Med Chem 47: 72-9 (2003) University of Tennessee Health Science Center 2D 3D TSV
14695818 8 Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.BDB J Med Chem 47: 37-44 (2004) University of Queensland 2D 3D TSV
14695817 67 Evaluation and comparison of 3D-QSAR CoMSIA models for CDK1, CDK5, and GSK-3 inhibition by paullones.BDB Eur J Biochem 267: 5983-94 (2000) Universitat Hamburg 2D 3D TSV
14695816 54 Discovery of small-molecule inhibitors of the ATPase activity of human papillomavirus E1 helicase.EBI J Med Chem 47: 18-21 (2003) Boehringer Ingelheim (Canada) Ltd. 2D 3D TSV
14695815 33 Discovery of alpha,gamma-diketo acids as potent selective and reversible inhibitors of hepatitis C virus NS5b RNA-dependent RNA polymerase.EBI J Med Chem 47: 14-7 (2003) Italy. Vinc 2D 3D TSV
14695814 1 Self-association of okadaic acid upon complexation with potassium ion.EBI J Med Chem 47: 10-3 (2003) Instituto Universitario de Bio-Organica Antonio Gonzalez 2D 3D TSV
14695789 1 Isolation and structure elucidation of Sch 642305, a novel bacterial DNA primase inhibitor produced by Penicillium verrucosum.EBI J Nat Prod 66: 1527-30 (2003) Schering-Plough Research Institute 2D 3D TSV
14690411 40 Secondary mutations M36I and A71V in the human immunodeficiency virus type 1 protease can provide an advantage for the emergence of the primary mutation D30N.BDB Biochemistry 42: 15029-35 (2003) University of Florida College of Medicine 2D 3D TSV
14684344 49 (2-amino-phenyl)-amides of omega-substituted alkanoic acids as new histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 14: 283-7 (2003) MethylGene Inc. 2D 3D TSV
14684342 39 Exploration of the P1 SAR of aldehyde cathepsin K inhibitors.EBI Bioorg Med Chem Lett 14: 275-8 (2003) GlaxoSmithKline 2D 3D TSV
14684341 15 Synthesis and nicotinic receptor activity of a hydroxylated tropane.EBI Bioorg Med Chem Lett 14: 271-3 (2003) University of Wollongong 2D 3D TSV
14684340 35 Structure-activity relationships of novel potent MurF inhibitors.EBI Bioorg Med Chem Lett 14: 267-70 (2003) Abbott Laboratories 2D 3D TSV
14684339 33 Novel P4 truncated tripeptidyl alpha-ketoamides as HCV protease inhibitors.EBI Bioorg Med Chem Lett 14: 263-6 (2003) Lilly Research Laboratory 2D 3D TSV
14684338 44 P1 and P3 optimization of novel bicycloproline P2 bearing tetrapeptidyl alpha-ketoamide based HCV protease inhibitors.EBI Bioorg Med Chem Lett 14: 257-61 (2003) Lilly Research Laboratory 2D 3D TSV
14684337 31 Discovery of a novel bicycloproline P2 bearing peptidyl alpha-ketoamide LY514962 as HCV protease inhibitor.EBI Bioorg Med Chem Lett 14: 251-6 (2003) Lilly Research Laboratory 2D 3D TSV
14684336 20 P3 cap modified Phe*-Ala series BACE inhibitors.EBI Bioorg Med Chem Lett 14: 245-50 (2003) Lilly Research Laboratories 2D 3D TSV
14684335 21 Phe*-Ala-based pentapeptide mimetics are BACE inhibitors: P2 and P3 SAR.EBI Bioorg Med Chem Lett 14: 239-43 (2003) Lilly Research Laboratories 2D 3D TSV
14684333 9 Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with EMATE, a dual inhibitor of carbonic anhydrases and steroid sulfatase.EBI Bioorg Med Chem Lett 14: 231-4 (2003) Universit£ degli Studi di Firenze 2D 3D TSV
14684332 27 Carbonic anhydrase inhibitors: N-(p-sulfamoylphenyl)-alpha-D-glycopyranosylamines as topically acting antiglaucoma agents in hypertensive rabbits.EBI Bioorg Med Chem Lett 14: 225-9 (2003) Universit£ Montpellier II 2D 3D TSV
14684331 24 Carbonic anhydrase inhibitors: E7070, a sulfonamide anticancer agent, potently inhibits cytosolic isozymes I and II, and transmembrane, tumor-associated isozyme IX.EBI Bioorg Med Chem Lett 14: 217-23 (2003) Universit£ degli Studi di Firenze 2D 3D TSV
14684330 17 Novel targeting strategy based on multimeric ligands for drug delivery and molecular imaging: homooligomers of alpha-MSH.EBI Bioorg Med Chem Lett 14: 211-5 (2003) University of Arizona 2D 3D TSV
14684329 27 Highly potent PDE4 inhibitors with therapeutic potential.EBI Bioorg Med Chem Lett 14: 207-10 (2004) Minase Research Institute, Ono Pharmaceutical Co. Ltd, 3-1-1 Sakurai, Shimamoto, Mishima, Osaka 618-8585, Japan. 2D 3D TSV
14684328 1 Inactivation of gamma-aminobutyric acid aminotransferase by (S)-4-amino-4,5-dihydro-2-furancarboxylic acid does not proceed by the expected aromatization mechanism.EBI Bioorg Med Chem Lett 14: 203-6 (2003) Northwestern University 2D 3D TSV
14684327 60 Conformationally-flexible benzamide analogues as dopamine D3 and sigma 2 receptor ligands.EBI Bioorg Med Chem Lett 14: 195-202 (2003) Wake Forest University School of Medicine 2D 3D TSV
14684325 154 Design and synthesis of aminopropyl tetrahydroindole-based indolin-2-ones as selective and potent inhibitors of Src and Yes tyrosine kinase.EBI Bioorg Med Chem Lett 14: 187-90 (2003) SUGEN, Inc. 2D 3D TSV
14684324 46 The design and synthesis of a novel quinolizidine template for potent opioid and opioid receptor-like (ORL1, NOP) receptor ligands.EBI Bioorg Med Chem Lett 14: 181-5 (2003) SRI International 2D 3D TSV
14684323 21 Aminoimidazoles as bioisosteres of acylguanidines: novel, potent, selective and orally bioavailable inhibitors of the sodium hydrogen exchanger isoform-1.EBI Bioorg Med Chem Lett 14: 177-80 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14684321 12 Substituted furo[3,2-b]pyridines: novel bioisosteres of 5-HT 1F receptor agonists.EBI Bioorg Med Chem Lett 14: 167-70 (2003) Lilly Research Laboratories 2D 3D TSV
14684318 8 The difluoromethylene group as a replacement for the labile oxygen in steroid sulfates: a new approach to steroid sulfatase inhibitors.EBI Bioorg Med Chem Lett 14: 151-5 (2003) University of Waterloo 2D 3D TSV
14684315 1 An electrochemical device for the assay of the interaction between a dioxin receptor and its various ligands.EBI Bioorg Med Chem Lett 14: 137-41 (2003) Kyushu University 2D 3D TSV
14684311 77 Non-nucleoside inhibitors of the hepatitis C virus NS5B polymerase: discovery and preliminary SAR of benzimidazole derivatives.EBI Bioorg Med Chem Lett 14: 119-24 (2003) Boehringer Ingelheim (Canada) Ltd 2D 3D TSV
14684309 18 Synthesis and SAR of potent EGFR/erbB2 dual inhibitors.BDB Bioorg Med Chem Lett 14: 111-4 (2004) GlaxoSmithKline 2D 3D TSV
14684306 70 Discovery of a potent, selective and orally active canine COX-2 inhibitor, 2-(3-difluoromethyl-5-phenyl-pyrazol-1-yl)-5-methanesulfonyl-pyridine.EBI Bioorg Med Chem Lett 14: 95-8 (2003) Pfizer Inc. 2D 3D TSV
14684305 11 Investigation of novel fumagillin analogues as angiogenesis inhibitors.EBI Bioorg Med Chem Lett 14: 91-4 (2003) Gilead Sciences 2D 3D TSV
14684304 41 (4-Piperidinylphenyl)aminoethyl amides as a novel class of non-covalent cathepsin K inhibitors.EBI Bioorg Med Chem Lett 14: 87-90 (2003) Amgen Inc. 2D 3D TSV
14684303 29 The discovery and synthesis of novel adenosine substituted 2,3-dihydro-1H-isoindol-1-ones: potent inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1).EBI Bioorg Med Chem Lett 14: 81-5 (2003) Inotek Pharmaceuticals Corporation 2D 3D TSV
14684302 8 Peptidyl hydroxamic acids as methionine aminopeptidase inhibitors.EBI Bioorg Med Chem Lett 14: 77-9 (2003) The Ohio State University 2D 3D TSV
14684301 3 Novel O-glycosyl amino acid mimetics as building blocks for O-glycopeptides act as inhibitors of galactosidases.EBI Bioorg Med Chem Lett 14: 73-5 (2003) University of Hamburg 2D 3D TSV
14684299 2 A facile synthesis of 1-ethoxy-4-cyano-5-ethoxycarbonyl-3H-azuleno[1,2-c]pyran-3-one, a selective 15-lipoxygenase inhibitor.EBI Bioorg Med Chem Lett 14: 63-5 (2003) Tamkang University 2D 3D TSV
14684298 39 Peptide deformylase inhibitors with activity against respiratory tract pathogens.EBI Bioorg Med Chem Lett 14: 59-62 (2003) British Biotech Pharmaceuticals Limited 2D 3D TSV
14684297 31 Discovery of a novel series of DHODH inhibitors by a docking procedure and QSAR refinement.EBI Bioorg Med Chem Lett 14: 55-8 (2003) 4SC AG 2D 3D TSV
14684295 109 Tetrahydroisoquinoline based sulfonamide hydroxamates as potent matrix metalloproteinase inhibitors.EBI Bioorg Med Chem Lett 14: 47-50 (2003) Chinese Academy of Sciences 2D 3D TSV
14684294 79 4-Amino cyclohexylglycine analogues as potent dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 14: 43-6 (2003) Merck & Co. Inc. 2D 3D TSV
14684293 17 Anthranilate 4H-oxazol-5-ones: novel small molecule antibacterial acyl carrier protein synthase (AcpS) inhibitors.EBI Bioorg Med Chem Lett 14: 37-41 (2003) Wyeth Research 2D 3D TSV
14684291 14 New orally active PDE4 inhibitors with therapeutic potential.EBI Bioorg Med Chem Lett 14: 29-32 (2004) Minase Research Institute, Ono Pharmaceutical Co. Ltd, 3-1-1 Sakurai, Shimamoto, Mishima, Osaka 618-8585, Japan. 2D 3D TSV
14684289 81 Design and SAR of thienopyrimidine and thienopyridine inhibitors of VEGFR-2 kinase activity.EBI Bioorg Med Chem Lett 14: 21-4 (2003) Pfizer Global Research and Development 2D 3D TSV
14667236 61 2-arylureidobenzoic acids: selective noncompetitive antagonists for the homomeric kainate receptor subtype GluR5.EBI J Med Chem 46: 5834-43 (2003) The Danish University of Pharmaceutical Sciences 2D 3D TSV
14667234 23 Synthesis and pharmacological identification of neutral histamine H1-receptor antagonists.EBI J Med Chem 46: 5812-24 (2003) Vrije Universiteit Amsterdam 2D 3D TSV
14667233 2 Generation of bis-cationic heterocyclic inhibitors of Bacillus subtilis HPr kinase/phosphatase from a ditopic dynamic combinatorial library.EBI J Med Chem 46: 5803-11 (2003) ISIS-Universit£ Louis Pasteur 2D 3D TSV
14667230 7 Novel lavendamycin analogues as potent HIV-reverse transcriptase inhibitors: synthesis and evaluation of anti-reverse transcriptase activity of amide and ester analogues of lavendamycin.EBI J Med Chem 46: 5773-80 (2003) Ball State University 2D 3D TSV
14667228 3 Synthesis and structure-activity relationship of mannose-based peptidomimetics selectively blocking integrin alpha4beta7 binding to mucosal addressin cell adhesion molecule-1.EBI J Med Chem 46: 5752-62 (2003) Technische Universität München 2D 3D TSV
14667226 18 Parallel solid-phase synthesis and evaluation of inhibitors of Streptomyces coelicolor type II dehydroquinase.EBI J Med Chem 46: 5735-44 (2003) Universidad de Santiago de Compostela 2D 3D TSV
14667225 105 Three-dimensional quantitative structure-activity relationship analyses of peptide substrates of the mammalian H+/peptide cotransporter PEPT1.EBI J Med Chem 46: 5725-34 (2003) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
14667223 72 Computer modeling of selective regions in the active site of nitric oxide synthases: implication for the design of isoform-selective inhibitors.EBI J Med Chem 46: 5700-11 (2003) Northwestern University 2D 3D TSV
14667222 74 Analyses of activity for factor Xa inhibitors based on Monte Carlo simulations.EBI J Med Chem 46: 5691-9 (2003) Yale University 2D 3D TSV
14667220 40 Structure-based design, synthesis, and antimicrobial activity of indazole-derived SAH/MTA nucleosidase inhibitors.EBI J Med Chem 46: 5663-73 (2003) Quorex Pharmaceuticals 2D 3D TSV
14667219 24 Synthesis and structure-activity relationship of aminobenzophenones. A novel class of p38 MAP kinase inhibitors with high antiinflammatory activity.EBI J Med Chem 46: 5651-62 (2003) LEO Pharma 2D 3D TSV
14667216 48 Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives.EBI J Med Chem 46: 5619-27 (2003) Yonsei University 2D 3D TSV
14667215 64 Novel sst(4)-selective somatostatin (SRIF) agonists. 4. Three-dimensional consensus structure by NMR.EBI J Med Chem 46: 5606-18 (2003) Salk Institute 2D 3D TSV
14667214 185 Novel sst(4)-selective somatostatin (SRIF) agonists. 3. Analogues amenable to radiolabeling.EBI J Med Chem 46: 5597-605 (2003) Salk Institute 2D 3D TSV
14667213 90 Novel sst(4)-selective somatostatin (SRIF) agonists. 2. Analogues with beta-methyl-3-(2-naphthyl)alanine substitutions at position 8.EBI J Med Chem 46: 5587-96 (2003) Salk Institute 2D 3D TSV
14667212 110 Novel sst(4)-selective somatostatin (SRIF) agonists. 1. Lead identification using a betide scan.EBI J Med Chem 46: 5579-86 (2003) Salk Institute 2D 3D TSV
14667209 32 Synthesis, in vitro affinity, and efficacy of a bis 8-ethynyl-4H-imidazo[1,5a]- [1,4]benzodiazepine analogue, the first bivalent alpha5 subtype selective BzR/GABA(A) antagonist.EBI J Med Chem 46: 5567-70 (2003) University of Wisconsin-Milwaukee 2D 3D TSV
14660041 2 Spiro[9,10-dihydroanthracene]-9,3'-pyrrolidine-a structurally unique tetracyclic 5-HT2A receptor antagonist.BDB Eur J Pharmacol 482: 335-7 (2003) Virginia Commonwealth University 2D 3D TSV
14645664 35 Ligand structure-activity requirements and phospholipid dependence for the binding of phorbol esters to protein kinase D.BDB Mol Pharmacol 64: 1342-8 (2003) University of Pittsburgh 2D 3D TSV
14645659 41 Differences in the central nervous system distribution and pharmacology of the mouse 5-hydroxytryptamine-6 receptor compared with rat and human receptors investigated by radioligand binding, site-directed mutagenesis, and molecular modeling.BDB Mol Pharmacol 64: 1295-308 (2003) GlaxoSmithKline 2D 3D TSV
14645658 19 Characterization of human alpha 4 beta 2-nicotinic acetylcholine receptors stably and heterologously expressed in native nicotinic receptor-null SH-EP1 human epithelial cells.BDB Mol Pharmacol 64: 1283-94 (2003) Barrow Neurological Institute 2D 3D TSV
14643357 29 Design and pharmacology of peptoids and peptide-peptoid hybrids based on the melanocortin agonists core tetrapeptide sequence.EBI Bioorg Med Chem Lett 13: 4505-9 (2003) University of Florida 2D 3D TSV
14643356 32 Structure-activity relationships of indole cytosolic phospholipase A(2)alpha inhibitors: substrate mimetics.EBI Bioorg Med Chem Lett 13: 4501-4 (2003) Wyeth Research 2D 3D TSV
14643355 58 N-acyl 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline: the first orexin-2 receptor selective non-peptidic antagonist.EBI Bioorg Med Chem Lett 13: 4497-9 (2003) Banyu Tsukuba Research Institute 2D 3D TSV
14643353 2 Novel mechanism of inhibiting beta-lactamases by sulfonylation using beta-sultams.EBI Bioorg Med Chem Lett 13: 4489-92 (2003) Department of Chemical and Biological Sciences, The University of Huddersfield, Queensgate, Huddersfield HD1 3DH, UK. m.i.page@hud.ac.uk 2D 3D TSV
14643350 38 Duloxetine (Cymbalta), a dual inhibitor of serotonin and norepinephrine reuptake.EBI Bioorg Med Chem Lett 13: 4477-80 (2003) Lilly Research Laboratories 2D 3D TSV
14643348 37 Tripeptidyl-peptidase II (TPP II) inhibitory activity of (S)-2,3-dihydro-2-(1H-imidazol-2-yl)-1H-indoles, a systematic SAR evaluation. Part 2.EBI Bioorg Med Chem Lett 13: 4467-71 (2003) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
14643346 65 trans-3,4-dimethyl-4-(3-carboxamidophenyl)piperidines: a novel class of micro-selective opioid antagonists.EBI Bioorg Med Chem Lett 13: 4459-62 (2003) Adolor Corporation 2D 3D TSV
14643340 41 Design and syntheses of melanocortin subtype-4 receptor agonists: evolution of the pyridazinone archetype.EBI Bioorg Med Chem Lett 13: 4431-5 (2003) Merck Research Laboratories 2D 3D TSV
14643338 124 Binding of beta-carbolines at 5-HT(2) serotonin receptors.EBI Bioorg Med Chem Lett 13: 4421-5 (2003) Virginia Commonwealth University 2D 3D TSV
14643337 38 Synthesis of non-immunosuppressive cyclophilin-Binding cyclosporin A derivatives as potential anti-HIV-1 drugs.EBI Bioorg Med Chem Lett 13: 4415-9 (2003) Centre de Recherche de Paris 2D 3D TSV
14643336 13 Design, synthesis and biological activity of novel dimethyl-[2-[6-substituted-indol-1-yl]-ethyl]-amine as potent, selective, and orally-bioavailable 5-HT(1D) agonists.EBI Bioorg Med Chem Lett 13: 4409-13 (2003) NPS Pharmaceuticals Inc. 2D 3D TSV
14643335 12 Stable analogues of geranylgeranyl diphosphate possessing improved geranylgeranyl versus farnesyl protein transferase inhibitory selectivity.EBI Bioorg Med Chem Lett 13: 4405-8 (2003) Università di Pisa 2D 3D TSV
14643332 5 Novel non-vanilloid VR1 antagonist of high analgesic effects and its structural requirement for VR1 antagonistic effects.EBI Bioorg Med Chem Lett 13: 4389-93 (2003) College of Pharmacy, Seoul National University, San 56-1, Shinlim-Dong, Kwanak-Gu, Seoul 151-742, South Korea. ygsuh@snu.ac.kr 2D 3D TSV
14643331 71 Novel 3,4-dihydroquinolin-2(1H)-one inhibitors of human glycogen phosphorylase a.EBI Bioorg Med Chem Lett 13: 4385-8 (2003) Merck Research Laboratories 2D 3D TSV
14643330 40 Heterocyclic aminopyrrolidine derivatives as melatoninergic agents.EBI Bioorg Med Chem Lett 13: 4381-4 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14643329 30 3D-QSAR studies on natural acetylcholinesterase inhibitors of Sarcococca saligna by comparative molecular field analysis (CoMFA).EBI Bioorg Med Chem Lett 13: 4375-80 (2003) University of Innsbruck 2D 3D TSV
14643327 17 Substituted azoloquinolines and -quinazolines as new potent farnesyl protein transferase inhibitors.EBI Bioorg Med Chem Lett 13: 4365-9 (2003) Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD) 2D 3D TSV
14643326 10 4-methyl-1,2,4-triazol-3-yl heterocycle as an alternative to the 1-methylimidazol-5-yl moiety in the farnesyltransferase inhibitor ZARNESTRA.EBI Bioorg Med Chem Lett 13: 4361-4 (2003) Medicinal Chemistry Department Johnson & Johnson Pharmaceutical Research & Development (J&JPRD) 2D 3D TSV
14643325 3 Successful shape-based virtual screening: the discovery of a potent inhibitor of the type I TGFbeta receptor kinase (TbetaRI).EBI Bioorg Med Chem Lett 13: 4355-9 (2003) Biogen Inc 2D 3D TSV
14643322 24 beta-alanine dipeptides as MC4R agonists.EBI Bioorg Med Chem Lett 13: 4341-4 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14643321 31 Design and synthesis of statine-containing BACE inhibitors.EBI Bioorg Med Chem Lett 13: 4335-9 (2003) Eli Lilly and Company 2D 3D TSV
14643320 6 Catechol-substituted L-chicoric acid analogues as HIV integrase inhibitors.EBI Bioorg Med Chem Lett 13: 4331-4 (2003) Institute of Science & Technology 2D 3D TSV
14643318 23 Novel histone deacetylase inhibitors: design, synthesis, enzyme inhibition, and binding mode study of SAHA-based non-hydroxamates.EBI Bioorg Med Chem Lett 13: 4321-6 (2003) Graduate School of Pharmaceutical Sciences, Nagoya City University, 3-1 Tanabe-dori, Mizuho-ku, Nagoya, Aichi 467-8603, Japan. 2D 3D TSV
14643316 11 6-(2-adamantan-2-ylidene-hydroxybenzoxazole)-O-sulfamate: a potent non-steroidal irreversible inhibitor of human steroid sulfatase.EBI Bioorg Med Chem Lett 13: 4313-6 (2003) Novartis Forschungsinstitut 2D 3D TSV
14643313 132 Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization.EBI Bioorg Med Chem Lett 13: 4299-304 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14643312 39 Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 1: lead identification.EBI Bioorg Med Chem Lett 13: 4293-7 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14643311 43 Lysine sulfonamides as novel HIV-protease inhibitors: optimization of the Nepsilon-acyl-phenyl spacer.BDB Bioorg Med Chem Lett 13: 4289-92 (2003) Pharmacor Inc 2D 3D TSV
14643310 6 Non-peptide alpha(v)beta(3) antagonists: identification of potent, chain-shortened RGD mimetics that incorporate a central pyrrolidinone constraint.EBI Bioorg Med Chem Lett 13: 4285-8 (2003) Merck Research Laboratories 2D 3D TSV
14643309 12 B-ring unsaturated estrogens: biological evaluation of 17alpha-Dihydroequilein and novel B-Nor-6-thiaequilenins as tissue selective estrogens.EBI Bioorg Med Chem Lett 13: 4281-4 (2003) Lilly Research Laboratories 2D 3D TSV
14643308 2 A simple stereoselective synthesis and biological evaluation of FR181157: orally active prostacyclin mimetic.EBI Bioorg Med Chem Lett 13: 4277-9 (2003) Fujisawa Pharmaceutical Co. Ltd 2D 3D TSV
14643307 1 KMI-008, a novel beta-secretase inhibitor containing a hydroxymethylcarbonyl isostere as a transition-state mimic: design and synthesis of substrate-based octapeptides.EBI Bioorg Med Chem Lett 13: 4273-6 (2003) Kyoto Pharmaceutical University 2D 3D TSV
14642972 88 Muscarinic mechanisms of antipsychotic atypicality.BDB Prog Neuropsychopharmacol Biol Psychiatry 27: 1125-43 (2003) Lilly Research Laboratories 2D 3D TSV
14640561 6 Synthesis of a prodrug designed to release multiple inhibitors of the epidermal growth factor receptor tyrosine kinase and an alkylating agent: a novel tumor targeting concept.EBI J Med Chem 46: 5546-51 (2003) McGill University Health Center/Royal Victoria Hospital 2D 3D TSV
14640559 405 Syntheses and binding studies of new [(aryl)(aryloxy)methyl]piperidine derivatives and related compounds as potential antidepressant drugs with high affinity for serotonin (5-HT) and norepinephrine (NE) transporters.EBI J Med Chem 46: 5512-32 (2003) FAES FARMA S A 2D 3D TSV
14640558 54 Guanidino N-substituted and N,N-disubstituted derivatives of the kappa-opioid antagonist GNTI.EBI J Med Chem 46: 5505-11 (2003) University of Bath 2D 3D TSV
14640557 19 Synthesis and structure-activity relationship of novel, highly potent metharyl and methcycloalkyl cyclooxygenase-2 (COX-2) selective inhibitors.EBI J Med Chem 46: 5484-504 (2003) NitroMed, Inc 2D 3D TSV
14640555 96 Carbonic anhydrase inhibitors: inhibition of transmembrane, tumor-associated isozyme IX, and cytosolic isozymes I and II with aliphatic sulfamates.EBI J Med Chem 46: 5471-7 (2003) Université Montpellier II 2D 3D TSV
14640554 31 N(alpha)-imidazolylalkyl and pyridylalkyl derivatives of histaprodifen: synthesis and in vitro evaluation of highly potent histamine H(1)-receptor agonists.EBI J Med Chem 46: 5458-70 (2003) Freie Universit£t Berlin 2D 3D TSV
14640550 132 Pyrazole and isoxazole derivatives as new, potent, and selective 20-hydroxy-5,8,11,14-eicosatetraenoic acid synthase inhibitors.EBI J Med Chem 46: 5416-27 (2003) Taisho Pharmaceutical Co, Ltd 2D 3D TSV
14640546 46 A new class of potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: structure-activity relationships for a series of 9-alkoxymethyl-12-(3-hydroxypropyl)indeno[2,1-a]pyrrolo[3,4-c]carbazole-5-ones and the identification of CEP-5214 and its dimethylglycine ester prodrug clinEBI J Med Chem 46: 5375-88 (2003) Cephalon, Inc 2D 3D TSV
14640544 7 Application of the lambda-dynamics method to evaluate the relative binding free energies of inhibitors to HCV protease.EBI J Med Chem 46: 5360-4 (2003) Schering-Plough Research Institute 2D 3D TSV
14640540 18 Molecular model of the alpha(IIb)beta(3) integrin.EBI J Med Chem 46: 5316-25 (2003) Merck Research Laboratories 2D 3D TSV
14640539 112 Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N- [3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-4-yl]-1H-pyrazole-5-carboxyamide (DPC602), a potent, selective, and orally bioavailable factor Xa inhibitor(1).EBI J Med Chem 46: 5298-315 (2003) Pharmaceutical Research Institute 2D 3D TSV
14640538 30 Synthesis and evaluation of imidazole acetic acid inhibitors of activated thrombin-activatable fibrinolysis inhibitor as novel antithrombotics.EBI J Med Chem 46: 5294-7 (2003) Merck Research Laboratories 2D 3D TSV
14640537 2 Design, synthesis, and biological activity of a difluoro-substituted, conformationally rigid vigabatrin analogue as a potent gamma-aminobutyric acid aminotransferase inhibitor.EBI J Med Chem 46: 5292-3 (2003) Northwestern University 2D 3D TSV
14640519 5 A new acylated oleanane triterpenoid from Couepia polyandra that inhibits the lyase activity of DNA polymerase beta.EBI J Nat Prod 66: 1463-5 (2003) Virginia Polytechnic Institute and State University 2D 3D TSV
14633714 18 Tumor suppression by a rationally designed reversible inhibitor of methionine aminopeptidase-2.BDB Cancer Res 63: 7861-9 (2003) Abbott Laboratories 2D 3D TSV
14623007 5 Structure-activity relationship in the oxazolidinone-quinolone hybrid series: influence of the central spacer on the antibacterial activity and the mode of action.EBI Bioorg Med Chem Lett 13: 4229-33 (2003) Morphochem AG 2D 3D TSV
14623005 10 Iclaprim, a novel diaminopyrimidine with potent activity on trimethoprim sensitive and resistant bacteria.BDB Bioorg Med Chem Lett 13: 4217-21 (2003) GSK 2D 3D TSV
14623004 1 Novel oxazolidinone-quinolone hybrid antimicrobials.EBI Bioorg Med Chem Lett 13: 4213-6 (2003) Vicuron Pharmaceuticals Inc. 2D 3D TSV
14623002 4 MexAB-OprM specific efflux pump inhibitors in Pseudomonas aeruginosa. Part 2: achieving activity in vivo through the use of alternative scaffolds.EBI Bioorg Med Chem Lett 13: 4205-8 (2003) Daiichi Pharmaceutical Co., Ltd. 2D 3D TSV
14622994 1 Semi-synthetic glycopeptide antibacterials.EBI Bioorg Med Chem Lett 13: 4165-8 (2003) Theravance, Inc., 901 Gateway Blvd., South San Francisco, CA 94080, USA. judice@gene.com 2D 3D TSV
14622012 54 Multidrug resistance to HIV-1 protease inhibition requires cooperative coupling between distal mutations.BDB Biochemistry 42: 13659-66 (2003) The Johns Hopkins University 2D 3D TSV
14613329 11 Synthesis of second-generation transition state analogues of human purine nucleoside phosphorylase.EBI J Med Chem 46: 5271-6 (2003) Industrial Research Limited 2D 3D TSV
14613328 10 Rational design and synthesis of androgen receptor-targeted nonsteroidal anti-androgen ligands for the tumor-specific delivery of a doxorubicin-formaldehyde conjugate.EBI J Med Chem 46: 5258-70 (2003) University of Colorado 2D 3D TSV
14613327 46 5,6,7-trisubstituted 4-aminopyrido[2,3-d]pyrimidines as novel inhibitors of adenosine kinase.EBI J Med Chem 46: 5249-57 (2003) Abbott Laboratories 2D 3D TSV
14613323 10 Synthesis, activity, and molecular modeling studies of novel human aldose reductase inhibitors based on a marine natural product.EBI J Med Chem 46: 5208-21 (2003) Instituto Biomar, S.A. 2D 3D TSV
14613322 12 Dimerization inhibitors of HIV-1 protease based on a bicyclic guanidinium subunit.EBI J Med Chem 46: 5196-207 (2003) Universidad Aut£noma de Madrid 2D 3D TSV
14613321 28 Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors.BDB J Med Chem 46: 5184-95 (2003) Aventis Pharma 2D 3D TSV
14613320 186 3-D QSAR investigations of the inhibition of Leishmania major farnesyl pyrophosphate synthase by bisphosphonates.EBI J Med Chem 46: 5171-83 (2003) University of Illinois at Urbana-Champaign 2D 3D TSV
14613319 93 Design and synthesis of novel dimeric morphinan ligands for kappa and micro opioid receptors.EBI J Med Chem 46: 5162-70 (2003) Harvard Medical School 2D 3D TSV
14613317 14 An aromatic microdomain at the cannabinoid CB(1) receptor constitutes an agonist/inverse agonist binding region.EBI J Med Chem 46: 5139-52 (2003) Forbes Norris ALS/MDA Research Center 2D 3D TSV
14613314 53 Design and synthesis of a potent and selective triazolone-based peroxisome proliferator-activated receptor alpha agonist.EBI J Med Chem 46: 5121-4 (2003) Division of Eli Lilly & Company 2D 3D TSV
14613312 106 Histone deacetylase inhibitors.EBI J Med Chem 46: 5097-116 (2003) Aton Pharma, Inc 2D 3D TSV
14613121 8 Rapid diversity-oriented synthesis in microtiter plates for in situ screening of HIV protease inhibitors.BDB Chembiochem 4: 1246-8 (2003) The Scripps Research Institute 2D 3D TSV
14611859 3 Two antiviral compounds from the plant Stylogne cauliflora as inhibitors of HCV NS3 protease.EBI Bioorg Med Chem Lett 13: 2925-8 (2003) Schering-Plough Research Institute 2D 3D TSV
14611858 65 1H-Pyrazolo-[3,4-c]cyclophepta[1,2-c]thiophenes: a unique structural class of dopamine D4 selective ligands.EBI Bioorg Med Chem Lett 13: 2921-4 (2003) Neurogen Corporation 2D 3D TSV
14611855 42 Microcystin analogues comprised only of Adda and a single additional amino acid retain moderate activity as PP1/PP2A inhibitors.EBI Bioorg Med Chem Lett 13: 2907-11 (2003) University of California at Irvine 2D 3D TSV
14611854 18 Linearized and truncated microcystin analogues as inhibitors of protein phosphatases 1 and 2A.EBI Bioorg Med Chem Lett 13: 2903-6 (2003) University of California at Irvine 2D 3D TSV
14611852 34 Identification of a novel class of orally active pyrimido[5,4-3][1,2,4]triazine-5,7-diamine-based hypoglycemic agents with protein tyrosine phosphatase inhibitory activity.EBI Bioorg Med Chem Lett 13: 2895-8 (2003) Roche Research Center 2D 3D TSV
14611851 7 Antitumor agents. Part 226: synthesis and cytotoxicity of 2-phenyl-4-quinolone acetic acids and their esters.EBI Bioorg Med Chem Lett 13: 2891-3 (2003) University of North Carolina 2D 3D TSV
14611850 8 Cage amines as the stopper inhibitors of cholinesterases.EBI Bioorg Med Chem Lett 13: 2887-90 (2003) National Chung-Hsing University 2D 3D TSV
14611849 16 Differentially functionalized diamines as novel ligands for the NPY2 receptor.EBI Bioorg Med Chem Lett 13: 2883-5 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14611847 20 Prolylisoxazoles: potent inhibitors of prolyloligopeptidase with antitrypanosomal activity.EBI Bioorg Med Chem Lett 13: 2875-8 (2003) University of Antwerp 2D 3D TSV
14611846 101 Carbonic anhydrase inhibitors: topically acting antiglaucoma sulfonamides incorporating esters and amides of 3- and 4-carboxybenzolamide.EBI Bioorg Med Chem Lett 13: 2867-73 (2003) Universit£ degli Studi 2D 3D TSV
14611841 10 MMPs inhibitors: new succinylhydroxamates with selective inhibition of MMP-2 over MMP-3.EBI Bioorg Med Chem Lett 13: 2843-6 (2003) UMR/CNRS 6013 2D 3D TSV
14611839 36 Synthesis and antimycobacterial activity of capuramycin analogues. Part 2: acylated derivatives of capuramycin-related compounds.EBI Bioorg Med Chem Lett 13: 2833-6 (2003) Exploratory Chemistry Research Laboratories, Sankyo Co., Ltd., Tokyo, Japan. hotoda@hq.sankyo.co.jp 2D 3D TSV
14611838 73 Synthesis and antimycobacterial activity of capuramycin analogues. Part 1: substitution of the azepan-2-one moiety of capuramycin.EBI Bioorg Med Chem Lett 13: 2829-32 (2003) Sankyo Co., Ltd. 2D 3D TSV
14611837 18 Synthesis and nicotinic binding of novel phenyl derivatives of UB-165. Identifying factors associated with alpha7 selectivity.EBI Bioorg Med Chem Lett 13: 2825-8 (2003) University of Bristol 2D 3D TSV
14610240 8 Pharmacological and genetic characterization of two selective serotonin transporter ligands: 2-[2-(dimethylaminomethylphenylthio)]-5-fluoromethylphenylamine (AFM) and 3-amino-4-[2-(dimethylaminomethyl-phenylthio)]benzonitrile (DASB).BDB J Pharmacol Exp Ther 308: 481-6 (2004) National Institutes of Health 2D 3D TSV
14606817 9 Synthesis of a diverse library of mechanism-based cysteine protease inhibitors.BDB J Comb Chem 5: 869-80 University of California-Berkeley 2D 3D TSV
14593182 34 Prevention of organ allograft rejection by a specific Janus kinase 3 inhibitor.EBI Science 302: 875-878 (2003) Pfizer Global Researchand Development 2D 3D TSV
14592525 18 High affinity, bioavailable 3-amino-1,4-benzodiazepine-based gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 13: 4143-5 (2003) Merck Sharp & Dohme Research Laboratories 2D 3D TSV
14592523 42 Synthesis and biological activity of 2-carbomethoxy-3-catechol-8-azabicyclo[3.2.1]octanes.EBI Bioorg Med Chem Lett 13: 4133-7 (2003) Organix Inc. 2D 3D TSV
14592521 50 A new class of glycogen phosphorylase inhibitors.EBI Bioorg Med Chem Lett 13: 4125-8 (2003) Merck Research Laboratories 2D 3D TSV
14592520 41 N-arylaminonitriles as bioavailable peptidomimetic inhibitors of cathepsin B.EBI Bioorg Med Chem Lett 13: 4121-4 (2003) Novartis Institute of Biomedical Research 2D 3D TSV
14592516 11 Inhibitory effects on mitochondrial complex I of semisynthetic mono-tetrahydrofuran acetogenin derivatives.EBI Bioorg Med Chem Lett 13: 4101-5 (2003) Universidad de Valencia 2D 3D TSV
14592514 8 Utility of boron clusters for drug design. Relation between estrogen receptor binding affinity and hydrophobicity of phenols bearing various types of carboranyl groups.EBI Bioorg Med Chem Lett 13: 4089-92 (2003) Tohoku Pharmaceutical University 2D 3D TSV
14592513 24 Structure-activity relationship of benzo[b]thiophene-2-sulfonamide derivatives as novel human chymase inhibitors.EBI Bioorg Med Chem Lett 13: 4085-8 (2003) Toa Eiyo Ltd. 2D 3D TSV
14592510 150 Design and synthesis of novel RXR-selective modulators with improved pharmacological profile.EBI Bioorg Med Chem Lett 13: 4071-5 (2003) Ligand Pharmaceuticals Inc 2D 3D TSV
14592508 23 Inhibitors of hepatitis C virus NS3.4A protease 1. Non-charged tetrapeptide variants.EBI Bioorg Med Chem Lett 13: 4059-63 (2003) Vertex Pharmaceuticals Inc. 2D 3D TSV
14592505 7 Hit-to-Lead studies: the discovery of potent adamantane amide P2X7 receptor antagonists.EBI Bioorg Med Chem Lett 13: 4047-50 (2003) AstraZeneca R&D Charnwood 2D 3D TSV
14592504 23 Novel P2X7 receptor antagonists.EBI Bioorg Med Chem Lett 13: 4043-6 (2003) AstraZeneca 2D 3D TSV
14592501 33 2,5-disubstituted 3,4-dihydro-2H-benzo[b][1,4]thiazepines as potent and selective V2 arginine vasopressin receptor antagonists.EBI Bioorg Med Chem Lett 13: 4031-4 (2003) Johnson & Johnson Pharmaceutical Research & Development L.L.C. 2D 3D TSV
14592500 29 Novel HIV-1 protease inhibitors active against multiple PI-resistant viral strains: coadministration with indinavir.BDB Bioorg Med Chem Lett 13: 4027-30 (2003) Merck Research Laboratories 2D 3D TSV
14592497 12 Synthesis and affinity of a possible byproduct of electrophilic radiolabeling of [123I]IBZM.EBI Bioorg Med Chem Lett 13: 4015-7 (2003) Yale University 2D 3D TSV
14592495 60 Discovery and initial SAR of 2-amino-5-carboxamidothiazoles as inhibitors of the Src-family kinase p56(Lck).EBI Bioorg Med Chem Lett 13: 4007-10 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14592494 123 Pyridone-containing farnesyltransferase inhibitors: synthesis and biological evaluation.EBI Bioorg Med Chem Lett 13: 4001-5 (2003) Abbott Laboratories 2D 3D TSV
14592493 30 2-arylaminothiazoles as high-affinity corticotropin-releasing factor 1 receptor (CRF1R) antagonists: synthesis, binding studies and behavioral efficacy.EBI Bioorg Med Chem Lett 13: 3997-4000 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14592490 80 Benzyl vinylogous amide substituted aryldihydropyridazinones and aryldimethylpyrazolones as potent and selective PDE3B inhibitors.BDB Bioorg Med Chem Lett 13: 3983-7 (2003) Merck Research Laboratories 2D 3D TSV
14592489 71 SAR of 3,4-dihydropyrido[3,2-d]pyrimidone p38 inhibitors.EBI Bioorg Med Chem Lett 13: 3979-82 (2003) Merck Research Laboratories 2D 3D TSV
14592488 2 Synthesis of novel fluorescent probes for the molecular chaperone Hsp90.EBI Bioorg Med Chem Lett 13: 3975-8 (2003) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
14592485 8 Synthesis of 2-fluoronoraristeromycin and its inhibitory activity against Plasmodium falciparum S-adenosyl-L-homocysteine hydrolase.EBI Bioorg Med Chem Lett 13: 3963-5 (2003) Gifu University 2D 3D TSV
14592481 18 Identification of a monoacid-based, cell permeable, selective inhibitor of protein tyrosine phosphatase 1B.BDB Bioorg Med Chem Lett 13: 3947-50 (2003) Abbott Laboratories 2D 3D TSV
14592479 60 Advances toward new antidepressants beyond SSRIs: 1-aryloxy-3-piperidinylpropan-2-ols with dual 5-HT1A receptor antagonism/SSRI activities. Part 3.EBI Bioorg Med Chem Lett 13: 3939-42 (2003) Lilly Research Laboratories 2D 3D TSV
14592473 35 Heterocyclic ketones as inhibitors of histone deacetylase.EBI Bioorg Med Chem Lett 13: 3909-13 (2003) Medicinal Chemistry Technologies, Abbott Laboratories, 100 Abbott Park Road, Abbott Park, IL 60064, USA. anil.vasudevan@abbott.com 2D 3D TSV
14592472 15 Green tea catechins as a BACE1 (beta-secretase) inhibitor.EBI Bioorg Med Chem Lett 13: 3905-8 (2003) Kyungpook National University 2D 3D TSV
14586168 1 Human organic anion transporter 3 (hOAT3) can operate as an exchanger and mediate secretory urate flux.EBI Cell Physiol Biochem 13: 249-56 (2003) Georg-August-Universit£t 2D 3D TSV
14584960 11 Estrogenic potential of 2-alkyl-4-(thio)chromenone 6-O-sulfamates: potent inhibitors of human steroid sulfatase.EBI J Med Chem 46: 5091-4 (2003) Novartis Research Institute Vienna 2D 3D TSV
14584959 55 Molecular docking studies of natural cholinesterase-inhibiting steroidal alkaloids from Sarcococca saligna.EBI J Med Chem 46: 5087-90 (2003) University of Innsbruck 2D 3D TSV
14584957 59 Synthesis and biological evaluation of 2,4-diamino-6-(arylaminomethyl)pyrido[2,3-d]pyrimidines as inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase and as antiopportunistic infection and antitumor agents.EBI J Med Chem 46: 5074-82 (2003) Duquesne University 2D 3D TSV
14584954 9 Synthesis and biological evaluation of 5-substituted derivatives of the potent antiherpes agent (north)-methanocarbathymine.EBI J Med Chem 46: 5045-54 (2003) National Cancer Institute at Frederick 2D 3D TSV
14584950 132 Design, synthesis, and SAR of potent and selective dipeptide-derived inhibitors for dipeptidyl peptidases.EBI J Med Chem 46: 5005-14 (2003) University of Antwerp (UIA) 2D 3D TSV
14584948 26 2-Substitution of adenine nucleotide analogues containing a bicyclo[3.1.0]hexane ring system locked in a northern conformation: enhanced potency as P2Y1 receptor antagonists.EBI J Med Chem 46: 4974-87 (2003) NIDDK 2D 3D TSV
14584947 108 Structure-activity relationships of gamma-MSH analogues at the human melanocortin MC3, MC4, and MC5 receptors. Discovery of highly selective hMC3R, hMC4R, and hMC5R analogues.EBI J Med Chem 46: 4965-73 (2003) University of Arizona 2D 3D TSV
14584943 14 Synthesis, characterization, and biological properties of 8-azido- and 8-amino-substituted 2',5'-oligoadenylates.EBI J Med Chem 46: 4926-32 (2003) Gunma University 2D 3D TSV
14584942 91 Potent and selective inhibitors of platelet-derived growth factor receptor phosphorylation. 3. Replacement of quinazoline moiety and improvement of metabolic polymorphism of 4-[4-(N-substituted (thio)carbamoyl)-1-piperazinyl]-6,7-dimethoxyquinazoline derivatives.EBI J Med Chem 46: 4910-25 (2003) Pharmaceutical Research Institute 2D 3D TSV
14584939 32 Large dimeric ligands with favorable pharmacokinetic properties and peroxisome proliferator-activated receptor agonist activity in vitro and in vivo.EBI J Med Chem 46: 4883-94 (2003) Novo Nordisk A/S 2D 3D TSV
14584938 48 Design, synthesis, and biological evaluation of 6-substituted-3-(4-methanesulfonylphenyl)-4-phenylpyran-2-ones: a novel class of diarylheterocyclic selective cyclooxygenase-2 inhibitors.EBI J Med Chem 46: 4872-82 (2003) University of Alberta 2D 3D TSV
14584936 39 Modeling the adenosine receptors: comparison of the binding domains of A2A agonists and antagonists.EBI J Med Chem 46: 4847-59 (2003) NIDDK 2D 3D TSV
14584934 15 Identification of a potent and selective 5-HT(6) antagonist: one-step synthesis of (E)-3-(benzenesulfonyl)-2- (methylsulfanyl)pyrido[1,2-a]pyrimidin-4-ylidenamine from 2-(benzenesulfonyl)-3,3-bis(methylsulfanyl)acrylonitrile.EBI J Med Chem 46: 4834-7 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14584932 23 Discovery of (aryloxopropenyl)pyrrolyl hydroxyamides as selective inhibitors of class IIa histone deacetylase homologue HD1-A.EBI J Med Chem 46: 4826-9 (2003) Universit£ degli Studi di Roma"La Sapienza" 2D 3D TSV
14575438 4 Semiplenamides A-G, fatty acid amides from a Papua New Guinea collection of the marine cyanobacterium Lyngbya semiplena.EBI J Nat Prod 66: 1364-8 (2003) Oregon State University 2D 3D TSV
14575434 35 Chemistry and structure-activity relationship of HIV-1 integrase inhibitor integracide B and related natural products.EBI J Nat Prod 66: 1338-44 (2003) Merck Research Laboratories 2D 3D TSV
14573386 17 Comparison of effects of dual transporter inhibitors on monoamine transporters and extracellular levels in rats.BDB Neuropharmacology 45: 935-44 (2003) Lilly Research Laboratories 2D 3D TSV
14564311 4 Selective COX-2 inhibition and cardiovascular effects: a review of the rofecoxib development program.BDB Am Heart J 146: 591-604 (2003) University of Maryland Hospital 2D 3D TSV
14561099 9 Inhibition of human immunodeficiency virus reverse transcriptase by synadenol triphosphate and its E-isomer.EBI J Med Chem 46: 4799-802 (2003) Wayne State University School of Medicine 2D 3D TSV
14561098 8 Nonpeptide alphavbeta3 antagonists. 8. In vitro and in vivo evaluation of a potent alphavbeta3 antagonist for the prevention and treatment of osteoporosis.EBI J Med Chem 46: 4790-8 (2003) Merck Research Laboratories 2D 3D TSV
14561096 16 Finding discriminating structural features by reassembling common building blocks.EBI J Med Chem 46: 4770-5 (2003) Leadscope, Inc. 2D 3D TSV
14561094 20 Adenosine kinase inhibitors. 3. Synthesis, SAR, and antiinflammatory activity of a series of l-lyxofuranosyl nucleosides.EBI J Med Chem 46: 4750-60 (2003) Metabasis Therapeutics, Inc. 2D 3D TSV
14561091 15 Azasterols as inhibitors of sterol 24-methyltransferase in Leishmania species and Trypanosoma cruzi.EBI J Med Chem 46: 4714-27 (2003) Cardiff University 2D 3D TSV
14561090 21 Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.BDB J Med Chem 46: 4702-13 (2003) Roche Palo Alto LLC 2D 3D TSV
14561089 6 Design, synthesis, and crystal structure of selective 2-pyridone tissue factor VIIa inhibitors.BDB J Med Chem 46: 4696-701 (2003) Pharmacia Corporation 2D 3D TSV
14561088 5 Molecular determinants of steroid inhibition for the mouse constitutive androstane receptor.EBI J Med Chem 46: 4687-95 (2003) University of Kuopio 2D 3D TSV
14561087 27 Structure-activity relationships of the p38alpha MAP kinase inhibitor 1-(5-tert-butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(2-morpholin-4-yl-ethoxy)naph- thalen-1-yl]urea (BIRB 796).BDB J Med Chem 46: 4676-86 (2003) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
14561086 14 Thermal denaturation: a method to rank slow binding, high-affinity P38alpha MAP kinase inhibitors.BDB J Med Chem 46: 4669-75 (2003) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
14561085 94 Receptor-guided alignment-based comparative 3D-QSAR studies of benzylidene malonitrile tyrphostins as EGFR and HER-2 kinase inhibitors.EBI J Med Chem 46: 4657-68 (2003) University of Tennessee Health Sciences Center 2D 3D TSV
14561081 29 Thienyl and phenyl alpha-halomethyl ketones: new inhibitors of glycogen synthase kinase (GSK-3 beta) from a library of compound searching.BDB J Med Chem 46: 4631-3 (2003) Instituto de Quimica Medica (CSIC) 2D 3D TSV
14561080 9 Human beta-secretase (BACE) and BACE inhibitors.EBI J Med Chem 46: 4625-30 (2003) Elan Pharmaceuticals 2D 3D TSV
14552799 14 Sulphonamide-based small molecule VLA-4 antagonists.EBI Bioorg Med Chem Lett 13: 3875-8 (2003) Molecumetics 2D 3D TSV
14552795 13 Indole-2-carboxamides as novel NR2B selective NMDA receptor antagonists.EBI Bioorg Med Chem Lett 13: 3859-61 (2003) Gedeon Richter Ltd. 2D 3D TSV
14552792 53 Studies on cyclin-dependent kinase inhibitors: indolo-[2,3-a]pyrrolo[3,4-c]carbazoles versus bis-indolylmaleimides.BDB Bioorg Med Chem Lett 13: 3841-6 (2003) DCR&T, Lilly Spain S.A. 2D 3D TSV
14552791 35 Aryl[a]pyrrolo[3,4-c]carbazoles as selective cyclin D1-CDK4 inhibitors.EBI Bioorg Med Chem Lett 13: 3835-9 (2003) Lilly Spain S.A. 2D 3D TSV
14552788 36 Synthesis and biological evaluation of 4-[(3-methyl-3H-imidazol-4-yl)-(2-phenylethynyl-benzyloxy)-methyl]-benzonitrile as novel farnesyltransferase inhibitor.EBI Bioorg Med Chem Lett 13: 3821-5 (2003) Abbott Laboratories 2D 3D TSV
14552787 28 A novel series of histone deacetylase inhibitors incorporating hetero aromatic ring systems as connection units.EBI Bioorg Med Chem Lett 13: 3817-20 (2003) Cancer Research, Abbott Laboratories, Department R47J, Building AP10, 100 Abbott Park Road, Abbott Park, IL 60031, USA. yujia.dai@abbott.com 2D 3D TSV
14552786 88 Structure-activity relationship of triaryl propionic acid analogues on the human EP3 prostanoid receptor.EBI Bioorg Med Chem Lett 13: 3813-6 (2003) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
14552782 13 Investigation of the effect of varying the 4-anilino and 7-alkoxy groups of 3-quinolinecarbonitriles on the inhibition of Src kinase activity.BDB Bioorg Med Chem Lett 13: 3797-800 (2003) Wyeth Research 2D 3D TSV
14552781 45 Aryl piperazine melanocortin MC4 receptor agonists.EBI Bioorg Med Chem Lett 13: 3793-6 (2003) Neurocrine Biosciences Inc. 2D 3D TSV
14552779 10 Synthesis and antimalarial evaluation of new 1,4-bis(3-aminopropyl)piperazine derivatives.EBI Bioorg Med Chem Lett 13: 3783-7 (2003) Universit£ de Lille II 2D 3D TSV
14552778 18 The acute EPS of haloperidol may be unrelated to its metabolic transformation to BCPP+.EBI Bioorg Med Chem Lett 13: 3779-82 (2003) Florida A & M University 2D 3D TSV
14552774 13 The total synthesis of an aurone isolated from Uvaria hamiltonii: aurones and flavones as anticancer agents.EBI Bioorg Med Chem Lett 13: 3759-63 (2003) Cardiff University 2D 3D TSV
14552773 59 Exploring selectivity requirements for COX-2 versus COX-1 binding of 3,4-diaryloxazolones using E-state index.EBI Bioorg Med Chem Lett 13: 3753-7 (2003) Jadavpur University 2D 3D TSV
14552767 22 A novel class of apical sodium co-dependent bile acid transporter inhibitors: the 1,2-benzothiazepines.EBI Bioorg Med Chem Lett 13: 3727-30 (2003) Pfizer Global Research and Development 2D 3D TSV
14552766 12 Synthesis and X-ray crystal structures of substituted fluorobenzene and benzoquinone inhibitors of the tissue factor VIIa complex.EBI Bioorg Med Chem Lett 13: 3721-5 (2003) Pharmacia Corporation 2D 3D TSV
14552764 5 A general synthesis of 1-aryl carbamoyl-2-alkyl-4-aryl substituted semicarbazides as nonbasic factor Xa inhibitors.EBI Bioorg Med Chem Lett 13: 3715-8 (2003) Merck KGaA 2D 3D TSV
14552762 12 Identification of a novel class of inhibitor of human and Escherichia coli thymidine phosphorylase by in silico screening.EBI Bioorg Med Chem Lett 13: 3705-9 (2003) University of Manchester 2D 3D TSV
14552758 18 Biphenyl-based analogues of thiolactomycin, active against Mycobacterium tuberculosis mtFabH fatty acid condensing enzyme.EBI Bioorg Med Chem Lett 13: 3685-8 (2003) The University of Birmingham 2D 3D TSV
14552757 9 Biological evaluation of sphingomyelin analogues as inhibitors of sphingomyelinase.EBI Bioorg Med Chem Lett 13: 3681-4 (2003) Taisho Pharmaceutical Co., Ltd. 2D 3D TSV
14552755 28 Nortropinyl-arylsulfonylureas as novel, reversible inhibitors of human steroid sulfatase.EBI Bioorg Med Chem Lett 13: 3673-7 (2003) Novartis Research Institute Vienna 2D 3D TSV
14552752 16 Pyrazino[1,2-a]indole-1,4-diones, simple analogues of gliotoxin, as selective inhibitors of geranylgeranyltransferase I.EBI Bioorg Med Chem Lett 13: 3661-3 (2003) Imperial College of Science 2D 3D TSV
14552750 35 Identification of potent and novel small-molecule inhibitors of caspase-3.BDB Bioorg Med Chem Lett 13: 3651-5 (2003) Sunesis Pharmaceuticals 2D 3D TSV
14552748 8 Design and synthesis of a new fluorescent probe for cytochrome P450 3A4 (CYP 3A4).EBI Bioorg Med Chem Lett 13: 3643-5 (2003) University of Basel 2D 3D TSV
14534366 25 Comparison of [Dmt1]DALDA and DAMGO in binding and G protein activation at mu, delta, and kappa opioid receptors.BDB J Pharmacol Exp Ther 307: 947-54 (2003) Cornell University 2D 3D TSV
14522962 24 Identification of human glutaminyl cyclase as a metalloenzyme. Potent inhibition by imidazole derivatives and heterocyclic chelators.BDB J Biol Chem 278: 49773-9 (2003) Probiodrug AG 2D 3D TSV
14522054 98 Discovery of inhibitors that elucidate the role of UCH-L1 activity in the H1299 lung cancer cell line.BDB Chem Biol 10: 837-46 (2003) Brigham and Women's Hospital 2D 3D TSV
14521416 29 New prolyl oligopeptidase inhibitors developed from dicarboxylic acid bis(l-prolyl-pyrrolidine) amides.EBI J Med Chem 46: 4543-51 (2003) University of Kuopio 2D 3D TSV
14521415 44 The discovery of tadalafil: a novel and highly selective PDE5 inhibitor. 2: 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione analogues.EBI J Med Chem 46: 4533-42 (2003) Centre de Recherches 2D 3D TSV
14521414 44 The discovery of tadalafil: a novel and highly selective PDE5 inhibitor. 1: 5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione analogues.EBI J Med Chem 46: 4525-32 (2003) Centre de Recherches 2D 3D TSV
14521412 103 Generation of predictive pharmacophore models for CCR5 antagonists: study with piperidine- and piperazine-based compounds as a new class of HIV-1 entry inhibitors.EBI J Med Chem 46: 4501-15 (2003) Lindsley F. Kimball Research Institute of The New York Blood Center 2D 3D TSV
14521410 36 Identification and prediction of promiscuous aggregating inhibitors among known drugs.EBI J Med Chem 46: 4477-86 (2003) Northwestern University 2D 3D TSV
14521409 38 Trisubstituted acridine derivatives as potent and selective telomerase inhibitors.EBI J Med Chem 46: 4463-76 (2003) University of London 2D 3D TSV
14521407 87 Design and synthesis of pyrrolidine-5,5'-trans-lactams (5-oxo-hexahydropyrrolo[3,2-b]pyrroles) as novel mechanism-based inhibitors of human cytomegalovirus protease. 4. Antiviral activity and plasma stability.EBI J Med Chem 46: 4428-49 (2003) GlaxoSmithKline Research and Development 2D 3D TSV
14521405 29 Structure-based design of novel guanidine/benzamidine mimics: potent and orally bioavailable factor Xa inhibitors as novel anticoagulants.BDB J Med Chem 46: 4405-18 (2003) Bristol-Myers Squibb Company 2D 3D TSV
14521404 10 Docking studies on alphavbeta3 integrin ligands: pharmacophore refinement and implications for drug design.EBI J Med Chem 46: 4393-404 (2003) Technische Universit£t M£nchen 2D 3D TSV
14521403 49 Molecular modeling of the three-dimensional structure of dopamine 3 (D3) subtype receptor: discovery of novel and potent D3 ligands through a hybrid pharmacophore- and structure-based database searching approach.EBI J Med Chem 46: 4377-92 (2003) University of Michigan 2D 3D TSV
14517179 5 WAY-855 (3-amino-tricyclo[2.2.1.02.6]heptane-1,3-dicarboxylic acid): a novel, EAAT2-preferring, nonsubstrate inhibitor of high-affinity glutamate uptake.BDB Br J Pharmacol 140: 839-46 (2003) Wyeth Research 2D 3D TSV
14516196 21 The structural basis for the selectivity of benzotriazole inhibitors of PTP1B.BDB Biochemistry 42: 11451-9 (2003) Merck Research Laboratories 2D 3D TSV
14510601 2 New bioactive diterpene polyesters from Euphorbia decipiens.EBI J Nat Prod 66: 1221-4 (2003) University of Karachi 2D 3D TSV
14510598 1 Constituents from the leaves of Phellodendron amurense var. wilsonii and their bioactivity.EBI J Nat Prod 66: 1207-11 (2003) National Cheng Kung University 2D 3D TSV
14510595 25 Structures of new friedelane-type triterpenes and eudesmane-type sesquiterpene and aldose reductase inhibitors from Salacia chinensis.EBI J Nat Prod 66: 1191-6 (2003) Kyoto Pharmaceutical University 2D 3D TSV
14505683 6 Structure-activity relationships within a series of caspase inhibitors: effect of leaving group modifications.EBI Bioorg Med Chem Lett 13: 3623-6 (2003) Idun Pharmaceuticals, Inc. 2D 3D TSV
14505682 29 Synthesis and structure-activity relationships of thieno[2,3-d]pyrimidine-2,4-dione derivatives as potent GnRH receptor antagonists.EBI Bioorg Med Chem Lett 13: 3617-22 (2003) Neurocrine Biosciences, Inc. 2D 3D TSV
14505681 63 4-(2-pyridyl)piperazine-1-carboxamides: potent vanilloid receptor 1 antagonists.EBI Bioorg Med Chem Lett 13: 3611-6 (2003) Purdue Pharma L.P. 2D 3D TSV
14505679 43 1,2,5,6-tetra-O-benzyl-D-mannitol derivatives as novel HIV protease inhibitors.BDB Bioorg Med Chem Lett 13: 3601-5 (2003) Pharmacor Inc 2D 3D TSV
14505678 21 Design and synthesis of novel CCR3 antagonists.EBI Bioorg Med Chem Lett 13: 3597-600 (2003) Roche Palo Alto 2D 3D TSV
14505677 28 Structure-activity relationship studies on 2-heteroaryl-4-arylimidazoles NPY5 receptor antagonists.EBI Bioorg Med Chem Lett 13: 3593-6 (2003) Pfizer Global Research and Development 2D 3D TSV
14505672 78 Synthesis and pharmacological evaluation of (Z)-9-(heteroarylmethylene)-7-azatricyclo[4.3.1.0(3,7)]decanes: thiophene analogues as potent norepinephrine transporter inhibitors.EBI Bioorg Med Chem Lett 13: 3565-9 (2003) Georgetown University Medical Center 2D 3D TSV
14505670 36 3-cyanoindole-based inhibitors of inosine monophosphate dehydrogenase: synthesis and initial structure-activity relationships.EBI Bioorg Med Chem Lett 13: 3557-60 (2003) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
14505666 99 Aryloxazolidinediones: identification of potent orally active PPAR dual alpha/gamma agonists.EBI Bioorg Med Chem Lett 13: 3541-4 (2003) Merck Research Laboratories 2D 3D TSV
14505664 17 Synthesis and evaluation of tripeptidyl alpha-ketoamides as human rhinovirus 3C protease inhibitors.EBI Bioorg Med Chem Lett 13: 3531-6 (2003) Lilly Research Laboratories 2D 3D TSV
14505663 43 Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain.EBI Bioorg Med Chem Lett 13: 3527-30 (2003) University of Cape Town 2D 3D TSV
14505655 61 A catch-and-release strategy for the combinatorial synthesis of 4-acylamino-1,3-thiazoles as potential CDK5 inhibitors.EBI Bioorg Med Chem Lett 13: 3491-5 (2003) Pharmacia Corporation 2D 3D TSV
14505654 14 Synthesis and testing of novel phenyl substituted side-chain analogues of classical cannabinoids.EBI Bioorg Med Chem Lett 13: 3487-90 (2003) University of Tennessee-Memphis 2D 3D TSV
14505653 9 Pyrimido[1,2-b]-1,2,4,5-tetrazin-6-ones as HCMV protease inhibitors: a new class of heterocycles with flavin-like redox properties.EBI Bioorg Med Chem Lett 13: 3483-6 (2003) Wyeth Research 2D 3D TSV
14505652 45 Unexpected enhancement of thrombin inhibitor potency with o-aminoalkylbenzylamides in the P1 position.EBI Bioorg Med Chem Lett 13: 3477-82 (2003) Merck Research Laboratories 2D 3D TSV
14505649 21 Synthesis and glycosidase inhibitory activity of some N-substituted 6-deoxy-5a-carba-beta-DL- and L-galactopyranosylamines.EBI Bioorg Med Chem Lett 13: 3461-3 (2003) Keio University 2D 3D TSV
14505648 8 Design and synthesis of small chemical inhibitors containing different scaffolds for lck SH2 domain.EBI Bioorg Med Chem Lett 13: 3455-9 (2003) Mogam Biotechnology Research Institute 2D 3D TSV
14505640 38 (R)-3-(N-methylpyrrolidin-2-ylmethyl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole derivatives as high affinity h5-HT1B/1D ligands.EBI Bioorg Med Chem Lett 13: 3419-21 (2003) NPS Pharmaceuticals Inc. 2D 3D TSV
14505637 40 Glucose-lowering in a db/db mouse model by dihydropyridine diacid glycogen phosphorylase inhibitors.EBI Bioorg Med Chem Lett 13: 3405-8 (2003) Merck Research Laboratories 2D 3D TSV
14505636 51 Synthesis of para-alkyl aryl amide analogues of sphingosine-1-phosphate: discovery of potent S1P receptor agonists.EBI Bioorg Med Chem Lett 13: 3401-4 (2003) University of Virginia 2D 3D TSV
14504130 10 The rabbit motilin receptor: molecular characterisation and pharmacology.BDB Br J Pharmacol 140: 948-54 (2003) GlaxoSmithKline 2D 3D TSV
14500743 60 Carbamoylcholine homologs: novel and potent agonists at neuronal nicotinic acetylcholine receptors.BDB Mol Pharmacol 64: 865-75 (2003) The Danish University of Pharmaceutical Sciences 2D 3D TSV
14500740 13 Differential activation of formyl peptide receptor signaling by peptide ligands.BDB Mol Pharmacol 64: 841-7 (2003) Pohang University of Science and Technology 2D 3D TSV
14285251 37 INTERACTION OF AROMATIC COMPOUNDS WITH ALPHA-CHYMOTRYPSIN. II. COMBINATION OF THE ISOMERIC INDOLE CARBOXAMIDES AND CARBOXYLATE IONS WITH THE ACTIVE SITE.BDB Biochemistry 4: 99-104 (1965) California Institute of Technology 2D 3D TSV

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