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18998663 61 Synthesis and structure-activity relationship studies of 2-(N-substituted)-aminobenzimidazoles as potent negative gating modulators ofsmall conductance Ca2+-activated K+ channels.EBI J Med Chem 51: 7625-34 (2009) NeuroSearch A/S 2D 3D TSV
18998662 15 Design, Structure-Activity Relationships, X-ray Crystal Structure, and Energetic Contributions of a Critical P1 Pharmacophore: 3-Chloroindole-7-yl-Based Factor Xa Inhibitors.BDB J Med Chem 51: 7541-51 (2008) Bristol-Myers Squibb Company 2D 3D TSV
18996701 38 Novel potent and highly selective human A(3) adenosine receptor antagonists belonging to the 4-amido-2-arylpyrazolo[3,4-c]quinoline series: molecular docking analysis and pharmacological studies.EBI Bioorg Med Chem 17: 401-10 (2008) Università di Firenze 2D 3D TSV
18996694 30 Synthesis and biological evaluation of homopiperazine derivatives with beta-aminoacyl group as dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 18: 6525-9 (2008) Korea Research Institute of Chemical Technology 2D 3D TSV
18996693 14 Synthesis and biological evaluation of helicid analogues as mushroom tyrosinase inhibitors.EBI Bioorg Med Chem Lett 18: 6490-3 (2008) Sun Yat-sen University 2D 3D TSV
18996691 24 Synthesis and biological evaluation of novel sulfonyl-naphthalene-1,4-diols as FabH inhibitors.EBI Bioorg Med Chem Lett 18: 6402-5 (2008) Portland State University 2D 3D TSV
18996021 1 1-Deoxygalactonojirimycin-lysine hybrids as potent D-galactosidase inhibitors.EBI Bioorg Med Chem 16: 10216-20 (2008) Technische Universität Graz 2D 3D TSV
18996018 42 Novel 3-phenylpropane-1,2-diamine derivates as inhibitors of aminopeptidase N (APN).EBI Bioorg Med Chem 16: 9984-90 (2008) Shandong University 2D 3D TSV
18996017 9 Convergent synthesis and cruzain inhibitory activity of novel 2-(N'-benzylidenehydrazino)-4-trifluoromethyl-pyrimidines.EBI Bioorg Med Chem 16: 10236-43 (2008) Universidade Federal de Santa Maria 2D 3D TSV
18996009 36 Benzimidazole- and benzoxazole-based inhibitors of Rho kinase.EBI Bioorg Med Chem Lett 18: 6390-3 (2008) The Scripps Research Institute Florida 2D 3D TSV
18996007 30 The discovery of AZD5597, a potent imidazole pyrimidine amide CDK inhibitor suitable for intravenous dosing.EBI Bioorg Med Chem Lett 18: 6369-73 (2008) AstraZeneca Pharmaceuticals 2D 3D TSV
18995931 16 Natural polyprenylated benzophenones inhibiting cysteine and serine proteases.EBI Eur J Med Chem 44: 1230-9 (2009) Federal University of Alfenas 2D 3D TSV
18995929 24 Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity, part 1.EBI Eur J Med Chem 44: 1710-7 (2009) Medical University of Warsaw 2D 3D TSV
18993072 18 Carbonic anhydrase inhibitors. Inhibition of the beta-class enzyme from the yeast Saccharomyces cerevisiae with anions.EBI Bioorg Med Chem Lett 18: 6327-31 (2008) Balikesir University 2D 3D TSV
18993068 75 Identification and optimization of N3,N6-diaryl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamines as a novel class of ACK1 inhibitors.EBI Bioorg Med Chem Lett 18: 6352-6 (2008) Amgen Inc. 2D 3D TSV
18993066 12 Beta-C-glycosiduronic acids and beta-C-glycosyl compounds: new PTP1B inhibitors.EBI Bioorg Med Chem Lett 18: 6348-51 (2008) CNRS 2D 3D TSV
18993064 12 Discovery of diacylphloroglucinols as a new class of GPR40 (FFAR1) agonists.EBI Bioorg Med Chem Lett 18: 6357-61 (2008) Piramal Life Sciences Limited 2D 3D TSV
18990576 11 Synthesis of a novel 6,14-epoxymorphinan derivative and its pharmacology.EBI Bioorg Med Chem Lett 18: 6398-401 (2008) Kitasato University 2D 3D TSV
18990571 65 Carbonic anhydrase inhibitors: 2-substituted-1,3,4-thiadiazole-5-sulfamides act as powerful and selective inhibitors of the mitochondrial isozymes VA and VB over the cytosolic and membrane-associated carbonic anhydrases I, II and IV.EBI Bioorg Med Chem Lett 18: 6332-5 (2008) Ecole Nationale Sup£rieure de Chimie de Montpellier 2D 3D TSV
18990570 72 Chroman-3-amides as potent Rho kinase inhibitors.EBI Bioorg Med Chem Lett 18: 6406-9 (2008) The Scripps Research Institute 2D 3D TSV
18990569 76 Structure-activity relationships of 3-substituted N-benzhydryl-nortropane analogs as nociceptin receptor ligands for the treatment of cough.EBI Bioorg Med Chem Lett 18: 6340-3 (2008) Schering-Plough Research Institute 2D 3D TSV
18990568 15 Synthesis and structure-activity relationship of 7-azaindole piperidine derivatives as CCR2 antagonists.EBI Bioorg Med Chem Lett 18: 6468-70 (2008) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
18990567 6 Rational design of novel glycomimetics: inhibitors of concanavalin A.EBI Bioorg Med Chem Lett 18: 6573-5 (2008) Georgia Southern University 2D 3D TSV
18990469 23 Non-imidazole histamine H3 ligands, part IV: SAR of 1-[2-thiazol-5-yl-(2-aminoethyl)]-4-n-propylpiperazine derivatives.EBI Eur J Med Chem 44: 1674-81 (2009) Medical University 2D 3D TSV
18989952 23 Synthesis and pharmacological characterization of novel druglike corticotropin-releasing factor 1 antagonists.EBI J Med Chem 51: 7370-9 (2009) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
18989912 95 Novel acetylcholine and carbamoylcholine analogues: development of a functionally selective alpha4beta2 nicotinic acetylcholine receptor agonist.EBI J Med Chem 51: 7380-95 (2009) University of Copenhagen 2D 3D TSV
18986805 39 Imidazole pyrimidine amides as potent, orally bioavailable cyclin-dependent kinase inhibitors.EBI Bioorg Med Chem Lett 18: 6486-9 (2008) AstraZeneca Pharmaceuticals 2D 3D TSV
18986201 9 Antityrosinase and Antioxidant Effects of ent-Kaurane Diterpenes from Leaves of Broussonetia papyrifera.EBI J Nat Prod 71: 1930-1933 (2008) Tajen University 2D 3D TSV
18983142 135 Discovery and development of fatty acid amide hydrolase (FAAH) inhibitors.EBI J Med Chem 51: 7327-43 (2009) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
18983141 11 Nicotinic acid receptor agonists.EBI J Med Chem 51: 7653-62 (2008) Arena Pharmaceuticals Inc. 2D 3D TSV
18983140 42 Discovery of Boronic Acids as Novel and Potent Inhibitors of Fatty Acid Amide Hydrolase.BDB J Med Chem 51: 7057-60 (2008) University of Oxford 2D 3D TSV
18983139 12 cis-4-(Piperazin-1-yl)-5,6,7a,8,9,10,11,11a-octahydrobenzofuro[2,3-h]quinazolin-2-amine (A-987306), A New Histamine H4R Antagonist that Blocks Pain Responses against Carrageenan-Induced Hyperalgesia.BDB J Med Chem 51: 7094-8 (2008) Abbott Laboratories 2D 3D TSV
18980843 22 Identification of small molecule agonists of the motilin receptor.EBI Bioorg Med Chem Lett 18: 6423-8 (2008) GlaxoSmithKline 2D 3D TSV
18980842 21 Novel 2-imidazoles as potent, selective and CNS penetrant alpha1A adrenoceptor partial agonists.EBI Bioorg Med Chem Lett 18: 6437-40 (2008) Pfizer Global Research and Development 2D 3D TSV
18980841 72 Pyrazoline-based mycobactin analogues as MAO-inhibitors.EBI Bioorg Med Chem Lett 18: 6362-8 (2008) Institute of Technology 2D 3D TSV
18977662 10 Irreversible inhibition of dihydrodipicolinate synthase by 4-oxo-heptenedioic acid analogues.EBI Bioorg Med Chem 16: 9975-83 (2008) University of Melbourne 2D 3D TSV
18977558 18 Modeling the activity of furin inhibitors using artificial neural network.EBI Eur J Med Chem 44: 1664-73 (2009) Mahidol University 2D 3D TSV
18977148 5 Discovery of new pyridoacridine alkaloids from Lissoclinum cf. badium that inhibit the ubiquitin ligase activity of Hdm2 and stabilize p53.EBI Bioorg Med Chem 16: 10022-8 (2008) National Cancer Institute-Frederick 2D 3D TSV
18977146 2 The importance of CH/pi hydrogen bonds in rational drug design: An ab initio fragment molecular orbital study to leukocyte-specific protein tyrosine (LCK) kinase.EBI Bioorg Med Chem 16: 10311-8 (2008) Kissei Pharmaceutical Company Ltd. 2D 3D TSV
18977140 43 2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 3: Synthesis and activity of isosteric analogs.EBI Bioorg Med Chem Lett 18: 6444-7 (2008) Shionogi & Co., Ltd 2D 3D TSV
18976930 10 Characterization of novel furan compounds on the basis of their radical scavenging activity and cytoprotective effects against glutamate- and lipopolysaccharide-induced insults.EBI Bioorg Med Chem 16: 10332-7 (2008) National Institute of Advanced Industrial Science and Technology (AIST) 2D 3D TSV
18976929 33 Synthesis and biological evaluation of guanylhydrazone coactivator binding inhibitors for the estrogen receptor.EBI Bioorg Med Chem 16: 10075-84 (2008) University of Illinois at Urbana-Champaign 2D 3D TSV
18976928 1 Inhibition of aldose reductase from cataracted eye lenses by finger millet (Eleusine coracana) polyphenols.EBI Bioorg Med Chem 16: 10085-90 (2008) Central Food Technological Research Institute 2D 3D TSV
18976927 83 Synthesis and structure-activity relationships for biphenyl H3 receptor antagonists with moderate anti-cholinesterase activity.EBI Bioorg Med Chem 16: 9911-24 (2008) Universit£ degli Studi di Parma 2D 3D TSV
18976926 5 Synthesis and biological activities of novel nonpeptide angiotensin II receptor antagonists based on benzimidazole derivatives bearing a heterocyclic ring.EBI Bioorg Med Chem 16: 10301-10 (2008) Chinese Academy of Sciences 2D 3D TSV
18976908 18 Modulation of PPAR receptor subtype selectivity of the ligands: aliphatic chain vs aromatic ring as a spacer between pharmacophore and the lipophilic moiety.EBI Bioorg Med Chem Lett 18: 6471-5 (2008) Zydus Research Centre 2D 3D TSV
18976906 20 Synthesis and evaluation of a series of homologues of lobelane at the vesicular monoamine transporter-2.EBI Bioorg Med Chem Lett 18: 6509-12 (2008) University of Kentucky 2D 3D TSV
18976905 35 Quinazolines as potent and highly selective PDE5 inhibitors as potential therapeutics for male erectile dysfunction.EBI Bioorg Med Chem Lett 18: 6279-82 (2008) Chong Kun Dang Research Institute 2D 3D TSV
18976834 169 Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors.EBI Eur J Med Chem 44: 1383-95 (2009) Chulalongkorn University 2D 3D TSV
18975928 54 Synthesis and biological evaluation of a series of liver-selective phosphonic acid thyroid hormone receptor agonists and their prodrugs.EBI J Med Chem 51: 7075-93 (2009) Metabasis Therapeutics, Inc. 2D 3D TSV
18975927 44 Dihydropyrrole[2,3-d]pyridine derivatives as novel corticotropin-releasing factor-1 antagonists: mapping of the receptor binding pocket by in silico docking studies.EBI J Med Chem 51: 7273-86 (2009) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
18974001 72 N-((8-hydroxy-5-substituted-quinolin-7-yl)(phenyl)methyl)-2-phenyloxy/amino-acetamide inhibitors of ADAMTS-5 (Aggrecanase-2).EBI Bioorg Med Chem Lett 18: 6454-7 (2008) Wyeth Research 2D 3D TSV
18973967 39 Topological descriptors in modeling the agonistic activity of human A3 adenosine receptor ligands: the derivatives of 2-chloro-N(6)-substituted-4'-thioadenosine-5'-uronamide.EBI Eur J Med Chem 44: 1377-82 (2009) Sobhasaria Engineering College 2D 3D TSV
18973288 34 Indazole-Based Liver X Receptor (LXR) Modulators with Maintained Atherosclerotic Lesion Reduction Activity but Diminished Stimulation of Hepatic Triglyceride SynthesisBDB J Med Chem 51: 7161-8 (2008) Wyeth Research 2D 3D TSV
18973287 87 Structural Requirements for Eszopiclone and Zolpidem Binding to the gamma-Aminobutyric Acid Type-A (GABAA) Receptor Are Different.BDB J Med Chem 51: 7243-52 (2008) University of Wisconsin at Madison 2D 3D TSV
18972510 6 Identification of pharmacological chaperones for Gaucher disease and characterization of their effects on beta-glucocerebrosidase by hydrogen/deuterium exchange mass spectrometry.BDB Chembiochem 9: 2650-62 (2008) Research Institute, Hospital for Sick Children 2D 3D TSV
18959400 11 Quantitative three dimensional structure linear interaction energy model of 5'-O-[N-(salicyl)sulfamoyl]adenosine and the aryl acid adenylating enzyme MbtA.EBI J Med Chem 51: 7154-60 (2009) University of Minnesota 2D 3D TSV
18956862 2 Fragment-based design of small molecule X-linked inhibitor of apoptosis protein inhibitors.BDB J Med Chem 51: 7111-8 (2008) Burnham Institute for Medical Research 2D 3D TSV
18954985 111 Novel 3,3-disubstituted pyrrolidines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors.EBI Bioorg Med Chem Lett 18: 6062-6 (2008) Roche Palo Alto LLC 2D 3D TSV
18954983 12 Identification of KD5170: a novel mercaptoketone-based histone deacetylase inhibitor.EBI Bioorg Med Chem Lett 18: 6093-6 (2008) Kalypsys, Inc. 2D 3D TSV
18954981 108 Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with improved pharmaceutical characteristics.EBI Bioorg Med Chem Lett 18: 6151-5 (2008) Neurocrine Biosciences, Inc. 2D 3D TSV
18954042 117 Biarylpyrazolyl oxadiazole as potent, selective, orally bioavailable cannabinoid-1 receptor antagonists for the treatment of obesity.EBI J Med Chem 51: 7216-33 (2009) Green Cross Corporation 2D 3D TSV
18954041 28 Structure-Based Design, Synthesis, Evaluation, and Crystallographic Studies of Conformationally Constrained Smac Mimetics as Inhibitors of the X-linked Inhibitor of Apoptosis Protein (XIAP).BDB J Med Chem 51: 7169-80 (2008) University of Michigan 2D 3D TSV
18954040 5 Bis-pyranobenzoquinones as a new family of reversal agents of the multidrug resistance phenotype mediated by P-glycoprotein in mammalian cells and the protozoan parasite Leishmania.EBI J Med Chem 51: 7132-43 (2009) Instituto Universitario de Bio-Orgánica Antonio González 2D 3D TSV
18954039 9 Antithyroid drug carbimazole and its analogues: synthesis and inhibition of peroxidase-catalyzed iodination of L-tyrosine.EBI J Med Chem 51: 7313-7 (2009) Institute of Science 2D 3D TSV
18954038 62 Characterization of thien-2-yl 1S,2R-milnacipran analogues as potent norepinephrine/serotonin transporter inhibitors for the treatment of neuropathic pain.EBI J Med Chem 51: 7265-72 (2009) Neurocrine Biosciences, Inc. 2D 3D TSV
18954037 40 Structure-activity relationships of acetylcholinesterase noncovalent inhibitors based on a polyamine backbone. 4. Further investigation on the inner spacer.EBI J Med Chem 51: 7308-12 (2009) University of Bologna 2D 3D TSV
18952447 16 Design, synthesis, and pharmacological evaluation of N-bicyclo-5-chloro-1H-indole-2-carboxamide derivatives as potent glycogen phosphorylase inhibitors.BDB Bioorg Med Chem 16: 10001-12 (2008) Astellas Pharma Inc. 2D 3D TSV
18952446 3 Substituted hippurates and hippurate analogs as substrates and inhibitors of peptidylglycine alpha-hydroxylating monooxygenase (PHM).EBI Bioorg Med Chem 16: 10061-74 (2008) University of South Florida 2D 3D TSV
18952443 26 Identification of 4-[1-[3-chloro-4-[N'-(5-fluoro-2-methylphenyl)ureido]phenylacetyl]-(4S)-fluoro-(2S)-pyrrolidinylmethoxy]benzoic acid as a potent, orally active VLA-4 antagonist.EBI Bioorg Med Chem 16: 9991-10000 (2008) Daiichi Sankyo Co., Ltd 2D 3D TSV
18952440 49 Search for alpha-helical propensity in the receptor-bound conformation of glucagon-like peptide-1.EBI Bioorg Med Chem 16: 10106-12 (2008) University of Texas at Dallas 2D 3D TSV
18952439 34 Antimalarial activity enhancement in hydroxymethylcarbonyl (HMC) isostere-based dipeptidomimetics targeting malarial aspartic protease plasmepsin.EBI Bioorg Med Chem 16: 10049-60 (2008) Kyoto Pharmaceutical University 2D 3D TSV
18952425 8 Activation and inhibition of leukotriene A4 hydrolase aminopeptidase activity by diphenyl ether and derivatives.EBI Bioorg Med Chem Lett 18: 6549-52 (2008) Peking University 2D 3D TSV
18952422 5 The first X-ray crystal structure of the glucocorticoid receptor bound to a non-steroidal agonist.EBI Bioorg Med Chem Lett 18: 6097-9 (2008) GlaxoSmithKline 2D 3D TSV
18952421 60 Development of novel 2-[4-(aminoalkoxy)phenyl]-4(3H)-quinazolinone derivatives as potent and selective histamine H3 receptor inverse agonists.EBI Bioorg Med Chem Lett 18: 6041-5 (2008) Tsukuba Research Institute 2D 3D TSV
18952417 50 Studies of the metabolic stability in cells of 5-(trifluoroacetyl)thiophene-2-carboxamides and identification of more stable class II histone deacetylase (HDAC) inhibitors.EBI Bioorg Med Chem Lett 18: 6078-82 (2008) IRBM-Merck Research Laboratories Rome 2D 3D TSV
18951803 90 Synthesis, structure-activity relationships and molecular modeling studies of new indole inhibitors of monoamine oxidases A and B.EBI Bioorg Med Chem 16: 9729-40 (2008) Sapienza Università di Roma 2D 3D TSV
18951790 109 SAR profiles of spirocyclic nicotinamide derived selective HDAC1/HDAC2 inhibitors (SHI-1:2).EBI Bioorg Med Chem Lett 18: 6104-9 (2008) Merck Research Laboratories 2D 3D TSV
18951789 1 Possible involvement of radical intermediates in the inhibition of cysteine proteases by allenyl esters and amides.EBI Bioorg Med Chem Lett 18: 6202-5 (2008) University of Toyama 2D 3D TSV
18951788 61 Trifluoromethylpyrimidine-based inhibitors of proline-rich tyrosine kinase 2 (PYK2): structure-activity relationships and strategies for the elimination of reactive metabolite formation.EBI Bioorg Med Chem Lett 18: 6071-7 (2008) Pfizer Global Research and Development 2D 3D TSV
18951784 19 Highly potent and selective chiral inhibitors of PDE5: an illustration of Pfeiffer's rule.EBI Bioorg Med Chem Lett 18: 6033-6 (2008) Pfizer Global Research and Development 2D 3D TSV
18951238 12 Synthesis of some pyrazolyl benzenesulfonamide derivatives as dual anti-inflammatory antimicrobial agents.BDB J Enzyme Inhib Med Chem 24: 296-309 (2009) University of Alexandria 2D 3D TSV
18951020 34 Synthesis and activity of novel 1- or 3-(3-amino-1-phenyl propyl)-1,3-dihydro-2H-benzimidazol-2-ones as selective norepinephrine reuptake inhibitors.EBI Bioorg Med Chem Lett 18: 6067-70 (2008) Wyeth Research 2D 3D TSV
18950150 16 Influence of selective fluorination on the biological activity and proteolytic stability of glucagon-like peptide-1.EBI J Med Chem 51: 7303-7 (2009) Tufts University 2D 3D TSV
18950149 75 Acylguanidines as bioisosteres of guanidines: NG-acylated imidazolylpropylguanidines, a new class of histamine H2 receptor agonists.EBI J Med Chem 51: 7193-204 (2009) University of Regensburg 2D 3D TSV
18948001 179 Quantitative structure-activity relationship of phenoxyphenyl-methanamine compounds with 5HT2A, SERT, and hERG activities.EBI Bioorg Med Chem Lett 18: 6088-92 (2008) Pfizer Global Research and Development 2D 3D TSV
18947999 5 Interaction of ladder-shaped polyethers with transmembrane alpha-helix of glycophorin A as evidenced by saturation transfer difference NMR and surface plasmon resonance.EBI Bioorg Med Chem Lett 18: 6115-8 (2008) Osaka University 2D 3D TSV
18947997 15 Exploring 8-benzyl pteridine-6,7-diones as inhibitors of glutamate racemase (MurI) in gram-positive bacteria.EBI Bioorg Med Chem Lett 18: 6100-3 (2008) AstraZeneca R&D Boston 2D 3D TSV
18947994 102 The discovery of equipotent PPARalpha/gamma dual activators.EBI Bioorg Med Chem Lett 18: 6251-4 (2008) Centre de Recherches 2D 3D TSV
18947992 88 Potent benzimidazolone-based CGRP receptor antagonists.EBI Bioorg Med Chem Lett 18: 6122-5 (2008) Merck & Co. 2D 3D TSV
18947905 51 Virtual screening for Raf-1 kinase inhibitors based on pharmacophore model of substituted ureas.EBI Eur J Med Chem 44: 1240-9 (2009) China Pharmaceutical University 2D 3D TSV
18947224 54 Lead Optimization of 4-Acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A Adenosine Receptor Antagonists for the Treatment of Parkinson's Disease.BDB J Med Chem 51: 7099-7110 (2008) Neurocrine Bioscience 2D 3D TSV
18947221 19 Discovery of potent and selective agonists for the free fatty acid receptor 1 (FFA(1)/GPR40), a potential target for the treatment of type II diabetes.EBI J Med Chem 51: 7061-4 (2009) University of Southern Denmark 2D 3D TSV
18945617 50 Succinyl hydroxamates as potent and selective non-peptidic inhibitors of procollagen C-proteinase: design, synthesis, and evaluation as topically applied, dermal anti-scarring agents.EBI Bioorg Med Chem Lett 18: 6562-7 (2008) Pfizer Global Research and Development 2D 3D TSV
18945616 6 Validation of high-affinity binding sites for succinic acid through distinguishable binding of gamma-hydroxybutyric acid receptor-specific NCS 382 antipodes.EBI Bioorg Med Chem Lett 18: 6290-2 (2008) Hungarian Academy of Sciences 2D 3D TSV
18945615 17 Pyrrolo-pyrimidones: a novel class of MK2 inhibitors with potent cellular activity.BDB Bioorg Med Chem Lett 18: 6142-6 (2008) Novartis 2D 3D TSV
18945614 8 Synthesis of celecoxib analogs that possess a N-hydroxypyrid-2(1H)one 5-lipoxygenase pharmacophore: biological evaluation as dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity.EBI Bioorg Med Chem Lett 18: 6138-41 (2008) University of Alberta 2D 3D TSV
18942827 66 Design and Synthesis of Orally Bioavailable Benzimidazoles as Raf Kinase Inhibitors.BDB J Med Chem 51: 7049-52 (2008) Novartis 2D 3D TSV
18942826 19 Inhibitor Scaffolds for 2-Oxoglutarate-Dependent Histone Lysine Demethylases.BDB J Med Chem 51: 7053-6 (2008) University of Oxford 2D 3D TSV
18942824 2 Cobalt-alkyne complexes with imidazoline ligands as estrogenic carriers: synthesis and pharmacological investigations.EBI J Med Chem 51: 7318-22 (2009) Freie Universitat Berlin 2D 3D TSV
18939864 3 Monodictyochromes A and B, Dimeric Xanthone Derivatives from the Marine Algicolous Fungus Monodictys putredinis.EBI J Nat Prod 71: 1793-1799 (2008) University of Bonn 2D 3D TSV
18938084 78 1,3-Dialkyl-8-(hetero)aryl-9-OH-9-deazaxanthines as potent A2B adenosine receptor antagonists: design, synthesis, structure-affinity and structure-selectivity relationships.EBI Bioorg Med Chem 16: 9780-9 (2008) Università degli Studi di Bari 2D 3D TSV
18938080 102 Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK).EBI Bioorg Med Chem Lett 18: 6231-5 (2008) Vertex Pharmaceuticals, Inc. 2D 3D TSV
18938077 13 Synthesis of 3,6-diazabicyclo[3.1.1]heptanes as novel ligands for neuronal nicotinic acetylcholine receptors.EBI Bioorg Med Chem Lett 18: 6147-50 (2008) Università di Sassari 2D 3D TSV
18937434 7 Design, synthesis, and biological evaluation of novel aminobisphosphonates possessing an in vivo antitumor activity through a gammadelta-T lymphocytes-mediated activation mechanism.EBI J Med Chem 51: 6800-7 (2008) Universita di Ferrara 2D 3D TSV
18930653 28 The design, synthesis and biological evaluation of 7-alkoxy-4-heteroarylamino-3-cyanoquinolines as dual inhibitors of c-Src and iNOS.EBI Bioorg Med Chem Lett 18: 6206-9 (2008) China Pharmaceutical University 2D 3D TSV
18930406 12 Diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of 5-(4-hydroxymethylphenyl)-1-(4-aminosulfonylphenyl)-3-trifluoromethyl-1H-pyrazole and its methanesulfonyl analog: synthesis, biological evaluation and nitric oxide release studies.EBI Bioorg Med Chem 16: 9694-8 (2008) University of Alberta 2D 3D TSV
18930400 60 2-Aminobenzimidazoles as potent ITK antagonists: trans-stilbene-like moieties targeting the kinase specificity pocket.BDB Bioorg Med Chem Lett 18: 6218-21 (2008) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
18930398 117 2-Trifluoroacetylthiophene oxadiazoles as potent and selective class II human histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 18: 6083-7 (2008) IRBM-Merck Research Laboratories Rome 2D 3D TSV
18930396 5 Synthetic chalcones as efficient inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase PtpA.EBI Bioorg Med Chem Lett 18: 6227-30 (2008) Universidade Federal de Santa Catarina 2D 3D TSV
18929485 5 Synthesis of new sulfonate and phosphonate derivatives for cation-independent mannose 6-phosphate receptor targeting.EBI Bioorg Med Chem Lett 18: 6240-3 (2008) Universit£ Montpellier 2 et 1 2D 3D TSV
18929484 26 Imidazo[5,1-f][1,2,4]triazin-2-amines as novel inhibitors of polo-like kinase 1.EBI Bioorg Med Chem Lett 18: 6214-7 (2008) GlaxoSmithKline 2D 3D TSV
18929433 32 Fragment and knowledge-based design of selective GSK-3beta inhibitors using virtual screening models.EBI Eur J Med Chem 44: 2361-71 (2009) Sterling Road 2D 3D TSV
18926710 18 New diterpenoids and the bioactivity of Erythrophleum fordii.EBI Bioorg Med Chem 16: 9867-70 (2008) National Cheng Kung University 2D 3D TSV
18926700 35 Tetrahydro-4-quinolinamines identified as novel P2Y(1) receptor antagonists.EBI Bioorg Med Chem Lett 18: 6222-6 (2008) GlaxoSmithKline 2D 3D TSV
18926699 30 Modifications of the isonipecotic acid fragment of SNS-032: analogs with improved permeability and lower efflux ratio.EBI Bioorg Med Chem Lett 18: 6236-9 (2008) Sunesis Pharmaceuticals 2D 3D TSV
18925736 19 Structure-activity relationship studies of phenanthridine-based Bcl-XL inhibitors.BDB J Med Chem 51: 6699-710 (2008) A*STAR 2D 3D TSV
18922779 15 Identification of a new JNK inhibitor targeting the JNK-JIP interaction site.BDB Proc Natl Acad Sci U S A 105: 16809-13 (2008) Burnham Institute for Medical Research 2D 3D TSV
18922697 5 Synthesis of triazole-linked beta-C-glycosyl dimers as inhibitors of PTP1B.EBI Bioorg Med Chem 16: 9757-63 (2008) CNRS 2D 3D TSV
18922694 84 Synthesis and structure-activity relationship of benzetimide derivatives as human CXCR3 antagonists.EBI Bioorg Med Chem Lett 18: 5819-23 (2009) Johnson& Johnson PRD 2D 3D TSV
18922693 37 2-Aryloxymethylmorpholine histamine H(3) antagonists.EBI Bioorg Med Chem Lett 18: 5796-9 (2009) Johnson& Johnson Pharmaceutical Research& Development L.L.C. 2D 3D TSV
18921992 9 Rational design and synthesis of 4-((1R,2R)-2-hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile (PF-998425), a novel, nonsteroidal androgen receptor antagonist devoid of phototoxicity for dermatological indications.BDB J Med Chem 51: 7010-4 (2008) Pfizer 2D 3D TSV
18855374 55 Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1).BDB J Med Chem 51: 6725-39 (2008) Saarland University 2D 3D TSV
18855373 10 Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5'-phosphosulfate reductase inhibitors.BDB J Med Chem 51: 6627-30 (2008) The Scripps Research Institute 2D 3D TSV
18852280 8 1,5-benzodiazepines, a novel class of hepatitis C virus polymerase nonnucleoside inhibitors.EBI Antimicrob Agents Chemother 52: 4420-31 (2008) Tibotec BVBA 2D 3D TSV
18851976 4 Targeting the X-linked inhibitor of apoptosis protein through 4-substituted azabicyclo[5.3.0]alkane smac mimetics. Structure, activity, and recognition principles.BDB J Mol Biol 384: 673-89 (2008) University of Milano 2D 3D TSV
18851917 6 Modular synthesis of non-peptidic bivalent NPY Y1 receptor antagonists.EBI Bioorg Med Chem 16: 9858-66 (2008) Universität Regensburg 2D 3D TSV
18851914 2 Tetrakis-azaaromatic quaternary ammonium salts: novel subtype-selective antagonists at neuronal nicotinic receptors that mediate nicotine-evoked dopamine release.EBI Bioorg Med Chem Lett 18: 5753-7 (2009) University of Kentucky 2D 3D TSV
18851913 11 Azaflavones compared to flavones as ligands to the benzodiazepine binding site of brain GABA(A) receptors.EBI Bioorg Med Chem Lett 18: 5713-6 (2009) Lund University 2D 3D TSV
18851911 31 Inhibitors of the tyrosine kinase EphB4. Part 2: structure-based discovery and optimisation of 3,5-bis substituted anilinopyrimidines.EBI Bioorg Med Chem Lett 18: 5717-21 (2009) AstraZeneca 2D 3D TSV
18851910 5 Open-chain half-bastadins mimic the effects of cyclic bastadins on calcium homeostasis in cultured neurons.EBI Bioorg Med Chem Lett 18: 5734-7 (2009) Polish Academy of Sciences 2D 3D TSV
18849972 45 Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase.BDB Nat Chem Biol 4: 700-7 (2008) The Scripps Research Institute 2D 3D TSV
18849971 56 Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases.BDB Nat Chem Biol 4: 691-9 (2008) University of California, San Francisco 2D 3D TSV
18849168 48 Discovery and biological profile of 4-(1-aryltriazol-4-yl)-tetrahydropyridines as an orally active new class of metabotropic glutamate receptor 1 antagonist.EBI Bioorg Med Chem 16: 9817-29 (2008) Tsukuba Research Institute 2D 3D TSV
18849166 7 The identification of neurotensin NTS1 receptor partial agonists through a ligand-based virtual screening approach.EBI Bioorg Med Chem Lett 18: 5789-91 (2009) Wyeth Research 2D 3D TSV
18847277 5 Practical synthesis of bredemolic acid, a natural inhibitor of glycogen phosphorylase.EBI J Nat Prod 71: 1877-80 (2011) China Pharmaceutical University 2D 3D TSV
18847250 37 Potential modes of interaction of 9-aminomethyl-9,10-dihydroanthracene (AMDA) derivatives with the 5-HT2A receptor: a ligand structure-affinity relationship, receptor mutagenesis and receptor modeling investigation.EBI J Med Chem 51: 6808-28 (2008) Virginia Commonwealth University 2D 3D TSV
18845436 74 N-Glycine-sulfonamides as potent dual orexin 1/orexin 2 receptor antagonists.EBI Bioorg Med Chem Lett 18: 5729-33 (2009) Actelion Pharmaceuticals Ltd 2D 3D TSV
18845435 11 Interaction of kendomycin and semi-synthetic analogues with the anti-apoptotic protein Bcl-xl.EBI Bioorg Med Chem Lett 18: 5771-3 (2009) MerLion Pharmaceuticals Pte Ltd 2D 3D TSV
18844338 4 Virtual screening to successfully identify novel janus kinase 3 inhibitors: a sequential focused screening approach.BDB J Med Chem 51: 7015-9 (2008) Johnson & Johnson Pharmaceutical 2D 3D TSV
18842591 20 Identification and characterization of small molecule inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase.BDB J Biol Chem 283: 35078-85 (2008) Harvard Medical School 2D 3D TSV
18842420 44 Design, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues.EBI Bioorg Med Chem 16: 9471-86 (2008) Linköping University 2D 3D TSV
18842418 5 Hedgehog/GLI-mediated transcriptional inhibitors from Zizyphus cambodiana.EBI Bioorg Med Chem 16: 9420-4 (2008) Chiba University 2D 3D TSV
18842409 28 A diaminocyclohexyl analog of SNS-032 with improved permeability and bioavailability properties.EBI Bioorg Med Chem Lett 18: 5763-5 (2009) Sunesis Pharmaceuticals 2D 3D TSV
18842405 34 Dual EGFR/ErbB-2 inhibitors from novel pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidines.EBI Bioorg Med Chem Lett 18: 5738-40 (2009) GlaxoSmithKline Research& Development 2D 3D TSV
18842034 25 Potent, selective and orally bioavailable dihydropyrimidine inhibitors of Rho kinase (ROCK1) as potential therapeutic agents for cardiovascular diseases.BDB J Med Chem 51: 6631-4 (2008) GSK 2D 3D TSV
18841882 3 Discovery of an orally bioavailable small molecule inhibitor of prosurvival B-cell lymphoma 2 proteins.EBI J Med Chem 51: 6902-15 (2008) Abbott Laboratories 2D 3D TSV
18841881 37 Design, synthesis, and structure-affinity relationships of novel series of sialosides as CD22-specific inhibitors.EBI J Med Chem 51: 6665-81 (2008) Gifu University 2D 3D TSV
18841880 82 Synthesis and evaluation of structurally constrained quinazolinone derivatives as potent and selective histamine H3 receptor inverse agonists.EBI J Med Chem 51: 6889-901 (2008) Tsukuba Research Institute 2D 3D TSV
18839960 9 DcpS as a therapeutic target for spinal muscular atrophy.BDB ACS Chem Biol 3: 711-22 (2008) deCODE chemistry, Inc. 2D 3D TSV
18835719 42 Synthesis, biological evaluation, and molecular modeling investigation of chiral 2-(4-chloro-phenoxy)-3-phenyl-propanoic acid derivatives with PPARalpha and PPARgamma agonist activity.EBI Bioorg Med Chem 16: 9498-510 (2008) Università degli Studi di Bari 2D 3D TSV
18835710 69 Discovery of novel hydroxamates as highly potent tumor necrosis factor-alpha converting enzyme inhibitors. Part II: optimization of the S3' pocket.EBI Bioorg Med Chem Lett 18: 5809-14 (2009) Schering Plough Research Institute 2D 3D TSV
18835709 91 Synthesis and evaluation of pyrazolo[1,5-b]pyridazines as selective cyclin dependent kinase inhibitors.EBI Bioorg Med Chem Lett 18: 5758-62 (2009) GlaxoSmithKline 2D 3D TSV
18835505 15 Design, synthesis and evaluation of tetrahydropyran based COX-1/-2 inhibitors.EBI Eur J Med Chem 44: 1278-87 (2009) Guru Nanak Dev University 2D 3D TSV
18835176 32 Synthesis, biological evaluation, structural-activity relationship, and docking study for a series of benzoxepin-derived estrogen receptor modulators.EBI Bioorg Med Chem 16: 9554-73 (2008) Trinity College 2D 3D TSV
18835174 17 Preparation of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-ylidene)acetamide derivatives as novel arginine vasopressin V(2) receptor agonists.BDB Bioorg Med Chem 16: 9524-35 (2008) Astellas Pharma Inc. 2D 3D TSV
18835172 19 Synthesis of 6-substituted 1-phenylbenzazepines and their dopamine D(1) receptor activities.EBI Bioorg Med Chem 16: 9425-31 (2008) Chinese Academy of Sciences 2D 3D TSV
18835166 11 Novel and orally active 5-(1,3,4-oxadiazol-2-yl)pyrimidine derivatives as selective FLT3 inhibitors.EBI Bioorg Med Chem Lett 18: 5472-7 (2008) Kyowa Hakko Kogyo Co., Ltd 2D 3D TSV
18835164 8 'Reverse' alpha-ketoamide-based p38 MAP kinase inhibitors.EBI Bioorg Med Chem Lett 18: 5456-9 (2008) Kemia, Inc. 2D 3D TSV
18835163 41 Optimization and structure-activity relationship of a series of 1-phenyl-1,8-naphthyridin-4-one-3-carboxamides: identification of MK-0873, a potent and effective PDE4 inhibitor.EBI Bioorg Med Chem Lett 18: 5554-8 (2008) Merck Frosst Center for Therapeutic Research 2D 3D TSV
18835161 37 2,6-Diaryl-4-acylaminopyrimidines as potent and selective adenosine A(2A) antagonists with improved solubility and metabolic stability.EBI Bioorg Med Chem Lett 18: 5402-5 (2008) Neurocrine Biosciences 2D 3D TSV
18835160 2 The 'Ethereal' nature of TLR4 agonism and antagonism in the AGP class of lipid A mimetics.EBI Bioorg Med Chem Lett 18: 5350-4 (2008) GlaxoSmithKline Biologicals 2D 3D TSV
18835158 9 Identification of novel inhibitors of extracellular signal-regulated kinase 2 based on the structure-based virtual screening.EBI Bioorg Med Chem Lett 18: 5372-6 (2008) Sejong University 2D 3D TSV
18834188 232 Advances toward new antidepressants with dual serotonin transporter and 5-HT1A receptor affinity within a class of 3-aminochroman derivatives. Part 2.EBI J Med Chem 51: 6980-7004 (2008) Wyeth Research 2D 3D TSV
18834187 2 Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds.EBI J Med Chem 51: 6773-81 (2008) University of Florence 2D 3D TSV
18834112 52 Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.EBI J Med Chem 51: 6740-51 (2008) University of Santiago de Compostela 15782 2D 3D TSV
18834111 68 Novel D3 selective dopaminergics incorporating enyne units as nonaromatic catechol bioisosteres: synthesis, bioactivity, and mutagenesis studies.EBI J Med Chem 51: 6829-38 (2008) Friedrich Alexander University 2D 3D TSV
18834110 10 Pharmacophore modeling and molecular docking led to the discovery of inhibitors of human immunodeficiency virus-1 replication targeting the human cellular aspartic acid-glutamic acid-alanine-aspartic acid box polypeptide 3.EBI J Med Chem 51: 6635-8 (2008) Istituto di Genetica Molecolare 2D 3D TSV
18834108 22 Structure-based approach to the development of potent and selective inhibitors of dihydrofolate reductase from cryptosporidium.BDB J Med Chem 51: 6839-52 (2008) University of Connecticut at Storrs 2D 3D TSV
18834107 22 Discovery of substituted 4-(pyrazol-4-yl)-phenylbenzodioxane-2-carboxamides as potent and highly selective Rho kinase (ROCK-II) inhibitors.BDB J Med Chem 51: 6642-5 (2008) The Scripps Research Institute 2D 3D TSV
18834105 27 2-Phenyl-imidazo[1,2-a]pyridine compounds containing hydrophilic groups as potent and selective ligands for peripheral benzodiazepine receptors: synthesis, binding affinity and electrophysiological studies.EBI J Med Chem 51: 6876-88 (2008) Universita degli Studi di Bari 2D 3D TSV
18831589 8 Vinylogous ureas as a novel class of inhibitors of reverse transcriptase-associated ribonuclease H activity.BDB ACS Chem Biol 3: 635-44 (2008) National Cancer Institute 2D 3D TSV
18831576 66 Tetrahydrolipstatin analogues as modulators of endocannabinoid 2-arachidonoylglycerol metabolism.EBI J Med Chem 51: 6970-9 (2008) Sapienza Università di Roma 2D 3D TSV
18829454 12 Potent and selective disruption of protein kinase D functionality by a benzoxoloazepinolone.BDB J Biol Chem 283: 33516-26 (2008) University of Pittsburgh 2D 3D TSV
18829333 28 Design, synthesis, and structure-activity relationship of novel opioid kappa-agonists.EBI Bioorg Med Chem 16: 9188-201 (2008) Toray Industries, Inc. 2D 3D TSV
18829330 1 Axial chirality and affinity at the GABA(A) receptor of pyrimido[1,2-a][1,4]benzodiazepines and related compounds.EBI Bioorg Med Chem 16: 9519-23 (2008) The University of Tokyo 2D 3D TSV
18829312 64 Novel 5-HT(1A/1B/1D) receptors antagonists with potent 5-HT reuptake inhibitory activity.EBI Bioorg Med Chem Lett 18: 5581-5 (2008) GlaxoSmithKline 2D 3D TSV
18829311 74 Synthesis and SAR of analogs of the M1 allosteric agonist TBPB. Part II: Amides, sulfonamides and ureas--the effect of capping the distal basic piperidine nitrogen.EBI Bioorg Med Chem Lett 18: 5443-7 (2008) Vanderbilt University Medical Center 2D 3D TSV
18829308 5 Use of the X-ray structure of the beta2-adrenergic receptor for drug discovery. Part 2: Identification of active compounds.EBI Bioorg Med Chem Lett 18: 5391-5 (2008) Lundbeck Research USA, Inc. 2D 3D TSV
18828583 29 Small molecule modulators of toll-like receptors.EBI J Med Chem 51: 6621-6 (2008) Schering-Plough Research Institute 2D 3D TSV
18826296 12 Bornyl- and isobornyl-Delta8-tetrahydrocannabinols: a novel class of cannabinergic ligands.EBI J Med Chem 51: 6393-9 (2008) Northeastern University 2D 3D TSV
18826295 7 Modeling binding modes of alpha7 nicotinic acetylcholine receptor with ligands: the roles of Gln117 and other residues of the receptor in agonist binding.EBI J Med Chem 51: 6293-302 (2008) University of Kentucky 2D 3D TSV
18826205 61 Design, synthesis, and biological evaluation of novel constrained meta-substituted phenyl propanoic acids as peroxisome proliferator-activated receptor alpha and gamma dual agonists.EBI J Med Chem 51: 6318-33 (2008) Seoul National University 2D 3D TSV
18825535 5 Aromatic esters of progesterone as 5alpha-reductase and prostate growth inhibitors.BDB J Enzyme Inhib Med Chem 24: 655-62 (2009) National University of Mexico City 2D 3D TSV
18825527 22 Acetylcholinesterase/butyrylcholinesterase inhibition activity of some new carbacylamidophosphate derivatives.BDB J Enzyme Inhib Med Chem 24: 566-76 (2009) Tarbiat Modares University 2D 3D TSV
18824352 8 Inhibition of Candida albicans isocitrate lyase activity by sesterterpene sulfates from the tropical sponge Dysidea sp.EBI Bioorg Med Chem Lett 18: 5377-80 (2008) Seoul National University 2D 3D TSV
18824351 30 Preliminary SAR studies on non-apamin-displacing 4-(aminomethylaryl)pyrrazolopyrimidine K(Ca) channel blockers.EBI Bioorg Med Chem Lett 18: 5694-7 (2008) Bristol Myers Squibb Co. 2D 3D TSV
18823784 38 Structure-activity relationship studies of imidazo[1,2-c]pyrimidine derivatives as potent and orally effective Syk family kinases inhibitors.EBI Bioorg Med Chem 16: 9247-60 (2008) Kissei Pharmaceutical Company Ltd 2D 3D TSV
18823779 27 5-Aminomethyl-1H-benzimidazoles as orally active inhibitors of inducible T-cell kinase (Itk).EBI Bioorg Med Chem Lett 18: 5541-4 (2008) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
18821749 8 5-N-methylated quindoline derivatives as telomeric g-quadruplex stabilizing ligands: effects of 5-N positive charge on quadruplex binding affinity and cell proliferation.EBI J Med Chem 51: 6381-92 (2008) Sun Yat-sen University 2D 3D TSV
18821748 24 Synthesis and utilization of chiral alpha-methylated alpha-amino acids with a carboxyalkyl side chain in the design of novel Grb2-SH2 peptide inhibitors free of phosphotyrosine.EBI J Med Chem 51: 6371-80 (2008) Chinese Academy of Sciences 2D 3D TSV
18821747 45 The importance of micelle-bound states for the bioactivities of bifunctional peptide derivatives for delta/mu opioid receptor agonists and neurokinin 1 receptor antagonists.EBI J Med Chem 51: 6334-47 (2008) University of Arizona 2D 3D TSV
18821746 10 Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity screening.EBI J Med Chem 51: 6303-17 (2008) University of Innsbruck 2D 3D TSV
18821258 11 Synthesis and biological evaluation of new donepezil-like Thiaindanones as AChE inhibitors.BDB J Enzyme Inhib Med Chem 23: 696-703 (2008) Centre d'Etudes et de Recherche sur le Médicament de Normandie 2D 3D TSV
18819811 195 Carbonic anhydrase inhibitors: synthesis and inhibition studies against mammalian isoforms I-XV with a series of 2-(hydrazinocarbonyl)-3-substituted-phenyl-1H-indole-5-sulfonamides.BDB Bioorg Med Chem 16: 9113-20 (2008) Istanbul University 2D 3D TSV
18819808 40 In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II.EBI Bioorg Med Chem 16: 9101-5 (2008) Ataturk University 2D 3D TSV
18819799 72 Discovery, SAR and X-ray structure of 1H-benzimidazole-5-carboxylic acid cyclohexyl-methyl-amides as inhibitors of inducible T-cell kinase (Itk).EBI Bioorg Med Chem Lett 18: 5545-9 (2008) Johnson & Johnson 2D 3D TSV
18819797 24 (3R)-3-amino-4-(2,4,5-trifluorophenyl)-N-{4-[6-(2-methoxyethoxy)benzothiazol-2-yl]tetrahydropyran-4-yl}butanamide as a potent dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 18: 5435-8 (2008) Toray Industries Inc. 2D 3D TSV
18819796 3 A novel monoacylglycerol lipase inhibitor with analgesic and anti-inflammatory activity.EBI Bioorg Med Chem Lett 18: 5424-7 (2008) University of Athens 2D 3D TSV
18819794 53 Itk kinase inhibitors: initial efforts to improve the metabolical stability and the cell activity of the benzimidazole lead.EBI Bioorg Med Chem Lett 18: 5537-40 (2008) Johnson & Johnson 2D 3D TSV
18818088 46 Novel potent inhibitors of A. thaliana cytokinin oxidase/dehydrogenase.EBI Bioorg Med Chem 16: 9268-75 (2008) IEB AS CR & Palacký University Olomouc 2D 3D TSV
18818087 46 Synergistic effect of basic residues at positions 14-15 of nociceptin on binding affinity and receptor activation.EBI Bioorg Med Chem 16: 9261-7 (2008) TBA 2D 3D TSV
18818075 25 The identification of pyrazolo[1,5-a]pyridines as potent p38 kinase inhibitors.EBI Bioorg Med Chem Lett 18: 5428-30 (2008) GlaxoSmithKline 2D 3D TSV
18818074 81 Simplified YM-26734 inhibitors of secreted phospholipase A2 group IIA.EBI Bioorg Med Chem Lett 18: 5415-9 (2008) University of Washington 2D 3D TSV
18818072 162 Muscarinic acetylcholine receptor antagonists: SAR and optimization of tyrosine ureas.EBI Bioorg Med Chem Lett 18: 5481-6 (2008) GlaxoSmithKline 2D 3D TSV
18818070 28 Discovery of small molecule agonists for the bombesin receptor subtype 3 (BRS-3) based on an omeprazole lead.EBI Bioorg Med Chem Lett 18: 5451-5 (2008) GlaxoSmithKline 2D 3D TSV
18817368 57 Discovery of 1,4-substituted piperidines as potent and selective inhibitors of T-type calcium channels.EBI J Med Chem 51: 6471-7 (2008) Merck Research Laboratories 2D 3D TSV
18817367 28 Rotationally constrained 2,4-diamino-5,6-disubstituted pyrimidines: a new class of histamine H4 receptor antagonists with improved druglikeness and in vivo efficacy in pain and inflammation models.BDB J Med Chem 51: 6547-57 (2008) Abbott Laboratories 2D 3D TSV
18817366 43 Isosorbide-2-carbamate esters: potent and selective butyrylcholinesterase inhibitors.EBI J Med Chem 51: 6400-9 (2008) Trinity College 2D 3D TSV
18817365 73 Discovery of highly selective and potent p38 inhibitors based on a phthalazine scaffold.EBI J Med Chem 51: 6271-9 (2008) Amgen, Inc. 2D 3D TSV
18817364 41 3-amino-7-phthalazinylbenzoisoxazoles as a novel class of potent, selective, and orally available inhibitors of p38alpha mitogen-activated protein kinase.EBI J Med Chem 51: 6280-92 (2008) Amgen Inc. 2D 3D TSV
18817363 84 Structure-activity relationships in 1,4-benzodioxan-related compounds. 9. From 1,4-benzodioxane to 1,4-dioxane ring as a promising template of novel alpha1D-adrenoreceptor antagonists, 5-HT1A full agonists, and cytotoxic agents.EBI J Med Chem 51: 6359-70 (2008) Universit£ di Camerino 2D 3D TSV
18816139 4 Evidence for the mechanism of action of the antifungal phytolaccoside B isolated from Phytolacca tetramera Hauman.EBI J Nat Prod 71: 1720-5 (2008) Universidad Nacional de Rosario 2D 3D TSV
18816110 27 Soluble 3',6-substituted indirubins with enhanced selectivity toward glycogen synthase kinase -3 alter circadian period.EBI J Med Chem 51: 6421-31 (2008) University of Athens 2D 3D TSV
18816044 17 Thiophene bioisosteres of spirocyclic sigma receptor ligands. 1. N-substituted spiro[piperidine-4,4'-thieno[3,2-c]pyrans].EBI J Med Chem 51: 6531-7 (2008) Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster 2D 3D TSV
18815050 34 4-Anilino-7-alkenylquinoline-3-carbonitriles as potent MEK1 kinase inhibitors.EBI Bioorg Med Chem 16: 9202-11 (2008) Wyeth Research 2D 3D TSV
18815031 41 Imidazoles: SAR and development of a potent class of cyclin-dependent kinase inhibitors.EBI Bioorg Med Chem Lett 18: 5487-92 (2008) AstraZeneca 2D 3D TSV
18815030 13 Pyrazolidine-3,5-dione derivatives as potent non-steroidal agonists of farnesoid X receptor: virtual screening, synthesis, and biological evaluation.EBI Bioorg Med Chem Lett 18: 5497-502 (2008) Graduate School of the Chinese Academy of Sciences 2D 3D TSV
18815029 15 Synthesis of (3,4-dimethoxyphenoxy)alkylamino acetamides as orexin-2 receptor antagonists.EBI Bioorg Med Chem Lett 18: 5420-3 (2008) Pharmacopeia, Inc. 2D 3D TSV
18812261 8 The molecular interactions of buspirone analogues with the serotonin transporter.BDB Bioorg Med Chem 16: 9283-94 (2008) National Medicines Institute 2D 3D TSV
18812259 21 3-(Imidazolyl methyl)-3-aza-bicyclo[3.1.0]hexan-6-yl)methyl ethers: a novel series of mGluR2 positive allosteric modulators.EBI Bioorg Med Chem Lett 18: 5493-6 (2008) Pfizer Global Research and Development 2D 3D TSV
18812256 2 Using proton nuclear magnetic resonance to study the mode of ribonuclease A inhibition by competitive and noncompetitive inhibitors.EBI Bioorg Med Chem Lett 18: 5503-6 (2008) Institute of Technology 2D 3D TSV
18811140 11 Discovery and X-ray crystallographic analysis of a spiropiperidine iminohydantoin inhibitor of beta-secretase.BDB J Med Chem 51: 6259-62 (2008) Merck Research Laboratories 2D 3D TSV
18811139 126 1H-cyclopentapyrimidine-2,4(1H,3H)-dione-related ionotropic glutamate receptors ligands. structure-activity relationships and identification of potent and Selective iGluR5 modulators.EBI J Med Chem 51: 6614-8 (2008) European Research Centre for Drug Discovery and Development (NatSynDrugs) 2D 3D TSV
18811138 41 Structure-activity relationships of truncated D- and l-4'-thioadenosine derivatives as species-independent A3 adenosine receptor antagonists.EBI J Med Chem 51: 6609-13 (2008) Ewha Womans University 2D 3D TSV
18811137 71 Modified peptides as potent inhibitors of the postsynaptic density-95/N-methyl-D-aspartate receptor interaction.EBI J Med Chem 51: 6450-9 (2008) University of Copenhagen 2D 3D TSV
18811136 4 Alpha,beta-methylene-2'-deoxynucleoside 5'-triphosphates as noncleavable substrates for DNA polymerases: isolation, characterization, and stability studies of novel 2'-deoxycyclonucleosides, 3,5'-cyclo-dG, and 2,5'-cyclo-dT.EBI J Med Chem 51: 6460-70 (2008) University of Rhode Island 2D 3D TSV
18811135 6 Identification of a nonbasic, nitrile-containing cathepsin K inhibitor (MK-1256) that is efficacious in a monkey model of osteoporosis.EBI J Med Chem 51: 6410-20 (2008) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
18811134 41 Discovery of bioavailable 4,4-disubstituted piperidines as potent ligands of the chemokine receptor 5 and inhibitors of the human immunodeficiency virus-1.EBI J Med Chem 51: 6538-46 (2008) GlaxoSmithKline 2D 3D TSV
18811133 12 Structure-activity studies on a series of a 2-aminopyrimidine-containing histamine H4 receptor ligands.BDB J Med Chem 51: 6571-80 (2008) Abbott Laboratories 2D 3D TSV
18811132 1 Toward optimization of the linker substructure common to transthyretin amyloidogenesis inhibitors using biochemical and structural studies.EBI J Med Chem 51: 6348-58 (2008) The Scripps Research Institute 2D 3D TSV
18809672 30 Imidazoquinolinone, imidazopyridine, and isoquinolindione derivatives as novel and potent inhibitors of the poly(ADP-ribose) polymerase (PARP): a comparison with standard PARP inhibitors.BDB Mol Pharmacol 74: 1587-98 (2008) University of Konstanz 2D 3D TSV
18809334 21 Structure-activity relationships of 1,4-dihydropyridines that act as enhancers of the vanilloid receptor 1 (TRPV1).EBI Bioorg Med Chem 16: 9349-58 (2008) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
18809333 14 Mycophenolic acid analogs with a modified metabolic profile.EBI Bioorg Med Chem 16: 9340-5 (2008) University of Minnesota 2D 3D TSV
18809332 8 Novel insights into GPCR-peptide interactions: mutations in extracellular loop 1, ligand backbone methylations and molecular modeling of neurotensin receptor 1.EBI Bioorg Med Chem 16: 9359-68 (2008) Friedrich Alexander University 2D 3D TSV
18809328 64 Optimization of a series of potent and selective ketone histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 18: 5528-32 (2008) IRBM/Merck Research Laboratories 2D 3D TSV
18809327 6 Design and synthesis of 6-phenylnicotinamide derivatives as antagonists of TRPV1.EBI Bioorg Med Chem Lett 18: 5609-13 (2008) GlaxoSmithKline 2D 3D TSV
18809326 36 Small, non-peptide C5a receptor antagonists: part 1.EBI Bioorg Med Chem Lett 18: 5601-4 (2008) Pfizer Global Research and Development 2D 3D TSV
18809325 13 Analogues of 2-phenyl-ethenesulfonic acid phenyl ester have dual functions of inhibiting expression of inducible nitric oxide synthase and activating peroxisome proliferator-activated receptor gamma.EBI Bioorg Med Chem Lett 18: 5676-9 (2008) National Health Research Institutes 2D 3D TSV
18808096 124 Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors.EBI J Med Chem 51: 6478-94 (2008) University of Jordan 2D 3D TSV
18806782 2 Cortisone dissociates the Shaker family K+ channels from their beta subunits.EBI Nat Chem Biol 4: 708-14 (2008) Columbia University College of Physicians and Surgeons 2D 3D TSV
18805694 8 Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators.BDB Bioorg Med Chem Lett 18: 5567-70 (2008) The Ohio State University 2D 3D TSV
18805692 99 Synthesis and SAR of analogues of the M1 allosteric agonist TBPB. Part I: Exploration of alternative benzyl and privileged structure moieties.EBI Bioorg Med Chem Lett 18: 5439-42 (2008) Vanderbilt University Medical Center 2D 3D TSV
18805008 133 Design, synthesis and structure-activity relationship of simple bis-amides as potent inhibitors of GlyT1.EBI Bioorg Med Chem Lett 18: 5533-6 (2008) F. Hoffmann-La Roche Ltd. 2D 3D TSV
18805005 8 Discovery of a highly orally bioavailable c-5-[6-(4-Methanesulfonyloxyphenyl)hexyl]-2-methyl-1,3-dioxane-r-2-carboxylic acid as a potent hypoglycemic and hypolipidemic agent.EBI Bioorg Med Chem Lett 18: 5586-90 (2008) Zydus Research Centre 2D 3D TSV
18804369 30 Small, non-peptide C5a receptor antagonists: part 2.EBI Bioorg Med Chem Lett 18: 5605-8 (2008) Pfizer Global Research and Development 2D 3D TSV
18804036 24 Structure-guided development of efficacious antifungal agents targeting Candida glabrata dihydrofolate reductase.BDB Chem Biol 15: 990-6 (2008) University of Connecticut 2D 3D TSV
18804034 9 Identification of chemical inhibitors to human tissue transglutaminase by screening existing drug libraries.BDB Chem Biol 15: 969-78 (2008) Duke University Medical Center 2D 3D TSV
18800848 8 Total synthesis and biological evaluation of the marine bromopyrrole alkaloid dispyrin: elucidation of discrete molecular targets with therapeutic potential.EBI J Nat Prod 71: 1783-6 (2008) Vanderbilt University 2D 3D TSV
18800822 40 4-[3-(4-cyclopropanecarbonylpiperazine-1-carbonyl)-4-fluorobenzyl]-2H-phthalazin-1-one: a novel bioavailable inhibitor of poly(ADP-ribose) polymerase-1.BDB J Med Chem 51: 6581-91 (2008) KuDOS Pharmaceuticals Ltd. 2D 3D TSV
18800772 18 A beta-fluoroamine inhibitor of purine nucleoside phosphorylase.EBI J Med Chem 51: 5880-4 (2008) Industrial Research Limited 2D 3D TSV
18800771 26 Novel opioid peptide derived antagonists containing (2S)-2-methyl-3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid [(2S)-Mdcp].EBI J Med Chem 51: 5866-70 (2008) National University of Singapore 2D 3D TSV
18800769 80 Structural modifications of N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-aryl-1-piperazinehexanamides: influence on lipophilicity and 5-HT7 receptor activity. Part III.EBI J Med Chem 51: 5813-22 (2008) Università degli Studi di Bari 2D 3D TSV
18800768 84 Potent dual thymidylate synthase and dihydrofolate reductase inhibitors: classical and nonclassical 2-amino-4-oxo-5-arylthio-substituted-6-methylthieno[2,3-d]pyrimidine antifolates.EBI J Med Chem 51: 5789-97 (2008) Duquesne University 2D 3D TSV
18800767 45 Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.EBI J Med Chem 51: 5758-65 (2008) GlaxoSmithKline Research and Development 2D 3D TSV
18800763 93 Identification of 4-(2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-{[(3S)-3-piperidinylmethyl]oxy}-1H-imidazo[4,5-c]pyridin-4-yl)-2-methyl-3-butyn-2-ol (GSK690693), a novel inhibitor of AKT kinase.BDB J Med Chem 51: 5663-79 (2008) GlaxoSmithKline 2D 3D TSV
18800762 61 Inhibition of geranylgeranyl diphosphate synthase by bisphosphonates: a crystallographic and computational investigation.BDB J Med Chem 51: 5594-607 (2008) National Taiwan University 2D 3D TSV
18800761 69 Melanocortin tetrapeptide Ac-His-DPhe-Arg-Trp-NH2 modified at the para position of the benzyl side chain (DPhe): importance for mouse melanocortin-3 receptor agonist versus antagonist activity.EBI J Med Chem 51: 5585-93 (2008) University of Florida 2D 3D TSV
18800760 96 Enantiomeric propanolamines as selective N-methyl-D-aspartate 2B receptor antagonists.EBI J Med Chem 51: 5506-21 (2008) Emory University 2D 3D TSV
18800048 4 Chemical probes for histone-modifying enzymes.EBI Nat Chem Biol 4: 590-7 (2008) Johns Hopkins UniversitySchool of Medicine 2D 3D TSV
18799592 17 Novel peroxisome proliferator-activated receptor alpha agonists lower low-density lipoprotein and triglycerides, raise high-density lipoprotein, and synergistically increase cholesterol excretion with a liver X receptor agonist.BDB J Pharmacol Exp Ther 327: 716-26 (2008) Bristol-Myers Squibb Company 2D 3D TSV
18799314 8 Binding is not enough: flexibility is needed for photocrosslinking of Lck kinase by benzophenone photoligands.EBI Bioorg Med Chem 16: 8824-9 (2008) Hunter College of CUNY 2D 3D TSV
18799313 20 Identification of novel protein kinase CK1 delta (CK1delta) inhibitors through structure-based virtual screening.EBI Bioorg Med Chem Lett 18: 5672-5 (2008) Università di Padova 2D 3D TSV
18799312 84 6-[2-(4-Aryl-1-piperazinyl)ethyl]-2H-1,4-benzoxazin-3(4H)-ones: dual-acting 5-HT1 receptor antagonists and serotonin reuptake inhibitors.EBI Bioorg Med Chem Lett 18: 5653-6 (2008) GlaxoSmithKline 2D 3D TSV
18799310 70 Identification and SAR around N-{2-[4-(2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-[1,4]diazepan-1-yl]-ethyl}-2-phenoxy-nicotinamide, a selective alpha2C adrenergic receptor antagonist.EBI Bioorg Med Chem Lett 18: 5689-93 (2008) Pfizer Global Research and Development 2D 3D TSV
18798681 17 Triterpenoids from the leaves of Diospyros kaki (persimmon) and their inhibitory effects on protein tyrosine phosphatase 1B.EBI J Nat Prod 71: 1775-8 (2008) Chosun University 2D 3D TSV
18798608 3 X-ray crystal structure of human heme oxygenase-1 in complex with 1-(adamantan-1-yl)-2-(1H-imidazol-1-yl)ethanone: a common binding mode for imidazole-based heme oxygenase-1 inhibitors.EBI J Med Chem 51: 5943-52 (2008) Queen's University 2D 3D TSV
18798607 27 Discovery of biphenyl piperazines as novel and long acting muscarinic acetylcholine receptor antagonists.EBI J Med Chem 51: 5915-8 (2008) GlaxoSmithKline 2D 3D TSV
18793859 7 Synthesis of 1-arylpiperazyl-2-phenylcyclopropanes designed as antidopaminergic agents: cyclopropane-based conformationally restricted analogs of haloperidol.EBI Bioorg Med Chem 16: 8875-81 (2008) Hokkaido University 2D 3D TSV
18793858 27 Docking study, synthesis, and in vitro evaluation of fluoro-MADAM derivatives as SERT ligands for PET imaging.EBI Bioorg Med Chem 16: 9050-5 (2008) INSERM 2D 3D TSV
18793854 25 Aminostyrylbenzofuran derivatives as potent inhibitors for Abeta fibril formation.EBI Bioorg Med Chem Lett 18: 5591-3 (2008) Institute of Science and Technology 2D 3D TSV
18793852 14 Novel design principle validated: glucopyranosylidene-spiro-oxathiazole as new nanomolar inhibitor of glycogen phosphorylase, potential antidiabetic agent.EBI Bioorg Med Chem Lett 18: 5680-3 (2008) University of Debrecen 2D 3D TSV
18793851 4 Positive allosteric modulators of the metabotropic glutamate receptor subtype 4 (mGluR4): Part I. Discovery of pyrazolo[3,4-d]pyrimidines as novel mGluR4 positive allosteric modulators.EBI Bioorg Med Chem Lett 18: 5626-30 (2008) Vanderbilt University Medical Center 2D 3D TSV
18793848 20 Tricyclic azepine derivatives as selective brain penetrant 5-HT6 receptor antagonists.EBI Bioorg Med Chem Lett 18: 5698-700 (2008) GlaxoSmithKline 2D 3D TSV
18793847 33 Design and synthesis of 2-amino-pyrazolopyridines as Polo-like kinase 1 inhibitors.BDB Bioorg Med Chem Lett 18: 5648-52 (2008) Sunesis Pharmaceuticals 2D 3D TSV
18793846 33 Discovery of pyrimidine benzimidazoles as Lck inhibitors: part I.EBI Bioorg Med Chem Lett 18: 5618-21 (2008) Genomics Institute of the Novartis Research Foundation (GNF) 2D 3D TSV
18790648 317 Specific targeting of metzincin family members with small-molecule inhibitors: progress toward a multifarious challenge.EBI Bioorg Med Chem 16: 8781-94 (2008) University of Athens 2D 3D TSV
18790643 42 A study of the structure-activity relationship of GABA(A)-benzodiazepine receptor bivalent ligands by conformational analysis with low temperature NMR and X-ray analysis.BDB Bioorg Med Chem 16: 8853-62 (2008) University of Wisconsin-Milwaukee 2D 3D TSV
18790640 22 Isoxazolo[3,4-b]quinoline-3,4(1H,9H)-diones as unique, potent and selective inhibitors for Pim-1 and Pim-2 kinases: chemistry, biological activities, and molecular modeling.BDB Bioorg Med Chem Lett 18: 5206-8 (2008) Abbott Laboratories 2D 3D TSV
18790636 22 Design and synthesis of 2-amino-isoxazolopyridines as Polo-like kinase inhibitors.BDB Bioorg Med Chem Lett 18: 5186-9 (2008) Sunesis Pharmaceuticals 2D 3D TSV
18789863 10 Molecular design to enhance the penetration into the retina via ocular instillation.EBI Bioorg Med Chem Lett 18: 5174-7 (2008) Senju Pharmaceutical Co., Ltd 2D 3D TSV
18789861 26 Discovery and optimization of substituted piperidines as potent, selective, CNS-penetrant alpha4beta2 nicotinic acetylcholine receptor potentiators.EBI Bioorg Med Chem Lett 18: 5209-12 (2008) Amgen Inc. 2D 3D TSV
18789705 6 Peptidyl epoxides extended in the P' direction as cysteine protease inhibitors: effect on affinity and mechanism of inhibition.EBI Bioorg Med Chem 16: 9032-9 (2008) Bar Ilan University 2D 3D TSV
18789704 4 Distinctive molecular inhibition mechanisms for selective inhibitors of human 11beta-hydroxysteroid dehydrogenase type 1.EBI Bioorg Med Chem 16: 8922-31 (2008) Amgen Inc. 2D 3D TSV
18789703 14 Novel naphthoquinone and quinolinedione inhibitors of CDC25 phosphatase activity with antiproliferative properties.EBI Bioorg Med Chem 16: 9040-9 (2008) Universit£ Paris Descartes 2D 3D TSV
18789702 30 Anacardic acid derivatives as inhibitors of glyceraldehyde-3-phosphate dehydrogenase from Trypanosoma cruzi.EBI Bioorg Med Chem 16: 8889-95 (2008) Universidade Federal de S£o Carlos 2D 3D TSV
18789701 2 Bisphosphonate inhibitors of ATP-mediated HIV-1 reverse transcriptase catalyzed excision of chain-terminating 3'-azido, 3'-deoxythymidine: a QSAR investigation.EBI Bioorg Med Chem 16: 8959-67 (2008) University of Illinois at Urbana-Champaign 2D 3D TSV
18789685 172 Kinase array design, back to front: biaryl amides.EBI Bioorg Med Chem Lett 18: 5285-9 (2008) GlaxoSmithKline R&D 2D 3D TSV
18788731 42 Design, synthesis, and structure-activity relationships of novel insulin receptor tyrosine kinase activators.EBI J Med Chem 51: 6173-87 (2008) Telik, Inc. 2D 3D TSV
18788725 45 Structural requirements for drug inhibition of the liver specific human organic cation transport protein 1.EBI J Med Chem 51: 5932-42 (2008) Uppsala University 2D 3D TSV
18788723 61 Potent, orally bioavailable delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide (ADL5859).EBI J Med Chem 51: 5893-6 (2008) Adolor Corporation 2D 3D TSV
18786825 30 Tacrine based human cholinesterase inhibitors: synthesis of peptidic-tethered derivatives and their effect on potency and selectivity.EBI Bioorg Med Chem Lett 18: 5213-6 (2008) European Research Centre for Drug Discovery and Development (NatSynDrugs) 2D 3D TSV
18785742 18 A novel class of small molecule inhibitors of Hsp90.BDB ACS Chem Biol 3: 645-54 (2008) Yale University 2D 3D TSV
18785726 30 Design, synthesis, and evaluation of potent and selective ligands for the dopamine 3 (D3) receptor with a novel in vivo behavioral profile.EBI J Med Chem 51: 5905-8 (2008) University of Michigan 2D 3D TSV
18785725 277 Blocking estrogen signaling after the hormone: pyrimidine-core inhibitors of estrogen receptor-coactivator binding.EBI J Med Chem 51: 6512-30 (2008) University of Illinois at Urbana-Champaign 2D 3D TSV
18783955 35 N-Propylnoraporphin-11-O-yl carboxylic esters as potent dopamine D(2) and serotonin 5-HT(1A) receptor dual ligands.EBI Bioorg Med Chem 16: 8335-8 (2008) Chinese Academy of Sciences 2D 3D TSV
18783951 30 Structure-activity relationships of compounds targeting mycobacterium tuberculosis 1-deoxy-D-xylulose 5-phosphate synthase.EBI Bioorg Med Chem Lett 18: 5320-3 (2008) University of Illinois at Chicago 2D 3D TSV
18783949 22 Optimization of small molecule agonists of the thrombopoietin (Tpo) receptor derived from a benzo[a]carbazole hit scaffold.EBI Bioorg Med Chem Lett 18: 5259-62 (2008) Genomics Institute of the Novartis Research Foundation (GNF) 2D 3D TSV
18783948 31 Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors.EBI Bioorg Med Chem Lett 18: 5245-8 (2008) Biogen Idec Inc. 2D 3D TSV
18783943 35 Overcoming hERG issues for brain-penetrating cathepsin S inhibitors: 2-cyanopyrimidines. Part 2.EBI Bioorg Med Chem Lett 18: 5280-4 (2008) Novartis Institutes for BioMedical Research 2D 3D TSV
18783211 14 Synthesis of bivalent beta2-adrenergic and adenosine A1 receptor ligands.BDB J Med Chem 51: 6128-37 (2008) Monash University 2D 3D TSV
18783208 11 Synthesis and evaluation of [N-methyl-11C]N-desmethyl-loperamide as a new and improved PET radiotracer for imaging P-gp function.EBI J Med Chem 51: 6034-43 (2008) National Institute of Mental Health 2D 3D TSV
18783204 49 Synthesis, binding affinity, and molecular docking analysis of new benzofuranone derivatives as potential antipsychotics.EBI J Med Chem 51: 6085-94 (2008) Universidad de Santiago de Compostela 2D 3D TSV
18783203 15 Flexible cyclic ethers/polyethers as novel P2-ligands for HIV-1 protease inhibitors: design, synthesis, biological evaluation, and protein-ligand X-ray studies.BDB J Med Chem 51: 6021-33 (2008) Purdue University 2D 3D TSV
18783202 16 Identification of BRAF inhibitors through in silico screening.BDB J Med Chem 51: 6121-7 (2008) University of Pennsylvania 2D 3D TSV
18783201 27 Dipeptide boronic acid inhibitors of dipeptidyl peptidase IV: determinants of potency and in vivo efficacy and safety.EBI J Med Chem 51: 6005-13 (2008) Tufts University 2D 3D TSV
18783200 18 Identification, characterization and initial hit-to-lead optimization of a series of 4-arylamino-3-pyridinecarbonitrile as protein kinase C theta (PKCtheta) inhibitors.BDB J Med Chem 51: 5958-63 (2008) Wyeth Research 2D 3D TSV
18782670 39 CYP19 (aromatase): exploring the scaffold flexibility for novel selective inhibitors.EBI Bioorg Med Chem 16: 8349-58 (2008) Università di Salerno 2D 3D TSV
18782669 90 Introduction of the 4-(4-bromophenyl)benzenesulfonyl group to hydrazide analogs of Ilomastat leads to potent gelatinase B (MMP-9) inhibitors with improved selectivity.EBI Bioorg Med Chem 16: 8745-59 (2008) Université de Reims-Champagne-Ardenne 2D 3D TSV
18782667 5 Molecular design of potent tyrosinase inhibitors having the bibenzyl skeleton.EBI Bioorg Med Chem Lett 18: 5252-4 (2008) Utsunomiya University 2D 3D TSV
18782666 34 Designing rapid onset selective serotonin re-uptake inhibitors. Part 3: Site-directed metabolism as a strategy to avoid active circulating metabolites: structure-activity relationships of (thioalkyl)phenoxy benzylamines.EBI Bioorg Med Chem Lett 18: 5303-6 (2008) Pfizer Global Research and Development 2D 3D TSV
18781777 21 Synthesis and characterization of new piperazine-type inhibitors for mitochondrial NADH-ubiquinone oxidoreductase (complex I).BDB Biochemistry 47: 10816-26 (2008) Kyoto University 2D 3D TSV
18778944 8 Screening of herbal constituents for aromatase inhibitory activity.EBI Bioorg Med Chem 16: 8466-70 (2008) King's College London 2D 3D TSV
18778943 53 Synthesis of 3-phenylnaphthalenic derivatives as new selective MT(2) melatoninergic ligands.EBI Bioorg Med Chem 16: 8339-48 (2008) University of Lille 2 2D 3D TSV
18778939 23 Triazole oxytocin antagonists: identification of aryl ether replacements for a biaryl substituent.EBI Bioorg Med Chem Lett 18: 5242-4 (2008) Pfizer Global Research and Development 2D 3D TSV
18778938 20 Design and synthesis of a series of meta aniline-based LFA-1 ICAM inhibitors.EBI Bioorg Med Chem Lett 18: 5249-51 (2008) Biogen Idec Inc. 2D 3D TSV
18778937 15 Immucillins in custom catalytic-site cavities.EBI Bioorg Med Chem Lett 18: 5900-3 (2008) Albert Einstein College of Medicine of Yeshiva University 2D 3D TSV
18778936 37 Discovery and biological evaluation of benzo[a]carbazole-based small molecule agonists of the thrombopoietin (Tpo) receptor.EBI Bioorg Med Chem Lett 18: 5255-8 (2008) Genomics Institute of the Novartis Research Foundation (GNF) 2D 3D TSV
18778098 12 Potent inhibition of human phosphodiesterase-5 by icariin derivatives.EBI J Nat Prod 71: 1513-7 (2008) University of Milan 2D 3D TSV
18778048 11 Discovery of novel nitrobenzothiazole inhibitors for Mycobacterium tuberculosis ATP phosphoribosyl transferase (HisG) through virtual screening.BDB J Med Chem 51: 5984-92 (2008) Yale University 2D 3D TSV
18774793 85 Structure-activity relationships for a novel series of dopamine D2-like receptor ligands based on N-substituted 3-aryl-8-azabicyclo[3.2.1]octan-3-ol.EBI J Med Chem 51: 6095-109 (2008) National Institute on Drug Abuses 2D 3D TSV
18774720 14 Piperidine variations in search for non-imidazole histamine H(3) receptor ligands.EBI Bioorg Med Chem 16: 8729-36 (2008) Jagiellonian University Medical College 2D 3D TSV
18774714 5 Methoxy-substituted 9-aminomethyl-9,10-dihydroanthracene (AMDA) derivatives exhibit differential binding affinities at the 5-HT(2A) receptor.EBI Bioorg Med Chem Lett 18: 5268-71 (2008) Virginia Commonwealth University 2D 3D TSV
18774713 66 Optimization of a series of multi-isoform PI3 kinase inhibitors.EBI Bioorg Med Chem Lett 18: 5299-302 (2008) UCB 2D 3D TSV
18774709 34 Synthesis and in vitro evaluation of imidazopyridazines as novel inhibitors of the malarial kinase PfPK7.EBI Bioorg Med Chem Lett 18: 5294-8 (2008) MRC Technology 2D 3D TSV
18774292 72 Dual DAT/sigma1 receptor ligands based on 3-(4-(3-(bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-1-phenylpropan-1-ol.EBI Bioorg Med Chem Lett 18: 5238-41 (2008) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
18774291 26 Initial SAR studies on apamin-displacing 2-aminothiazole blockers of calcium-activated small conductance potassium channels.EBI Bioorg Med Chem Lett 18: 5316-9 (2008) Bristol Myers Squibb Co. 2D 3D TSV
18771917 68 Design, synthesis, and evaluation of novel aryl-tetrahydropyridine PPARalpha/gamma dual agonists.EBI Bioorg Med Chem Lett 18: 4993-6 (2008) Yuhan Research Institute 2D 3D TSV
18771916 37 Synthesis and activity of 1-(3-amino-1-phenylpropyl)indolin-2-ones: a new class of selective norepinephrine reuptake inhibitors.EBI Bioorg Med Chem Lett 18: 4929-31 (2008) Wyeth Research 2D 3D TSV
18771255 16 2-aminothienopyridazines as novel adenosine A1 receptor allosteric modulators and antagonists.EBI J Med Chem 51: 6165-72 (2008) Monash University 2D 3D TSV
18771254 153 Discovery of orally bioavailable 1,3,4-trisubstituted 2-oxopiperazine-based melanocortin-4 receptor agonists as potential antiobesity agents.EBI J Med Chem 51: 6055-66 (2008) Procter & Gamble Pharmaceuticals 2D 3D TSV
18771253 4 Multiple and single binding modes of fragment-like kinase inhibitors revealed by molecular modeling, residue type-selective protonation, and nuclear overhauser effects.EBI J Med Chem 51: 6225-9 (2008) Princ 2D 3D TSV
18771252 56 N9-substituted 2,4-diaminoquinazolines: synthesis and biological evaluation of lipophilic inhibitors of pneumocystis carinii and toxoplasma gondii dihydrofolate reductase.EBI J Med Chem 51: 6195-200 (2008) Duquesne University 2D 3D TSV
18768319 53 N-alkyl-5H-pyrido[4,3-b]indol-1-amines and derivatives as novel urotensin-II receptor antagonists.EBI Bioorg Med Chem Lett 18: 4936-9 (2008) GlaxoSmithKline 2D 3D TSV
18768318 37 Synthesis and evaluation of a spiro-isobenzofuranone class of histamine H3 receptor inverse agonists.EBI Bioorg Med Chem Lett 18: 5101-6 (2008) Tsukuba Research Institute 2D 3D TSV
18768317 2 Discovery of the catechol structural moiety as a Stat3 SH2 domain inhibitor by virtual screening.EBI Bioorg Med Chem Lett 18: 4988-92 (2008) Wyeth Pharmaceuticals 2D 3D TSV
18763757 31 Targeting the ribose and phosphate binding site of p38 mitogen-activated protein (MAP) kinase: synthesis and biological testing of 2-alkylsulfanyl-, 4(5)-aryl-, 5(4)-heteroaryl-substituted imidazoles.EBI J Med Chem 51: 5630-40 (2008) Eberhard-Karls University of Tübingen 2D 3D TSV
18763755 20 Discovery and evaluation of 4-(2-(4-chloro-1H-pyrazol-1-yl)ethylamino)-3-(6-(1-(3-fluoropropyl)piperidin-4-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one (BMS-695735), an orally efficacious inhibitor of insulin-like growth factor-1 receptor kinase with broad spectrum in vivo antitumor actiBDB J Med Chem 51: 5897-900 (2008) Bristol-Myers Squibb Company 2D 3D TSV
18763754 57 Novel aldosterone synthase inhibitors with extended carbocyclic skeleton by a combined ligand-based and structure-based drug design approach.EBI J Med Chem 51: 6138-49 (2008) Saarland University 2D 3D TSV
18763753 29 Design, synthesis, and biological evaluation of potent c-Met inhibitors.BDB J Med Chem 51: 5766-79 (2008) Amgen 2D 3D TSV
18763751 25 Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection.BDB J Med Chem 51: 5843-55 (2008) Merck Research Laboratories 2D 3D TSV
18762425 42 Pharmacophore modeling and virtual screening for designing potential PLK1 inhibitors.EBI Bioorg Med Chem Lett 18: 4972-7 (2008) Sichuan University 2D 3D TSV
18762424 4 New iodoreboxetine analogues for SPECT imaging of the noradrenaline transporter.EBI Bioorg Med Chem Lett 18: 4940-3 (2008) University of Glasgow 2D 3D TSV
18760923 37 Synthesis and biological affinity of new imidazo- and indol-arylpiperazine derivatives: further validation of a pharmacophore model for alpha(1)-adrenoceptor antagonists.EBI Bioorg Med Chem Lett 18: 5140-5 (2008) Universit£ degli Studi di Perugia 2D 3D TSV
18760922 3 Synthesis of a 200-member library of squaric acid N-hydroxylamide amides.EBI Bioorg Med Chem Lett 18: 4968-71 (2008) INSERM 2D 3D TSV
18760862 8 Identification of hydrolytically stable and selective P2Y(1) receptor agonists.EBI Eur J Med Chem 44: 1525-36 (2009) Bar-Ilan University 2D 3D TSV
18760609 66 Achiral oligoamines as versatile tool for the development of aspartic protease inhibitors.BDB Bioorg Med Chem 16: 8574-86 (2008) Philipps-University Marburg 2D 3D TSV
18760603 2 Promising core structure for nuclear receptor ligands: design and synthesis of novel estrogen receptor ligands based on diphenylamine skeleton.EBI Bioorg Med Chem Lett 18: 5050-3 (2008) Tohoku Pharmaceutical University 2D 3D TSV
18760602 56 Evaluation of a focused library of N-aryl L-homoserine lactones reveals a new set of potent quorum sensing modulators.EBI Bioorg Med Chem Lett 18: 5978-81 (2008) University of Wisconsin-Madison 2D 3D TSV
18760600 14 Molecular modeling aided design of nicotinic acid receptor GPR109A agonists.EBI Bioorg Med Chem Lett 18: 4963-7 (2008) Merck Research Laboratories 2D 3D TSV
18759424 12 Adamantyl-substituted retinoid-derived molecules that interact with the orphan nuclear receptor small heterodimer partner: effects of replacing the 1-adamantyl or hydroxyl group on inhibition of cancer cell growth, induction of cancer cell apoptosis, and inhibition of SRC homology 2 domain-containiBDB J Med Chem 51: 5650-62 (2008) Burnham Institute for Medical Research 2D 3D TSV
18755589 2 Synthesis of N-isobutylnoroxymorphone from naltrexone by a selective cyclopropane ring opening reaction.EBI Bioorg Med Chem Lett 18: 4978-81 (2008) Kitasato University 2D 3D TSV
18755588 13 Structure-guided design of substituted aza-benzimidazoles as potent hypoxia inducible factor-1alpha prolyl hydroxylase-2 inhibitors.EBI Bioorg Med Chem Lett 18: 5023-6 (2008) Amgen, Inc. 2D 3D TSV
18755587 46 Discovery of thieno[2,3-c]pyridines as potent COT inhibitors.EBI Bioorg Med Chem Lett 18: 4952-5 (2008) Abbott Bioresearch Center 2D 3D TSV
18755586 32 Design and synthesis of fluorescent SGLT2 inhibitors.EBI Bioorg Med Chem Lett 18: 4944-7 (2008) Pfizer Global Research and Development 2D 3D TSV
18754655 33 Discovery of orally bioavailable cathepsin S inhibitors for the reversal of neuropathic pain.BDB J Med Chem 51: 5502-5 (2008) Novartis 2D 3D TSV
18754654 19 The identification of 2-(1H-indazol-4-yl)-6-(4-methanesulfonyl-piperazin-1-ylmethyl)-4-morpholin-4-yl-thieno[3,2-d]pyrimidine (GDC-0941) as a potent, selective, orally bioavailable inhibitor of class I PI3 kinase for the treatment of cancer .BDB J Med Chem 51: 5522-32 (2008) Piramed Pharma 2D 3D TSV
18754614 22 Lipid-lowering (hetero)aromatic tetrahydro-1,4-oxazine derivatives with antioxidant and squalene synthase inhibitory activity.EBI J Med Chem 51: 5861-5 (2008) University of Athens 2D 3D TSV
18754613 23 Discovery and labeling of high-affinity 3,4-diarylpyrazolines as candidate radioligands for in vivo imaging of cannabinoid subtype-1 (CB1) receptors.EBI J Med Chem 51: 5608-16 (2008) National Institute of Mental Health 2D 3D TSV
18754612 12 Molecular engineering of conotoxins: the importance of loop size to alpha-conotoxin structure and function.EBI J Med Chem 51: 5575-84 (2008) University of Queensland 2D 3D TSV
18754611 86 Aminoacyl-anthraquinone conjugates as telomerase inhibitors: synthesis, biophysical and biological evaluation.EBI J Med Chem 51: 5566-74 (2008) University of Padova 2D 3D TSV
18754610 2 6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX) forms an irreversible bond to the active site of the GluR2 AMPA receptor.EBI J Med Chem 51: 5856-60 (2008) University of California San Francisco 2D 3D TSV
18752961 51 Selective A(3) adenosine receptor antagonists derived from nucleosides containing a bicyclo[3.1.0]hexane ring system.EBI Bioorg Med Chem 16: 8546-56 (2008) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
18752960 48 Design and synthesis of 6-fluoro-2-naphthyl derivatives as novel CCR3 antagonists with reduced CYP2D6 inhibition.EBI Bioorg Med Chem 16: 8607-18 (2008) Astellas Pharma. Inc. 2D 3D TSV
18752957 44 Synthesis, in vitro, and in vivo biological evaluation and molecular docking simulations of chiral alcohol and ether derivatives of the 1,5-diarylpyrrole scaffold as novel anti-inflammatory and analgesic agents.EBI Bioorg Med Chem 16: 8072-81 (2008) Università La Sapienza 2D 3D TSV
18752953 111 Discovery of benzoylpiperazines as a novel class of potent and selective GlyT1 inhibitors.EBI Bioorg Med Chem Lett 18: 5134-9 (2008) F. Hoffmann-La Roche Ltd 2D 3D TSV
18752952 31 Benzimidazole-substituted (3-phenoxypropyl)amines as histamine H3 receptor ligands.EBI Bioorg Med Chem Lett 18: 5032-6 (2008) The Schering Plough Research Institute 2D 3D TSV
18752950 6 Trace amine-associated receptor 1 (TAAR1) is activated by amiodarone metabolites.EBI Bioorg Med Chem Lett 18: 5920-2 (2008) University of California at San Francisco 2D 3D TSV
18752949 60 1-Benzylbenzimidazoles: the discovery of a novel series of bradykinin B(1) receptor antagonists.EBI Bioorg Med Chem Lett 18: 5027-31 (2008) Neurogen Corporation 2D 3D TSV
18752948 34 Monoacylglycerol lipase regulates 2-arachidonoylglycerol action and arachidonic acid levels.EBI Bioorg Med Chem Lett 18: 5875-8 (2008) University of California 2D 3D TSV
18752947 7 New PPARgamma ligands based on barbituric acid: virtual screening, synthesis and receptor binding studies.EBI Bioorg Med Chem Lett 18: 4959-62 (2008) National Institute of Pharmaceutical Education and Research 2D 3D TSV
18752946 47 Discovery of novel series of benzoic acid derivatives containing biphenyl ether moiety as potent and selective human beta(3)-adrenergic receptor agonists: Part IV.EBI Bioorg Med Chem Lett 18: 5037-40 (2008) Astellas Pharma Inc. 2D 3D TSV
18752944 2 Targeted intracellular protein degradation induced by a small molecule: En route to chemical proteomics.EBI Bioorg Med Chem Lett 18: 5904-8 (2008) Yale University 2D 3D TSV
18752943 36 Syntheses and structure-activity relationships of novel, potent, and selective trans-2-[3-oxospiro[isobenzofuran-1(3H),1'-cyclohexan]-4'-yl]benzimidazole NPY Y5 receptor antagonists.EBI Bioorg Med Chem Lett 18: 4997-5001 (2008) Banyu Tsukuba Research Institute 2D 3D TSV
18752942 25 Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.EBI Bioorg Med Chem Lett 18: 5895-9 (2008) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
18752940 22 Discovery of pyrazolopyrimidines as the first class of allosteric agonists for the high affinity nicotinic acid receptor GPR109A.EBI Bioorg Med Chem Lett 18: 4948-51 (2008) Merck Research Laboratories 2D 3D TSV
18729445 70 3,4-Dihydro-2H-1,4-benzoxazine derivatives combining thrombin inhibitory and glycoprotein IIb/IIIa receptor antagonistic activity as a novel class of antithrombotic compounds with dual function.EBI J Med Chem 51: 5617-29 (2008) University of Ljubljana 2D 3D TSV
18729351 21 Potent cationic inhibitors of West Nile virus NS2B/NS3 protease with serum stability, cell permeability and antiviral activity.BDB J Med Chem 51: 5714-21 (2008) University of Queensland 2D 3D TSV
18729350 65 Anxiolytic-like effects of N,N-dialkyl-2-phenylindol-3-ylglyoxylamides by modulation of translocator protein promoting neurosteroid biosynthesis.EBI J Med Chem 51: 5798-806 (2008) Universit£ di Pisa 2D 3D TSV
18729349 28 Synthesis and biological evaluation of 2-amino-3-(4-chlorobenzoyl)-4-[N-(substituted) piperazin-1-yl]thiophenes as potent allosteric enhancers of the A1 adenosine receptor.EBI J Med Chem 51: 5875-9 (2008) Dipartimento di Scienze Farmaceutiche 2D 3D TSV
18728994 12 Butyrylcholinesterase inhibitory activity of testosterone and some of its metabolites.BDB J Enzyme Inhib Med Chem 24: 553-8 (2009) University of Jordan 2D 3D TSV
18728003 3 Mutations M184V and Y115F in HIV-1 reverse transcriptase discriminate against "nucleotide-competing reverse transcriptase inhibitors".BDB J Biol Chem 283: 29904-11 (2008) McGill University 2D 3D TSV
18723356 18 Synthesis and pharmacological evaluation of bis-3-(3,4-dichlorophenyl)acrylamide derivatives as glycogen phosphorylase inhibitors.EBI Bioorg Med Chem 16: 8627-34 (2008) Astellas Pharma Inc. 2D 3D TSV
18723354 12 Dual inhibition of monoamine oxidase B and antagonism of the adenosine A(2A) receptor by (E,E)-8-(4-phenylbutadien-1-yl)caffeine analogues.EBI Bioorg Med Chem 16: 8676-84 (2008) North-West University 2D 3D TSV
18723350 37 Development of novel tail-modified anandamide analogs.EBI Bioorg Med Chem Lett 18: 5912-5 (2008) Northeastern University 2D 3D TSV
18723347 59 Design, syntheses, and structure-activity relationships of novel NPY Y5 receptor antagonists: 2-{3-Oxospiro[isobenzofuran-1(3H),4'-piperidin]-1'-yl}benzimidazole derivatives.EBI Bioorg Med Chem Lett 18: 5010-4 (2008) Banyu Tsukuba Research Institute 2D 3D TSV
18723346 26 Discovery of amido-benzisoxazoles as potent c-Kit inhibitors.EBI Bioorg Med Chem Lett 18: 5115-7 (2008) Amgen Inc. 2D 3D TSV
18722778 32 Tetrahydropyridine-4-carboxamides as novel, potent transient receptor potential vanilloid 1 (TRPV1) antagonists.EBI Bioorg Med Chem 16: 8516-25 (2008) Abbott Laboratories 2D 3D TSV
18722777 37 Derivatives of 1,4-bis(3-hydroxycarbonyl-4-hydroxyl)styrylbenzene as PTP1B inhibitors with hypoglycemic activity.EBI Bioorg Med Chem 16: 8643-52 (2008) Inha University 2D 3D TSV
18722776 15 Novel azolyl-(phenylmethyl)]aryl/heteroarylamines: potent CYP26 inhibitors and enhancers of all-trans retinoic acid activity in neuroblastoma cells.EBI Bioorg Med Chem 16: 8301-13 (2008) Cardiff University 2D 3D TSV
18722772 105 Discovery of a novel class of PPARdelta partial agonists.BDB Bioorg Med Chem Lett 18: 5018-22 (2008) GSK 2D 3D TSV
18722771 14 ortho-dihydroxyisoflavone derivatives from aged Doenjang (Korean fermented soypaste) and its radical scavenging activity.EBI Bioorg Med Chem Lett 18: 5006-9 (2008) AmorePacific Corporation 2D 3D TSV
18722770 60 Discovery and optimization of (R)-prolinol-derived agonists of the Growth Hormone Secretagogue receptor (GHSR).EBI Bioorg Med Chem Lett 18: 5083-6 (2008) Bristol Myers Squibb Co. 2D 3D TSV
18722768 10 Hexahydro-pyrrolo- and hexahydro-1H-pyrido[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.BDB Bioorg Med Chem Lett 18: 5002-5 (2008) Anadys Pharmaceuticals 2D 3D TSV
18722130 6 Synthesis and biological properties of 2-methylene-19-nor-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactones--weak agonists.EBI Bioorg Med Chem 16: 8563-73 (2008) University of Wisconsin-Madison 2D 3D TSV
18722120 42 Synthesis and evaluation of cis-3,4-disubstituted piperidines as potent CC chemokine receptor 2 (CCR2) antagonists.EBI Bioorg Med Chem Lett 18: 5063-5 (2008) Bristol-Myers Squibb Company 2D 3D TSV
18722119 55 1,5-Dihydro-benzo[e][1,4]oxazepin-2(1H)-ones containing a 7-(5'-cyanopyrrol-2-yl) group as nonsteroidal progesterone receptor modulators.EBI Bioorg Med Chem Lett 18: 5015-7 (2008) Wyeth Research 2D 3D TSV
18722118 22 Substituted aryl pyrimidines as potent and soluble TRPV1 antagonists.EBI Bioorg Med Chem Lett 18: 5118-22 (2008) Amgen Inc. 2D 3D TSV
18722117 24 Synthesis of 3-alkyl naphthalenes as novel estrogen receptor ligands.EBI Bioorg Med Chem Lett 18: 5075-7 (2008) GlaxoSmithKline Research 2D 3D TSV
18722115 11 Bradykinin B1 receptor antagonists: an alpha-hydroxy amide with an improved metabolism profile.EBI Bioorg Med Chem Lett 18: 5107-10 (2008) Merck 2D 3D TSV
18722033 114 Docking, 3D-QSAR studies and in silico ADME prediction on c-Src tyrosine kinase inhibitors.EBI Eur J Med Chem 44: 990-1000 (2009) Universit£ degli Studi di Siena 2D 3D TSV
18720984 14 Discovery of potent and selective small-molecule PAR-2 agonists.EBI J Med Chem 51: 5490-3 (2008) ACADIA Pharmaceuticals AB 2D 3D TSV
18718763 50 Synthesis of new sulfonyl pyrrolidine derivatives as matrix metalloproteinase inhibitors.EBI Bioorg Med Chem 16: 7932-8 (2008) Shandong University 2D 3D TSV
18718756 44 7-[1H-Indol-2-yl]-2,3-dihydro-isoindol-1-ones as dual Aurora-A/VEGF-R2 kinase inhibitors: design, synthesis, and biological activity.EBI Bioorg Med Chem Lett 18: 5130-3 (2008) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
18717581 22 Design, synthesis, and evaluation of novel organophosphorus inhibitors of bacterial ureases.BDB J Med Chem 51: 5736-44 (2008) Wroclaw University of Technology 2D 3D TSV
18715787 5 Synthesis and biological activity of 1-methyl-tryptophan-tirapazamine hybrids as hypoxia-targeting indoleamine 2,3-dioxygenase inhibitors.EBI Bioorg Med Chem 16: 8661-9 (2008) The University of Tokushima 2D 3D TSV
18714982 44 Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-lineage kinase 1 crystallography, and oral in vivo activity in 1-methyl-4-phenyltetrahydropyridine models.BDB J Med Chem 51: 5680-9 (2008) Cephalon 2D 3D TSV
18714978 18 Discovery of novel Cdc25 phosphatase inhibitors with micromolar activity based on the structure-based virtual screening.EBI J Med Chem 51: 5533-41 (2008) Sejong University 2D 3D TSV
18713665 23 Identification of ring-fused pyrazolo pyridin-2-ones as novel poly(ADP-ribose)polymerase-1 inhibitors.BDB Bioorg Med Chem Lett 18: 5126-9 (2008) Deltagen Research Laboratories 2D 3D TSV
18712856 129 Bioisosteric replacement of the pyrazole 5-aryl moiety of N-(piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716A). A novel series of alkynylthiophenes as potent and selective cannabinoid-1 receptor antagonists.EBI J Med Chem 51: 5397-412 (2008) National Health Research Institutes 2D 3D TSV
18710210 29 Synthesis of novel beta-lactone inhibitors of fatty acid synthase.BDB J Med Chem 51: 5285-96 (2008) The Burnham Institute for Medical Research 2D 3D TSV
18710209 14 Novel and potent inhibitors of 5-lipoxygenase product synthesis based on the structure of pirinixic acid.BDB J Med Chem 51: 5449-53 (2008) Eberhard-Karls-University Tuebingen 2D 3D TSV
18710208 5 Crystal structures of rat vitamin D receptor bound to adamantyl vitamin D analogs: structural basis for vitamin D receptor antagonism and partial agonism.EBI J Med Chem 51: 5320-9 (2008) Tokyo Medical and Dental University 2D 3D TSV
18707892 2 Design and synthesis of carborane-containing androgen receptor (AR) antagonist bearing a pyridine ring.EBI Bioorg Med Chem 16: 8022-8 (2008) Tohoku Pharmaceutical University 2D 3D TSV
18707891 152 Oleanolic acid and its derivatives: new inhibitor of protein tyrosine phosphatase 1B with cellular activities.EBI Bioorg Med Chem 16: 8697-705 (2008) Chinese Academy of Sciences 2D 3D TSV
18707884 12 A 4-aminobenzoic acid derivative as novel lead for selective inhibitors of multidrug resistance-associated proteins.EBI Bioorg Med Chem Lett 18: 4761-3 (2008) University of Bonn 2D 3D TSV
18707880 18 Aglycone exploration of C-arylglucoside inhibitors of renal sodium-dependent glucose transporter SGLT2.EBI Bioorg Med Chem Lett 18: 4770-3 (2008) Princ 2D 3D TSV
18707091 14 Effect of cathepsin K inhibitors on bone resorption.EBI J Med Chem 51: 5459-62 (2008) Novartis Institutes for BioMedical Research 2D 3D TSV
18707090 68 Novel glucagon receptor antagonists with improved selectivity over the glucose-dependent insulinotropic polypeptide receptor.EBI J Med Chem 51: 5387-96 (2008) Novo Nordisk A/S 2D 3D TSV
18707088 72 Conformationally constrained analogues of diacylglycerol. 30. An investigation of diacylglycerol-lactones containing heteroaryl groups reveals compounds with high selectivity for Ras guanyl nucleotide-releasing proteins.EBI J Med Chem 51: 5371-86 (2008) National Cancer Institute at Frederick 2D 3D TSV
18707087 4 Modulating G-protein coupled receptor/G-protein signal transduction by small molecules suggested by virtual screening.EBI J Med Chem 51: 5297-303 (2008) Washington University School of Medicine 2D 3D TSV
18706809 45 Aryl sulfones as novel bradykinin B1 receptor antagonists for treatment of chronic pain.EBI Bioorg Med Chem Lett 18: 4764-9 (2008) Amgen Inc. 2D 3D TSV
18703340 1 Synthesis of both enantiomers of hydroxypipecolic acid derivatives equivalent to 5-azapyranuronic acids and evaluation of their inhibitory activities against glycosidases.EBI Bioorg Med Chem 16: 8273-86 (2008) Tohoku Pharmaceutical University 2D 3D TSV
18702539 5 Thermodynamic and kinetic characterization of host-guest association between bolaform surfactants and alpha- and beta-cyclodextrins.BDB J Phys Chem B 112: 11310-6 (2008) Lund University 2D 3D TSV
18702480 17 2-Thiazolylimino/heteroarylimino-5-arylidene-4-thiazolidinones as new agents with SHP-2 inhibitory action.BDB J Med Chem 51: 5221-8 (2008) Aristotle University 2D 3D TSV
18702457 1 Inhibition of IkappaB kinase-beta and anticancer activities of novel chalcone adamantyl arotinoids.EBI J Med Chem 51: 5431-40 (2008) Universidade de Vigo 2D 3D TSV
18701308 1 Design and synthesis of a metabolically stable and potent antitussive agent, a novel delta opioid receptor antagonist, TRK-851.EBI Bioorg Med Chem 16: 7956-67 (2008) Toray Industries, Inc. 2D 3D TSV
18701307 11 Characterization of the binding properties of SIRT2 inhibitors with a N-(3-phenylpropenoyl)-glycine tryptamide backbone.EBI Bioorg Med Chem 16: 8054-62 (2008) University of Kuopio 2D 3D TSV
18701305 29 Design, synthesis, and acetylcholinesterase inhibitory activity of novel coumarin analogues.EBI Bioorg Med Chem 16: 8011-21 (2008) China Pharmaceutical University 2D 3D TSV
18701301 38 Design, synthesis and biological evaluation of novel compounds with conjugated structure as anti-tumor agents.EBI Bioorg Med Chem 16: 7992-8002 (2008) China Pharmaceutical University 2D 3D TSV
18701300 55 Synthesis and elastase-inhibiting activity of 2-pyridinyl-isothiazol-3(2H)-one 1,1-dioxides.EBI Bioorg Med Chem 16: 8127-35 (2008) University of Leipzig 2D 3D TSV
18701276 97 Highly functionalized 7-azaindoles as selective PPAR gamma modulators.EBI Bioorg Med Chem Lett 18: 4798-801 (2008) Merck Research Laboratories 2D 3D TSV
18698758 242 Conformationally constrained analogues of diacylglycerol. 29. Cells sort diacylglycerol-lactone chemical zip codes to produce diverse and selective biological activities.EBI J Med Chem 51: 5198-220 (2008) National Cancer Institute at Frederick 2D 3D TSV
18698756 28 Discovery of the first potent and orally efficacious agonist of the orphan G-protein coupled receptor 119.EBI J Med Chem 51: 5172-5 (2008) Arena Pharmaceuticals 2D 3D TSV
18694948 17 Limited inhibitory effects of oseltamivir and zanamivir on human sialidases.EBI Antimicrob Agents Chemother 52: 3484-91 (2008) Miyagi Cancer Center Research Institute 2D 3D TSV
18694645 25 Potent CCR4 antagonists: synthesis, evaluation, and docking study of 2,4-diaminoquinazolines.EBI Bioorg Med Chem 16: 7968-74 (2008) Astellas Pharma Inc. 2D 3D TSV
18694642 6 Synthesis and calpain inhibitory activity of peptidomimetic compounds with constrained amino acids at the P2 position.EBI Bioorg Med Chem Lett 18: 4806-8 (2008) The University of Tennessee Health Science Center 2D 3D TSV
18694641 32 Pyridyl and thiazolyl bisamide CSF-1R inhibitors for the treatment of cancer.EBI Bioorg Med Chem Lett 18: 4794-7 (2008) AstraZeneca R&D Boston 2D 3D TSV
18693015 85 Thiadiazolopiperazinyl ureas as inhibitors of fatty acid amide hydrolase.EBI Bioorg Med Chem Lett 18: 4838-43 (2008) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
18691893 43 Thiazolidinone CFTR inhibitors with improved water solubility identified by structure-activity analysis.EBI Bioorg Med Chem 16: 8187-95 (2008) University of California 2D 3D TSV
18691892 52 Discovery of betamethasone 17alpha-carbamates as dissociated glucocorticoid receptor modulators in the rat.EBI Bioorg Med Chem 16: 7535-42 (2008) Merck Research Laboratories 2D 3D TSV
18691885 60 Novel N9-arenethenyl purines as potent dual Src/Abl tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 18: 4907-12 (2008) ARIAD Pharmaceuticals, Inc. 2D 3D TSV
18690678 66 Novel dual-targeting benzimidazole urea inhibitors of DNA gyrase and topoisomerase IV possessing potent antibacterial activity: intelligent design and evolution through the judicious use of structure-guided design and structure-activity relationships.BDB J Med Chem 51: 5243-63 (2008) Vertex 2D 3D TSV
18690677 25 Inhibition of siderophore biosynthesis in Mycobacterium tuberculosis with nucleoside bisubstrate analogues: structure-activity relationships of the nucleobase domain of 5'-O-[N-(salicyl)sulfamoyl]adenosine.EBI J Med Chem 51: 5349-70 (2008) University of Minnesota 2D 3D TSV
18690676 19 Discovery of pyrrolopyridine-pyridone based inhibitors of Met kinase: synthesis, X-ray crystallographic analysis, and biological activities.BDB J Med Chem 51: 5330-41 (2008) Bristol-Myers Squibb Company 2D 3D TSV
18690216 5 Cytosporone B is an agonist for nuclear orphan receptor Nur77.EBI Nat Chem Biol 4: 548-56 (2008) Xiamen University 2D 3D TSV
18686943 28 Recent advances on phosphodiesterase 4 inhibitors for the treatment of asthma and chronic obstructive pulmonary disease.EBI J Med Chem 51: 5471-89 (2008) Matrix Laboratories Limited 2D 3D TSV
18686942 20 Asymmetric synthesis of inhibitors of glycinamide ribonucleotide transformylase.BDB J Med Chem 51: 5441-8 (2008) The Scripps Research Institute 2D 3D TSV
18686941 11 Synthesis and biological evaluation of (-)- and (+)-debromoflustramine B and its analogues as selective butyrylcholinesterase inhibitors.EBI J Med Chem 51: 5271-84 (2008) Instituto Politécnico Nacional 2D 3D TSV
18684621 59 2-Substituted piperazine-derived imidazole carboxamides as potent and selective CCK1R agonists for the treatment of obesity.EBI Bioorg Med Chem Lett 18: 4833-7 (2008) Merck & Co. 2D 3D TSV
18683917 57 The alkaloid conessine and analogues as potent histamine H3 receptor antagonists.BDB J Med Chem 51: 5423-30 (2008) Abbott Laboratories 2D 3D TSV
18682324 33 Evaluation of indazole-based compounds as a new class of potent KDR/VEGFR-2 inhibitors.EBI Bioorg Med Chem Lett 18: 4844-8 (2008) Amgen, Inc. 2D 3D TSV
18682323 58 Discovery of 1,3-disubstituted-1H-pyrrole derivatives as potent melanin-concentrating hormone receptor 1 (MCH-R1) antagonists.EBI Bioorg Med Chem Lett 18: 4859-63 (2008) AstraZeneca R&D Mölndal 2D 3D TSV
18682322 93 Structure-activity relationship studies on a series of piperazinebenzylalcohols and their ketone and amine analogs as melanocortin-4 receptor ligands.EBI Bioorg Med Chem Lett 18: 4817-22 (2008) Neurocrine Biosciences, Inc. 2D 3D TSV
18681480 14 Bioactive 5alpha-pregnane-type steroidal alkaloids from Sarcococca hookeriana.EBI J Nat Prod 71: 1481-4 (2008) Bielefeld University 2D 3D TSV
18680359 66 Inhibitors of Src homology-2 domain containing protein tyrosine phosphatase-2 (Shp2) based on oxindole scaffolds.BDB J Med Chem 51: 4948-56 (2008) Moffitt Cancer Center 2D 3D TSV
18680280 34 Discovery of novel and long acting muscarinic acetylcholine receptor antagonists.EBI J Med Chem 51: 4866-9 (2008) GlaxoSmithKline 2D 3D TSV
18680277 198 Discovery and optimization of a novel series of N-arylamide oxadiazoles as potent, highly selective and orally bioavailable cannabinoid receptor 2 (CB2) agonists.EBI J Med Chem 51: 5019-34 (2008) Amgen Inc. 2D 3D TSV
18680276 46 Investigations on the 4-quinolone-3-carboxylic acid motif. 2. Synthesis and structure-activity relationship of potent and selective cannabinoid-2 receptor agonists endowed with analgesic activity in vivo.EBI J Med Chem 51: 5075-84 (2008) Universit£ degli Studi di Siena 2D 3D TSV
18680275 14 Synthesis and discovery of high affinity folate receptor-specific glycinamide ribonucleotide formyltransferase inhibitors with antitumor activity.EBI J Med Chem 51: 5052-63 (2008) Wayne State University School of Medicine 2D 3D TSV
18680274 44 Further studies on lead compounds containing the opioid pharmacophore Dmt-Tic.EBI J Med Chem 51: 5109-17 (2008) University of Cagliari 2D 3D TSV
18680272 1 Redesigning kinase inhibitors to enhance specificity.EBI J Med Chem 51: 4890-8 (2008) Rice University 2D 3D TSV
18680271 8 NMR screening for lead compounds using tryptophan-mutated proteins.EBI J Med Chem 51: 5035-42 (2008) Institute for Biochemistry 2D 3D TSV
18680269 7 Novel 1,4-benzothiazine derivatives as large conductance Ca2+-activated potassium channel openers.EBI J Med Chem 51: 5085-92 (2008) Universit£ degli Studi di Pisa 2D 3D TSV
18678495 41 Structure-activity relationships of new inhibitors of breast cancer resistance protein (ABCG2).EBI Bioorg Med Chem 16: 8224-36 (2008) University of Bonn 2D 3D TSV
18678489 39 Discovery of a potent and selective aurora kinase inhibitor.BDB Bioorg Med Chem Lett 18: 4880-4 (2008) Sunesis Pharmaceuticals 2D 3D TSV
18678488 49 8-Biarylchromen-4-one inhibitors of the DNA-dependent protein kinase (DNA-PK).EBI Bioorg Med Chem Lett 18: 4885-90 (2008) Newcastle University 2D 3D TSV
18678484 57 A novel 5-[1,3,4-oxadiazol-2-yl]-N-aryl-4,6-pyrimidine diamine having dual EGFR/HER2 kinase activity: design, synthesis, and biological activity.EBI Bioorg Med Chem Lett 18: 4896-9 (2008) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
18677305 3 Biomimetic synthesis of the IDO inhibitors exiguamine A and B.EBI Nat Chem Biol 4: 535-7 (2008) University of California 2D 3D TSV
18676144 93 Discovery of imidazole vinyl pyrimidines as a novel class of kinase inhibitors which inhibit Tie-2 and are orally bioavailable.EBI Bioorg Med Chem Lett 18: 4723-6 (2008) AstraZeneca 2D 3D TSV
18676143 38 Potent and selective pyrazole-based inhibitors of B-Raf kinase.BDB Bioorg Med Chem Lett 18: 4692-5 (2008) Array BioPharma 2D 3D TSV
18675545 9 Stereoselective synthesis and biological evaluation of 3,4-diaminocyclohexanecarboxylic acid derivatives as factor Xa inhibitors.EBI Bioorg Med Chem Lett 18: 4587-92 (2008) Daiichi Sankyo Co., Ltd. 2D 3D TSV
18674917 40 Synthesis, biological evaluation, and molecular modeling studies of methylene imidazole substituted biaryls as inhibitors of human 17alpha-hydroxylase-17,20-lyase (CYP17)--part II: Core rigidification and influence of substituents at the methylene bridge.EBI Bioorg Med Chem 16: 7715-27 (2008) Saarland University 2D 3D TSV
18674915 77 Synthesis of stable and selective inhibitors of human galectins-1 and -3.EBI Bioorg Med Chem 16: 7811-23 (2008) Universit£ du Qu£bec£ Montr£al 2D 3D TSV
18674906 2 A new multi-gram synthetic route to labeling precursors for the D(2/3) PET agent 18F-fallypride.EBI Bioorg Med Chem Lett 18: 4467-9 (2008) Vanderbilt University 2D 3D TSV
18674905 58 Factor VIIa inhibitors: target hopping in the serine protease family using X-ray structure determination.EBI Bioorg Med Chem Lett 18: 4533-7 (2008) Chugai Pharmaceutical Co., Ltd 2D 3D TSV
18674903 32 Discovery of dihydroquinoxalinone acetamides containing bicyclic amines as potent Bradykinin B1 receptor antagonists.EBI Bioorg Med Chem Lett 18: 4477-81 (2008) Amgen Inc. 2D 3D TSV
18674902 48 Synthesis and pharmacological evaluation of hydrophobic esters and ethers of butorphanol at opioid receptors.EBI Bioorg Med Chem Lett 18: 4474-6 (2008) Harvard Medical School 2D 3D TSV
18674901 32 Synthesis and biological evaluation of N-mercaptoacylproline and N-mercaptoacylthiazolidine-4-carboxylic acid derivatives as leukotriene A4 hydrolase inhibitors.EBI Bioorg Med Chem Lett 18: 4529-32 (2008) Santen Pharmaceutical Co., Ltd 2D 3D TSV
18674898 35 Aminomethylpiperazines as selective urotensin antagonists.EBI Bioorg Med Chem Lett 18: 4470-3 (2008) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
18672868 76 Synthesis, biological evaluation, and molecular modeling of abiraterone analogues: novel CYP17 inhibitors for the treatment of prostate cancer.BDB J Med Chem 51: 5009-18 (2008) Saarland University 2D 3D TSV
18672861 91 Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization on potency and selectivity.EBI J Med Chem 51: 5064-74 (2008) Saarland University 2D 3D TSV
18672368 14 4-(1H-indazol-5-yl)-6-phenylpyrimidin-2(1H)-one analogs as potent CDC7 inhibitors.EBI Bioorg Med Chem Lett 18: 4482-5 (2008) Novartis Institutes of Biomedical Research 2D 3D TSV
18672366 7 Stereoselectivity of binding of alpha-(N-benzylamino)benzylphosphonic acids to prostatic acid phosphatase.EBI Bioorg Med Chem Lett 18: 4620-3 (2008) National Academy of Sciences of Ukraine 2D 3D TSV
18672365 33 2-Arylpyrimidines: novel CRF-1 receptor antagonists.EBI Bioorg Med Chem Lett 18: 4486-90 (2008) Neurogen Corporation 2D 3D TSV
18672364 119 Structure-activity relationships of chiral selective norepinephrine reuptake inhibitors (sNRI) with increased oxidative stability.EBI Bioorg Med Chem Lett 18: 4491-4 (2008) Neurocrine Biosciences, Inc. 2D 3D TSV
18672316 41 Novel amide derivatives as inhibitors of histone deacetylase: design, synthesis and SAR.EBI Eur J Med Chem 44: 1067-85 (2009) Institute of Organic Synthesis 2D 3D TSV
18667313 22 New NSAIDs-NO hybrid molecules with antiproliferative properties on human prostatic cancer cell lines.EBI Bioorg Med Chem Lett 18: 4655-7 (2008) Université de Lille 2 2D 3D TSV
18667312 24 Clinical stage EGFR inhibitors irreversibly alkylate Bmx kinase.EBI Bioorg Med Chem Lett 18: 5916-9 (2008) The Scripps Research Institute 2D 3D TSV
18667310 49 Zwitterionic uracil derivatives as potent GnRH receptor antagonists with improved pharmaceutical properties.EBI Bioorg Med Chem Lett 18: 4503-7 (2008) Neurocrine Biosciences, Inc. 2D 3D TSV
18667309 123 Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with a heterocyclic ring constraint.EBI Bioorg Med Chem Lett 18: 4495-8 (2008) Neurocrine Biosciences, Inc. 2D 3D TSV
18667303 27 Orally active factor Xa inhibitors: investigation of a novel series of 3-amidinophenylsulfonamide derivatives using an amidoxime prodrug strategy.EBI Bioorg Med Chem Lett 18: 4682-7 (2008) Kissei Pharmaceutical Co., Ltd 2D 3D TSV
18666770 2 Synthesis and biological properties of benzothiazole, benzoxazole, and chromen-4-one analogues of the potent antitumor agent 2-(3,4-dimethoxyphenyl)-5-fluorobenzothiazole (PMX 610, NSC 721648).EBI J Med Chem 51: 5135-9 (2008) Cardiff University 2D 3D TSV
18666769 32 Design and synthesis of a novel series of N-alkyl isatin acylhydrazone derivatives that act as selective cannabinoid receptor 2 agonists for the treatment of neuropathic pain.EBI J Med Chem 51: 4932-47 (2008) The University of Texas M. D. Anderson Cancer Center 2D 3D TSV
18666768 39 Synthesis, stereochemical identification, and selective inhibitory activity against human monoamine oxidase-B of 2-methylcyclohexylidene-(4-arylthiazol-2-yl)hydrazones.EBI J Med Chem 51: 4874-80 (2008) Università degli Studi di Roma La Sapienza 2D 3D TSV
18666002 6 Structure-activity study of phosphoramido acid esters as acetylcholinesterase inhibitors.BDB J Enzyme Inhib Med Chem 23: 556-61 (2008) Imam Hossein University 2D 3D TSV
18666000 10 Effects of hydroxybenzyl alcohols on melanogenesis in melanocyte-keratinocyte co-culture and monolayer culture of melanocytes.BDB J Enzyme Inhib Med Chem 23: 526-34 (2008) National Tsing Hua University 2D 3D TSV
18665584 32 Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase.BDB J Med Chem 51: 4968-77 (2008) Bryn Mawr College 2D 3D TSV
18665582 12 3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydro-cyclopentapyrazole (MK-0354): a partial agonist of the nicotinic acid receptor, G-protein coupled receptor 109a, with antilipolytic but no vasodilatory activity in mice.EBI J Med Chem 51: 5101-8 (2008) Arena Pharmaceuticals 2D 3D TSV
18665581 23 Sulindac derivatives that activate the peroxisome proliferator-activated receptor gamma but lack cyclooxygenase inhibition.EBI J Med Chem 51: 4911-9 (2008) Vanderbilt University Center for Structural Biology 2D 3D TSV
18665579 21 Discovery of (R)-4-(8-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)-N-(3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-(piperidin-1-yl)piperidin-1-yl)propan-2-yl)piperidine-1-carboxamide (BMS-694153): a potent antagonist of the human calcitonin gene-related peptide receptor for migraine with rapid and efficEBI J Med Chem 51: 4858-61 (2008) Bristol-Myers Squibb Research & Development 2D 3D TSV
18663019 1 Molecular and biochemical characterization of SHV-56, a novel inhibitor-resistant beta-lactamase from Klebsiella pneumoniae.EBI Antimicrob Agents Chemother 52: 3792-4 (2008) Université de Bordeaux 2 2D 3D TSV
18662884 56 2-Phenoxy-indan-1-one derivatives as acetylcholinesterase inhibitors: a study on the importance of modifications at the side chain on the activity.EBI Bioorg Med Chem 16: 7646-53 (2008) Zhejiang University 2D 3D TSV
18662880 56 4-Amino-2-cyanopyrimidines: novel scaffold for nonpeptidic cathepsin S inhibitors.EBI Bioorg Med Chem Lett 18: 4642-6 (2008) Novartis Institutes for BioMedical Research 2D 3D TSV
18662879 54 Discovery of piperidine carboxamide TRPV1 antagonists.EBI Bioorg Med Chem Lett 18: 4569-72 (2008) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
18662878 12 4-(1,1-Dioxo-1,4-dihydro-1lambda6-benzo[1,4]thiazin-3-yl)-5-hydroxy-2H-pyridazin-3-ones as potent inhibitors of HCV NS5B polymerase.BDB Bioorg Med Chem Lett 18: 4628-32 (2008) Anadys Pharmaceuticals 2D 3D TSV
18662876 45 Improvement of the transactivation activity of phenylpropanoic acid-type peroxisome proliferator-activated receptor pan agonists: effect of introduction of fluorine at the linker part.EBI Bioorg Med Chem Lett 18: 4525-8 (2008) The University of Tokyo 2D 3D TSV
18662874 20 Knowledge-based design of 7-azaindoles as selective B-Raf inhibitors.EBI Bioorg Med Chem Lett 18: 4610-4 (2008) GlaxoSmithKline 2D 3D TSV
18662872 43 Aminoquinazolines as TRPV1 antagonists: modulation of drug-like properties through the exploration of 2-position substitution.EBI Bioorg Med Chem Lett 18: 4573-7 (2008) Neurogen Corporation 2D 3D TSV
18661965 12 Novel ligands rationally designed for characterizing I2-imidazoline binding sites nature and functions.EBI J Med Chem 51: 5130-4 (2008) Università degli Studi di Camerino 2D 3D TSV
18657980 14 Synthesis and pharmacological evaluation of pentacyclic 6a,7-dihydrodiindole and 2,3-dihydrodiindole derivatives as novel melatoninergic ligands.EBI Bioorg Med Chem 16: 7654-61 (2008) University of Würzburg 2D 3D TSV
18657971 14 Selectivity of inhibitors of endocannabinoid biosynthesis evaluated by activity-based protein profiling.EBI Bioorg Med Chem Lett 18: 5838-41 (2008) The Scripps Research Institute 2D 3D TSV
18656911 39 Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a novel cyclin dependent kinase inhibitor using fragment-based X-ray crystallography and structure based drug design.BDB J Med Chem 51: 4986-99 (2008) Astex 2D 3D TSV
18656910 2 Facile radiosynthesis of fluorine-18 labeled beta-blockers. Synthesis, radiolabeling, and ex vivo biodistribution of [18F]-(2S and 2R)-1-(1-fluoropropan-2-ylamino)-3-(m-tolyloxy)propan-2-ol.EBI J Med Chem 51: 5093-100 (2008) Centre for Addiction and Mental Health 2D 3D TSV
18656371 47 In silico prediction of novel phosphodiesterase type-5 inhibitors derived from Sildenafil, Vardenafil and Tadalafil.EBI Bioorg Med Chem 16: 7599-606 (2008) Universidade Federal de Lavras-UFLA 2D 3D TSV
18656351 1 A synthetic method for peptide-PEG-lipid conjugates: application of octreotide-PEG-DSPE synthesis.EBI Bioorg Med Chem Lett 18: 4593-6 (2008) Kuang Tien General Hospital 2D 3D TSV
18653333 32 4-Amino-6-arylamino-pyrimidine-5-carbaldehyde hydrazones as potent ErbB-2/EGFR dual kinase inhibitors.EBI Bioorg Med Chem Lett 18: 4615-9 (2008) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
18653260 24 Structure-based virtual screening for identification of novel 11beta-HSD1 inhibitors.EBI Eur J Med Chem 44: 1167-71 (2009) Institute of Materia Medica 2D 3D TSV
18652443 11 Blockade of glucocorticoid excess at the tissue level: inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 as a therapy for type 2 diabetes.EBI J Med Chem 51: 4851-7 (2008) Amgen Inc 2D 3D TSV
18651730 123 Discovery of a novel series of benzoic acid derivatives as potent and selective human beta3 adrenergic receptor agonists with good oral bioavailability. 3. Phenylethanolaminotetraline (PEAT) skeleton containing biphenyl or biphenyl ether moiety.EBI J Med Chem 51: 4804-22 (2008) Astellas Pharma Inc 2D 3D TSV
18651728 1 Discovery of 2-chloro-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine (EP128265, MPI-0441138) as a potent inducer of apoptosis with high in vivo activity.EBI J Med Chem 51: 4771-9 (2008) EpiCept Corporation 2D 3D TSV
18651727 15 Synthesis of GABAA receptor agonists and evaluation of their alpha-subunit selectivity and orientation in the GABA binding site.EBI J Med Chem 51: 4430-48 (2008) Johannes Gutenberg-UniVersity 2D 3D TSV
18650097 4 Synthesis and evaluation in vitro and in vivo of a 11C-labeled cyclooxygenase-2 (COX-2) inhibitor.EBI Bioorg Med Chem 16: 7662-70 (2008) Institute of Radiopharmacy 2D 3D TSV
18650096 17 Solid-phase synthesis and biological evaluation of a parallel library of 2,3-dihydro-1,5-benzothiazepines.EBI Bioorg Med Chem 16: 7691-7 (2008) Quaid-i-Azam University 2D 3D TSV
18650095 5 Synthesis and preliminary pharmacological evaluation of novel derivatives of L-beta-threo-benzylaspartate as inhibitors of the neuronal glutamate transporter EAAT3.EBI Bioorg Med Chem 16: 7740-8 (2008) The University of Montana 2D 3D TSV
18650094 12 Baicalin, a prodrug able to reach the CNS, is a prolyl oligopeptidase inhibitor.EBI Bioorg Med Chem 16: 7516-24 (2008) Institut de Recerca Biomèdica de Barcelona 2D 3D TSV
18650093 88 Design, synthesis and biological evaluation of new tryptamine and tetrahydro-beta-carboline-based selective inhibitors of CDK4.EBI Bioorg Med Chem 16: 7728-39 (2008) University of Leicester 2D 3D TSV
18650089 65 Allosteric FBPase inhibitors gain 10(5) times in potency when simultaneously binding two neighboring AMP sites.EBI Bioorg Med Chem Lett 18: 4708-12 (2008) F. Hoffmann-La Roche Ltd 2D 3D TSV
18646745 17 Identification of 4-aminopyrazolylpyrimidines as potent inhibitors of Trk kinases.BDB J Med Chem 51: 4672-84 (2008) AstraZeneca 2D 3D TSV
18646744 9 False positives in a reporter gene assay: identification and synthesis of substituted N-pyridin-2-ylbenzamides as competitive inhibitors of firefly luciferase.EBI J Med Chem 51: 4724-9 (2008) Leiden/Amsterdam Center for Drug Research 2D 3D TSV
18644969 1 Antimalarial activity of phenylthiazolyl-bearing hydroxamate-based histone deacetylase inhibitors.EBI Antimicrob Agents Chemother 52: 3467-77 (2008) Walter Reed Army Institute of Research 2D 3D TSV
18644957 6 Characterization of the new metallo-beta-lactamase VIM-13 and its integron-borne gene from a Pseudomonas aeruginosa clinical isolate in Spain.EBI Antimicrob Agents Chemother 52: 3589-96 (2008) Hospital Son Dureta 2D 3D TSV
18644727 12 Correlation of inhibitor effects on enzyme activity and thermal stability for the integral membrane protein fatty acid amide hydrolase.EBI Bioorg Med Chem Lett 18: 5847-50 (2008) The Scripps Research Institute 2D 3D TSV
18644726 36 3-(4-(6-Fluoroalkoxy-3,4-dihydroisoquinoline-2(1H)-yl)cyclohexyl)-1H-indole-5-carbonitriles for SERT imaging: chemical synthesis, evaluation in vitro and radiofluorination.EBI Bioorg Med Chem Lett 18: 4727-30 (2008) Institut für Interdisziplinäre Isotopenforschung 2D 3D TSV
18644722 36 Synthesis and evaluation of acylguanidine FXa inhibitors.EBI Bioorg Med Chem Lett 18: 4696-9 (2008) Bristol-Myers Squibb Research and Development 2D 3D TSV
18644721 131 Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-dihydro-2H-benzo[1,4]oxazines.EBI Bioorg Med Chem Lett 18: 4700-4 (2008) UCB 2D 3D TSV
18644719 18 Epiboxidine and novel-related analogues: a convenient synthetic approach and estimation of their affinity at neuronal nicotinic acetylcholine receptor subtypes.EBI Bioorg Med Chem Lett 18: 4651-4 (2008) Università degli Studi di Milano 2D 3D TSV
18644716 52 Inhibition of human mitochondrial carbonic anhydrases VA and VB with para-(4-phenyltriazole-1-yl)-benzenesulfonamide derivatives.EBI Bioorg Med Chem Lett 18: 4624-7 (2008) Griffith University 2D 3D TSV
18642893 11 Oxadiazole-carbonylaminothioureas as SIRT1 and SIRT2 inhibitors.EBI J Med Chem 51: 4377-80 (2008) University of Kuopio 2D 3D TSV
18642892 76 Use of the nitrile oxide cycloaddition (NOC) reaction for molecular probe generation: a new class of enzyme selective histone deacetylase inhibitors (HDACIs) showing picomolar activity at HDAC6.EBI J Med Chem 51: 4370-3 (2008) University of Illinois at Chicago 2D 3D TSV
18640844 38 Fluorinated phenylcyclopropylamines. Part 5: Effects of electron-withdrawing or -donating aryl substituents on the inhibition of monoamine oxidases A and B by 2-aryl-2-fluoro-cyclopropylamines.EBI Bioorg Med Chem 16: 7148-66 (2008) Universität Münster 2D 3D TSV
18640842 45 New tacrine-dihydropyridine hybrids that inhibit acetylcholinesterase, calcium entry, and exhibit neuroprotection properties.EBI Bioorg Med Chem 16: 7759-69 (2008) CSIC) 2D 3D TSV
18640836 9 Synthesis of 6- or 4-functionalized indoles via a reductive cyclization approach and evaluation as aromatase inhibitors.EBI Bioorg Med Chem Lett 18: 4713-5 (2008) Université de Nantes 2D 3D TSV
18640835 1 Cinnamic acids and mono-substituted benzoic acids as useful capping groups for the preparation of hNK2 receptor antagonists.EBI Bioorg Med Chem Lett 18: 4705-7 (2008) Menarini Ricerche S.p.A. 2D 3D TSV
18640833 19 Design of Helicobacter pylori glutamate racemase inhibitors as selective antibacterial agents: a novel pro-drug approach to increase exposure.EBI Bioorg Med Chem Lett 18: 4716-22 (2008) AstraZeneca R&D Boston 2D 3D TSV
18640044 24 Discovery and stereoselective synthesis of the novel isochroman neurokinin-1 receptor antagonist 'CJ-17,493'.EBI Bioorg Med Chem 16: 7193-205 (2008) Pfizer Global Research & Development 2D 3D TSV
18640043 20 Muscarinic receptor 1 agonist activity of novel N-arylthioureas substituted 3-morpholino arecoline derivatives in Alzheimer's presenile dementia models.EBI Bioorg Med Chem 16: 7095-101 (2008) University of Mysore 2D 3D TSV
18640038 74 Structural modifications of N-arylamide oxadiazoles: Identification of N-arylpiperidine oxadiazoles as potent and selective agonists of CB2.EBI Bioorg Med Chem Lett 18: 4267-74 (2008) Amgen Inc. 2D 3D TSV
18640037 48 Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-ray crystallographic studies.BDB Bioorg Med Chem Lett 18: 4282-6 (2008) Universita degli Studi di Firenze 2D 3D TSV
18640036 71 Synthesis and evaluation of heteroaryl-ketone derivatives as a novel class of VEGFR-2 inhibitors.EBI Bioorg Med Chem Lett 18: 4344-7 (2008) ImClone Systems Inc 2D 3D TSV
18639462 22 Nitrogen-containing flavonoid analogues as CDK1/cyclin B inhibitors: synthesis, SAR analysis, and biological activity.EBI Bioorg Med Chem 16: 7128-33 (2008) Dalian University of Technology 2D 3D TSV
18639455 43 Design and optimization of potent, selective antagonists of Oxytocin.EBI Bioorg Med Chem Lett 18: 4278-81 (2008) Pfizer Global Research and Development 2D 3D TSV
18639454 55 Exploration of a fundamental substituent effect of alpha-ketoheterocycle enzyme inhibitors: Potent and selective inhibitors of fatty acid amide hydrolase.EBI Bioorg Med Chem Lett 18: 5842-6 (2008) The Scripps Research Institute 2D 3D TSV
18637671 21 Structure-antitussive activity relationships of naltrindole derivatives. Identification of novel and potent antitussive agents.EBI J Med Chem 51: 4404-11 (2008) Toray Industries, Inc 2D 3D TSV
18637670 80 2-Amino-6-furan-2-yl-4-substituted nicotinonitriles as A2A adenosine receptor antagonists.EBI J Med Chem 51: 4449-55 (2008) Leiden/Amsterdam Center for Drug Research 2D 3D TSV
18637668 38 (9S)-9-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)-3,3-dimethyl-2,3,4,9-tetrahydro-1H-xanthen-1-one, a selective and orally active neuropeptide Y Y5 receptor antagonist.EBI J Med Chem 51: 4765-70 (2008) Tsukuba Research Institute 2D 3D TSV
18637666 7 Novel 4-aminoquinolines active against chloroquine-resistant and sensitive P. falciparum strains that also inhibit botulinum serotype A.BDB J Med Chem 51: 4388-91 (2008) UniVersity of Belgrade 2D 3D TSV
18636690 11 Structural basis for the potent calpain inhibitory activity of peptidyl alpha-ketoacids.BDB J Med Chem 51: 4346-50 (2008) University of Tennessee Health Science Center 2D 3D TSV
18635349 13 Structure-activity relationship studies on vitamin D lactam derivatives as vitamin D receptor antagonist.EBI Bioorg Med Chem Lett 18: 4287-90 (2008) Tokyo University of Agriculture and Technology 2D 3D TSV
18632269 18 Discovery of piperidine-aryl urea-based stearoyl-CoA desaturase 1 inhibitors.EBI Bioorg Med Chem Lett 18: 4298-302 (2008) Abbott Laboratories 2D 3D TSV
18632268 8 Discovery and optimization of pyridazinone non-nucleoside inhibitors of HIV-1 reverse transcriptase.EBI Bioorg Med Chem Lett 18: 4352-4 (2008) Roche Palo Alto LLC 2D 3D TSV
18630897 36 Selective nucleoside triphosphate diphosphohydrolase-2 (NTPDase2) inhibitors: nucleotide mimetics derived from uridine-5'-carboxamide.EBI J Med Chem 51: 4518-28 (2008) University of Bonn 2D 3D TSV
18630896 10 Structure-based development of novel adenylyl cyclase inhibitors.EBI J Med Chem 51: 4456-64 (2008) Ruhr-University Bochum 2D 3D TSV
18630894 10 Slow self-activation enhances the potency of viridin prodrugs.EBI J Med Chem 51: 4699-707 (2008) Harvard Medical School 2D 3D TSV
18630893 11 Identification and validation of human DNA ligase inhibitors using computer-aided drug design.EBI J Med Chem 51: 4553-62 (2008) University of Maryland 2D 3D TSV
18630892 6 Substituted 6-phenyl-2-naphthols. Potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1): design, synthesis, biological evaluation, and pharmacokinetics.EBI J Med Chem 51: 4685-98 (2008) Saarland University 2D 3D TSV
18630890 24 A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability.BDB J Med Chem 51: 4465-75 (2008) Genentech 2D 3D TSV
18630870 236 Optimization of the central heterocycle of alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase.EBI J Med Chem 51: 4392-403 (2008) Institute for Chemical Biology 2D 3D TSV
18629680 9 Synthesis and biological evaluation of some new N(4)-substituted isatin-3-thiosemicarbazones.BDB J Enzyme Inhib Med Chem 24: 437-46 (2009) Bahauddin Zakariya University 2D 3D TSV
18625560 3 Synthesis and evaluation of pyrazolo[3,4-b]pyridines and its structural analogues as TNF-alpha and IL-6 inhibitors.EBI Bioorg Med Chem 16: 7167-76 (2008) Piramal Life Sciences Limited 2D 3D TSV
18625559 16 Design and synthesis of novel oxazole containing 1,3-dioxane-2-carboxylic acid derivatives as PPAR alpha/gamma dual agonists.EBI Bioorg Med Chem 16: 7117-27 (2008) Zydus Research Centre 2D 3D TSV
18625557 60 N-Benzyl-N-(pyrrolidin-3-yl)carboxamides as a new class of selective dual serotonin/noradrenaline reuptake inhibitors.EBI Bioorg Med Chem Lett 18: 4308-11 (2008) Pfizer Global Research and Development 2D 3D TSV
18625556 20 Synthesis and evaluation of alpha,alpha'-disubstituted phenylacetate derivatives for T-type calcium channel blockers.EBI Bioorg Med Chem Lett 18: 4424-7 (2008) Institute of Science and Technology 2D 3D TSV
18625554 2 Discovery of triazolinone non-nucleoside inhibitors of HIV reverse transcriptase.EBI Bioorg Med Chem Lett 18: 4348-51 (2008) Roche Palo Alto LLC 2D 3D TSV
18625553 5 N-Acyl-3-amino-5H-furanone derivatives as new inhibitors of LuxR-dependent quorum sensing: Synthesis, biological evaluation and binding mode study.EBI Bioorg Med Chem Lett 18: 4321-4 (2008) INSA 2D 3D TSV
18625552 88 4-(1,3-Thiazol-2-yl)morpholine derivatives as inhibitors of phosphoinositide 3-kinase.EBI Bioorg Med Chem Lett 18: 4316-20 (2008) UCB 2D 3D TSV
18624395 16 High affinity conformationally constrained nociceptin/orphanin FQ(1-13) amide analogues.EBI J Med Chem 51: 4385-7 (2008) University of Maryland 2D 3D TSV
18621536 15 QSAR study of imidazoline antihypertensive drugs.EBI Bioorg Med Chem 16: 7134-40 (2008) University of Belgrade 2D 3D TSV
18621530 30 Structure-activity relationship study of bone morphogenetic protein (BMP) signaling inhibitors.EBI Bioorg Med Chem Lett 18: 4388-92 (2008) Harvard Medical School 2D 3D TSV
18621528 133 Derivatives of (3S)-N-(biphenyl-2-ylmethyl)pyrrolidin-3-amine as selective noradrenaline reuptake inhibitors: Reducing P-gp mediated efflux by modulation of H-bond acceptor capacity.EBI Bioorg Med Chem Lett 18: 4355-9 (2008) Pfizer Global Research and Development 2D 3D TSV
18621524 17 The identification of potent, selective and CNS penetrant furan-based inhibitors of B-Raf kinase.BDB Bioorg Med Chem Lett 18: 4373-6 (2008) GSK 2D 3D TSV
18621523 10 Conformationally constrained farnesoid X receptor (FXR) agonists: Naphthoic acid-based analogs of GW 4064.BDB Bioorg Med Chem Lett 18: 4339-43 (2008) GSK 2D 3D TSV
18621522 18 N-(thiazol-2-yl)-2-thiophene carboxamide derivatives as Abl inhibitors identified by a pharmacophore-based database screening of commercially available compounds.EBI Bioorg Med Chem Lett 18: 4328-31 (2008) Università degli Studi di Siena 2D 3D TSV
18620864 7 Novel inhibitors of anthrax edema factor.EBI Bioorg Med Chem 16: 7225-33 (2008) University of Texas Medical Branch 2D 3D TSV
18620382 41 Discovery of 5-[[4-[(2,3-dimethyl-2H-indazol-6-yl)methylamino]-2-pyrimidinyl]amino]-2-methyl-benzenesulfonamide (Pazopanib), a novel and potent vascular endothelial growth factor receptor inhibitor.BDB J Med Chem 51: 4632-40 (2008) GSK 2D 3D TSV
18620381 9 Novel indoline-based acyl-CoA:cholesterol acyltransferase inhibitor with antiperoxidative activity: improvement of physicochemical properties and biological activities by introduction of carboxylic acid.EBI J Med Chem 51: 4823-33 (2008) Kyoto Pharmaceutical Industries 2D 3D TSV
18620380 8 Selectivity determinants of inhibitor binding to human 20alpha-hydroxysteroid dehydrogenase: crystal structure of the enzyme in ternary complex with coenzyme and the potent inhibitor 3,5-dichlorosalicylic acid.BDB J Med Chem 51: 4844-8 (2008) Monash University 2D 3D TSV
18619839 25 Pyrazole inhibitors of coactivator associated arginine methyltransferase 1 (CARM1).EBI Bioorg Med Chem Lett 18: 4438-41 (2008) Bristol-Myers Squibb Pharmaceutical Research and Development 2D 3D TSV
18619713 28 Design, synthesis and evaluation of novel uracil acetamide derivatives as potential inhibitors of Plasmodium falciparum dUTP nucleotidohydrolase.EBI Eur J Med Chem 44: 678-88 (2009) University of Wales Cardiff 2D 3D TSV
18617397 21 Imidazole piperazines: SAR and development of a potent class of cyclin-dependent kinase inhibitors with a novel binding mode.EBI Bioorg Med Chem Lett 18: 4442-6 (2008) AstraZeneca Pharmaceuticals 2D 3D TSV
18614367 17 Exploring 9-benzyl purines as inhibitors of glutamate racemase (MurI) in Gram-positive bacteria.EBI Bioorg Med Chem Lett 18: 4368-72 (2008) AstraZeneca R&D Boston 2D 3D TSV
18614366 97 Biphenyl amide p38 kinase inhibitors 3: Improvement of cellular and in vivo activity.EBI Bioorg Med Chem Lett 18: 4428-32 (2008) GlaxoSmithKline R&D 2D 3D TSV
18614364 109 Discovery of imidazole carboxamides as potent and selective CCK1R agonists.EBI Bioorg Med Chem Lett 18: 4393-6 (2008) Merck Research Laboratories 2D 3D TSV
18613661 1 Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase.EBI J Med Chem 51: 4482-7 (2008) University of Oxford 2D 3D TSV
18610999 24 Naturally occurring homoisoflavonoids function as potent protein tyrosine kinase inhibitors by c-Src-based high-throughput screening.EBI J Med Chem 51: 4419-29 (2008) Institute of Materia Medica 2D 3D TSV
18608771 8 In silico studies of urease inhibitors to explore ligand-enzyme interactions.BDB J Enzyme Inhib Med Chem 24: 151-6 (2009) Quaid-i-Azam University 2D 3D TSV
18608767 15 Inhibitory effects on mushroom tyrosinase by flavones from the stem barks of Morus lhou (S.) Koidz.BDB J Enzyme Inhib Med Chem 23: 922-30 (2008) Gyeongsang National University 2D 3D TSV
18608755 4 New tryptophanase inhibitors: towards prevention of bacterial biofilm formation.BDB J Enzyme Inhib Med Chem 24: 350-5 (2009) Ben-Gurion University of the Negev 2D 3D TSV
18608754 33 Kinetic properties and inhibition of the dimeric dUTPase-dUDPase from Campylobacter jejuni.BDB J Enzyme Inhib Med Chem 24: 111-6 (2009) Instituto de Parastiologia y Biomedicina "Lopez-Neyra" 2D 3D TSV
18608752 48 Carbonic anhydrase inhibitors. Biphenylsulfonamides with inhibitory action towards the transmembrane, tumor-associated isozymes IX possess cytotoxic activity against human colon, lung and breast cancer cell lines.BDB J Enzyme Inhib Med Chem 24: 499-505 (2009) Egyptian Petroleum Research Institute 2D 3D TSV
18608743 11 Design and synthesis of substituted imidazole and triazole N-phenylbenzo[d]oxazolamine inhibitors of retinoic acid metabolizing enzyme CYP26.BDB J Enzyme Inhib Med Chem 24: 487-98 (2009) Cardiff University 2D 3D TSV
18606546 3 Synthesis and cytotoxic, anti-inflammatory, and anti-oxidant activities of 2',5'-dialkoxylchalcones as cancer chemopreventive agents.EBI Bioorg Med Chem 16: 7270-6 (2008) Kaohsiung Medical University 2D 3D TSV
18606543 68 2-Alkenylthieno[2,3-b]pyridine-5-carbonitriles: Potent and selective inhibitors of PKCtheta.EBI Bioorg Med Chem Lett 18: 4420-3 (2008) Wyeth Research 2D 3D TSV
18606542 7 Refinement of histamine H3 ligands pharmacophore model leads to a new class of potent and selective naphthalene inverse agonists.EBI Bioorg Med Chem Lett 18: 4377-9 (2008) F. Hoffmann-La Roche Ltd. 2D 3D TSV
18605720 120 The effect of 5-alkyl modification on the biological activity of pyrrolo[2,3-d]pyrimidine containing classical and nonclassical antifolates as inhibitors of dihydrofolate reductase and as antitumor and/or antiopportunistic infection agents.EBI J Med Chem 51: 4589-600 (2008) Duquesne University 2D 3D TSV
18605718 17 Inhibition of acetylcholinesterase, beta-amyloid aggregation, and NMDA receptors in Alzheimer's disease: a promising direction for the multi-target-directed ligands gold rush.EBI J Med Chem 51: 4381-4 (2008) UniVersity of Bologna 2D 3D TSV
18605717 41 Discovery of (-)-7-methyl-2-exo-[3'-(6-[18F]fluoropyridin-2-yl)-5'-pyridinyl]-7-azabicyclo[2.2.1]heptane, a radiolabeled antagonist for cerebral nicotinic acetylcholine receptor (alpha4beta2-nAChR) with optimal positron emission tomography imaging properties.EBI J Med Chem 51: 4751-64 (2008) The Johns Hopkins UniVersity School of Medicine 2D 3D TSV
18605714 205 Highly specific and broadly potent inhibitors of mammalian secreted phospholipases A2.EBI J Med Chem 51: 4708-14 (2008) University of Washington 2D 3D TSV
18603434 15 The discovery of small molecule chemical probes of Bcl-X(L) and Mcl-1.EBI Bioorg Med Chem 16: 7443-9 (2008) EntreMed Inc. 2D 3D TSV
18603331 73 The influence of an ethylene spacer on the 5-HT(1A) and 5-HT(2A) receptor affinity of arylpiperazine derivatives of amides with N-acylated amino acids and 3-differently substituted pyrrolidine-2,5-diones.EBI Eur J Med Chem 44: 800-8 (2009) Jagiellonian University Medical College 2D 3D TSV
18602830 70 Structure-activity correlations for beta-phenethylamines at human trace amine receptor 1.EBI Bioorg Med Chem 16: 7415-23 (2008) RTI International 2D 3D TSV
18602262 56 Biphenyl amide p38 kinase inhibitors 4: DFG-in and DFG-out binding modes.EBI Bioorg Med Chem Lett 18: 4433-7 (2008) GlaxoSmithKline R&D 2D 3D TSV
18602261 65 Synthesis and structure-activity relationship of 1H-indole-3-carboxylic acid pyridine-3-ylamides: a novel series of 5-HT2C receptor antagonists.EBI Bioorg Med Chem Lett 18: 3844-7 (2008) Korea Research Institute of Chemical Technology 2D 3D TSV
18602260 177 Discovery of conformationally rigid 3-azabicyclo[3.1.0]hexane-derived dipeptidyl peptidase-IV inhibitors.EBI Bioorg Med Chem Lett 18: 4087-91 (2008) Ranbaxy Research Laboratories 2D 3D TSV
18602198 1 A three-step synthesis from rebeccamycin of an efficient checkpoint kinase 1 inhibitor.EBI Eur J Med Chem 44: 2234-8 (2009) Université Blaise Pascal 2D 3D TSV
18599297 50 Selective angiotensin II AT2 receptor agonists: Benzamide structure-activity relationships.EBI Bioorg Med Chem 16: 6841-9 (2008) Uppsala University 2D 3D TSV
18599296 27 Functionalized pyrrolidine inhibitors of human type II alpha-mannosidases as anti-cancer agents: optimizing the fit to the active site.EBI Bioorg Med Chem 16: 7337-46 (2008) Ecole Polytechnique Fédérale de Lausanne 2D 3D TSV
18599160 4 Synthesis and adrenolytic activity of 1-(1H-indol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol and its enantiomers. Part 1.EBI Eur J Med Chem 44: 809-17 (2009) Rzeszów University of Technology 2D 3D TSV
18598080 2 Kinetic studies and bioactivity of potential manzamine prodrugs.EBI J Nat Prod 71: 1218-21 (2008) The University of Mississippi 2D 3D TSV
18598020 75 Synthesis, structure-activity relationships, and biological profiles of a quinazolinone class of histamine H3 receptor inverse agonists.EBI J Med Chem 51: 4780-9 (2008) Tsukuba Research Institute 2D 3D TSV
18598017 28 Synthesis, biological evaluation, and enzyme docking simulations of 1,5-diarylpyrrole-3-alkoxyethyl ethers as selective cyclooxygenase-2 inhibitors endowed with anti-inflammatory and antinociceptive activity.EBI J Med Chem 51: 4476-81 (2008) Universita di Siena 2D 3D TSV
18598015 53 Synthesis of new arylpiperazinylalkylthiobenzimidazole, benzothiazole, or benzoxazole derivatives as potent and selective 5-HT1A serotonin receptor ligands.EBI J Med Chem 51: 4529-38 (2008) Università di Catania 2D 3D TSV
18595721 32 Design, synthesis, and biological evaluation of pirenzepine analogs bearing a 1,2-cyclohexanediamine and perhydroquinoxaline units in exchange for the piperazine ring as antimuscarinics.EBI Bioorg Med Chem 16: 7311-20 (2008) Alma Mater Studiorum-University of Bologna 2D 3D TSV
18595720 1 2-N-Methyl modifications and SAR studies of manzamine A.EBI Bioorg Med Chem 16: 6702-6 (2008) The University of Mississippi 2D 3D TSV
18595718 51 In vitro inhibition of glycogen-degrading enzymes and glycosidases by six-membered sugar mimics and their evaluation in cell cultures.EBI Bioorg Med Chem 16: 7330-6 (2008) Hokuriku University 2D 3D TSV
18595717 2 Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors.EBI Bioorg Med Chem 16: 7377-87 (2008) The National Hellenic Research Foundation 2D 3D TSV
18595716 142 Identification of a butyrophenone analog as a potential atypical antipsychotic agent: 4-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]-1-(4-fluorophenyl)butan-1-one.EBI Bioorg Med Chem 16: 7291-301 (2008) Florida A&M University 2D 3D TSV
18595695 43 Synthesis and activity of N-cyanoguanidine-piperazine P2X7 antagonists.EBI Bioorg Med Chem Lett 18: 3848-51 (2008) Abbott Bioresearch Center 2D 3D TSV
18595693 48 Design and optimization of aniline-substituted tetrahydroquinoline C5a receptor antagonists.EBI Bioorg Med Chem Lett 18: 3852-5 (2008) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
18595691 1 Oxidative inactivation of protein tyrosine phosphatase 1B by organic hydroperoxides.EBI Bioorg Med Chem Lett 18: 5856-9 (2008) University of Missouri-Columbia 2D 3D TSV
18595689 4 Synthesis of 4-oxo-4,7-dihydrofuro[2,3-b]pyridine-5-carboxamides with broad-spectrum human herpesvirus polymerase inhibition.EBI Bioorg Med Chem Lett 18: 3856-9 (2008) Pfizer Inc. 2D 3D TSV
18591276 6 Functional cloning and characterization of the multidrug efflux pumps NorM from Neisseria gonorrhoeae and YdhE from Escherichia coli.EBI Antimicrob Agents Chemother 52: 3052-60 (2008) Iowa State University 2D 3D TSV
18590959 61 Discovery of novel and potent aryl diamines as leukotriene A4 hydrolase inhibitors.EBI Bioorg Med Chem Lett 18: 3895-8 (2008) Berlex Biosciences 2D 3D TSV
18590272 33 Chiral aromatase and dual aromatase-steroid sulfatase inhibitors from the letrozole template: synthesis, absolute configuration, and in vitro activity.BDB J Med Chem 51: 4226-38 (2008) University of Bath 2D 3D TSV
18589438 10 Structure of the BH3 domains from the p53-inducible BH3-only proteins Noxa and Puma in complex with Mcl-1.BDB J Mol Biol 380: 958-71 (2008) University of Otago 2D 3D TSV
18588282 63 Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity.BDB J Med Chem 51: 4150-69 (2008) Johnson & Johnson Pharmaceutical 2D 3D TSV
18588281 3 Ribose-modified purine nucleosides as ribonucleotide reductase inhibitors. Synthesis, antitumor activity, and molecular modeling of N6-substituted 3'-C-methyladenosine derivatives.EBI J Med Chem 51: 4260-9 (2008) Università di Camerino 2D 3D TSV
18588279 13 SAR, pharmacokinetics, safety, and efficacy of glucokinase activating 2-(4-sulfonylphenyl)-N-thiazol-2-ylacetamides: discovery of PSN-GK1.EBI J Med Chem 51: 4340-5 (2008) Oxford OX4 6LT 2D 3D TSV
18587388 3 A potent mechanism-inspired O-GlcNAcase inhibitor that blocks phosphorylation of tau in vivo.EBI Nat Chem Biol 4: 483-90 (2008) Simon Fraser University 2D 3D TSV
18586498 47 Progesterone receptor antagonists with a 3-phenylquinazoline-2,4-dione/2-phenylisoquinoline-1,3-dione skeleton.EBI Bioorg Med Chem 16: 7046-54 (2008) The University of Tokyo 2D 3D TSV
18586492 81 Synthesis of N-alkyl glycine amides as potent inhibitors of leukotriene A4 hydrolase.EBI Bioorg Med Chem Lett 18: 3891-4 (2008) Berlex Biosciences 2D 3D TSV
18586490 40 Synthesis and SAR of novel, potent and orally bioavailable benzimidazole inhibitors of poly(ADP-ribose) polymerase (PARP) with a quaternary methylene-amino substituent.EBI Bioorg Med Chem Lett 18: 3955-8 (2008) Abbott Laboratories 2D 3D TSV
18586356 40 Synthesis of new dipyrrolo- and furopyrrolopyrazinones related to tripentones and their biological evaluation as potential kinases (CDKs1-5, GSK-3) inhibitors.EBI Eur J Med Chem 44: 708-16 (2009) Université de Caen Basse-Normandie 2D 3D TSV
18585912 6 Design and synthesis of novel 3-hydroxy-cyclobut-3-ene-1,2-dione derivatives as thyroid hormone receptor beta (TR-beta) selective ligands.EBI Bioorg Med Chem Lett 18: 3919-24 (2008) Zydus Research Centre 2D 3D TSV
18585390 20 The molecular structure of epoxide hydrolase B from Mycobacterium tuberculosis and its complex with a urea-based inhibitor.BDB J Mol Biol 381: 897-912 (2008) University of Alberta 2D 3D TSV
18585047 59 QSAR prediction of inhibition of aldose reductase for flavonoids.EBI Bioorg Med Chem 16: 7470-6 (2008) INIFTA (UNLP, CCT La Plata-CONICET) 2D 3D TSV
18585046 32 A novel Syk family kinase inhibitor: design, synthesis, and structure-activity relationship of 1,2,4-triazolo[4,3-c]pyrimidine and 1,2,4-triazolo[1,5-c]pyrimidine derivatives.EBI Bioorg Med Chem 16: 7347-57 (2008) Kissei Pharmaceutical Company Ltd 2D 3D TSV
18585045 22 Homo- and hetero-bivalent edrophonium-like ammonium salts as highly potent, dual binding site AChE inhibitors.EBI Bioorg Med Chem 16: 7450-6 (2008) Università di Bari 2D 3D TSV
18585036 18 Synthesis and binding studies of 2-O- and 11-O-substituted N-alkylnoraporphines.EBI Bioorg Med Chem Lett 18: 3971-3 (2008) Harvard Medical School 2D 3D TSV
18585035 13 T-type Ca2+ channel blockers suppress the growth of human cancer cells.EBI Bioorg Med Chem Lett 18: 3899-901 (2008) Kyung Hee University 2D 3D TSV
18585034 6 Synthesis of macrocyclic trypanosomal cysteine protease inhibitors.EBI Bioorg Med Chem Lett 18: 5860-3 (2008) Scripps Florida 2D 3D TSV
18583139 26 Bis(sulfonamide) isosters of mycophenolic adenine dinucleotide analogues: inhibition of inosine monophosphate dehydrogenase.EBI Bioorg Med Chem 16: 7462-9 (2008) University of Minnesota 2D 3D TSV
18583130 25 A regiospecific synthesis of a series of 1-sulfonyl azepinoindoles as potent 5-HT6 ligands.EBI Bioorg Med Chem Lett 18: 3929-31 (2008) Wyeth Research 2D 3D TSV
18583128 3 Isosteric exchange of the acylsulfonamide moiety in Abbott's Bcl-XL protein interaction antagonist.EBI Bioorg Med Chem Lett 18: 4115-7 (2008) University of Pittsburgh 2D 3D TSV
18583127 1 Synthesis of novel ketoconazole derivatives as inhibitors of the human Pregnane X Receptor (PXR; NR1I2; also termed SXR, PAR).EBI Bioorg Med Chem Lett 18: 3974-7 (2008) Albert Einstein College of Medicine 2D 3D TSV
18582436 4 ERRgamma tethers strongly bisphenol A and 4-alpha-cumylphenol in an induced-fit manner.BDB Biochem Biophys Res Commun 373: 408-13 (2008) Kyushu University 2D 3D TSV
18579388 18 Illudalic acid as a potential LAR inhibitor: synthesis, SAR, and preliminary studies on the mechanism of action.EBI Bioorg Med Chem 16: 7399-409 (2008) Chinese Academy of Sciences 2D 3D TSV
18579386 40 Novel sterically hindered cannabinoid CB1 receptor ligands.EBI Bioorg Med Chem 16: 7510-5 (2008) University of Salerno 2D 3D TSV
18579385 132 Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid.BDB Bioorg Med Chem 16: 7424-8 (2008) Universita degli Studi di Firenze 2D 3D TSV
18579376 23 Novel alkoxybenzamide inhibitors of poly(ADP-ribose) polymerase.BDB Bioorg Med Chem Lett 18: 3942-5 (2008) KuDOS Pharmaceuticals Ltd 2D 3D TSV
18579375 3 Discovery of an Aurora kinase inhibitor through site-specific dynamic combinatorial chemistry.EBI Bioorg Med Chem Lett 18: 3978-81 (2008) Sunesis Pharmaceuticals, Inc. 2D 3D TSV
18579373 22 Discovery of novel hydroxy-thiazoles as HIF-alpha prolyl hydroxylase inhibitors: SAR, synthesis, and modeling evaluation.EBI Bioorg Med Chem Lett 18: 3925-8 (2008) Amgen, Inc. 2D 3D TSV
18578517 93 Design, synthesis, and biological evaluation of novel Tri- and tetrasubstituted imidazoles as highly potent and specific ATP-mimetic inhibitors of p38 MAP kinase: focus on optimized interactions with the enzyme's surface-exposed front region.EBI J Med Chem 51: 4122-49 (2008) Eberhard-Karls-University Tuebingen 2D 3D TSV
18578516 83 Piperazine sulfonamides as potent, selective, and orally available 11beta-hydroxysteroid dehydrogenase type 1 inhibitors with efficacy in the rat cortisone-induced hyperinsulinemia model.EBI J Med Chem 51: 4068-71 (2008) Wyeth Research 2D 3D TSV
18578478 60 Chemo-enzymatic synthesis of a series of 2,4-syn-functionalized (S)-glutamate analogues: new insight into the structure-activity relation of ionotropic glutamate receptor subtypes 5, 6, and 7.EBI J Med Chem 51: 4093-103 (2008) Universite Blaise Pascal 2D 3D TSV
18578477 77 Chemo-enzymatic synthesis of (2S,4R)-2-amino-4-(3-(2,2-diphenylethylamino)-3-oxopropyl)pentanedioic acid: a novel selective inhibitor of human excitatory amino acid transporter subtype 2.EBI J Med Chem 51: 4085-92 (2008) Universite Blaise Pascal 2D 3D TSV
18578476 82 Alpha2-adrenoreceptors profile modulation. 4. From antagonist to agonist behavior.EBI J Med Chem 51: 4289-99 (2008) Universit£ degli Studi di Camerino 2D 3D TSV
18578474 27 N-Hydroxypyrazolyl glycine derivatives as selective N-methyl-D-aspartic acid receptor ligands.EBI J Med Chem 51: 4179-87 (2008) University of Copenhagen 2D 3D TSV
18578472 16 Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer.EBI J Med Chem 51: 4239-52 (2008) Merck Research Laboratories 2D 3D TSV
18578471 16 Synthesis and pharmacological evaluation of novel gamma-aminobutyric acid type B (GABAB) receptor agonists as gastroesophageal reflux inhibitors.BDB J Med Chem 51: 4315-20 (2008) AstraZeneca 2D 3D TSV
18578470 5 Inhibition of the signal transducer and activator of transcription-3 (STAT3) signaling pathway by 4-oxo-1-phenyl-1,4-dihydroquinoline-3-carboxylic acid esters.EBI J Med Chem 51: 4115-21 (2008) Wyeth Research 2D 3D TSV
18573659 47 Urotensin-II receptor antagonists: synthesis and SAR of N-cyclic azaalkyl benzamides.EBI Bioorg Med Chem Lett 18: 3950-4 (2008) GlaxoSmithKline 2D 3D TSV
18573658 17 Discovery of novel 1,2,3,4-tetrahydroisoquinolines and 3,4-dihydroisoquinoline-1(2H)-ones as potent and selective inhibitors of KDR: synthesis, SAR, and pharmacokinetic properties.EBI Bioorg Med Chem Lett 18: 4054-8 (2008) Amgen Inc. 2D 3D TSV
18572932 64 New endomorphin analogues containing alicyclic beta-amino acids: influence on bioactive conformation and pharmacological profile.EBI J Med Chem 51: 4270-9 (2008) Hungarian Academy of Sciences 2D 3D TSV
18572407 75 Balancing oral exposure with Cyp3A4 inhibition in benzimidazole-based IGF-IR inhibitors.EBI Bioorg Med Chem Lett 18: 4075-80 (2008) Bristol-Myers Squibb Co. 2D 3D TSV
18572406 1 Carbonic anhydrase inhibitors: thioxolone versus sulfonamides for obtaining isozyme-selective inhibitors?EBI Bioorg Med Chem Lett 18: 3938-41 (2008) Università degli Studi di Firenze 2D 3D TSV
18572405 85 Discovery of selective and nonpeptidic cathepsin S inhibitors.EBI Bioorg Med Chem Lett 18: 3959-62 (2008) Novartis Institutes for BioMedical Research 2D 3D TSV
18571928 2 Synthesis, human telomerase inhibition and anti-proliferative studies of a series of 2,7-bis-substituted amido-anthraquinone derivatives.EBI Bioorg Med Chem 16: 6976-86 (2008) National Defense Medical Center 2D 3D TSV
18571922 49 Discovery of brain penetrant, soluble, pyrazole amide EP1 receptor antagonists.EBI Bioorg Med Chem Lett 18: 4027-32 (2008) GlaxoSmithKline 2D 3D TSV
18571921 72 Synthesis and biological evaluation of trisubstituted imidazole derivatives as inhibitors of p38alpha mitogen-activated protein kinase.EBI Bioorg Med Chem Lett 18: 4006-10 (2008) Ewha Womans University 2D 3D TSV
18571421 78 Studies toward the discovery of the next generation of antidepressants. Part 6: Dual 5-HT1A receptor and serotonin transporter affinity within a class of arylpiperazinyl-cyclohexyl indole derivatives.EBI Bioorg Med Chem 16: 6707-23 (2008) Wyeth Research 2D 3D TSV
18571420 71 4-(Anilino)pyrrole-2-carboxamides: Novel non-steroidal/non-anilide type androgen antagonists effective upon human prostate tumor LNCaP cells with mutated nuclear androgen receptor.EBI Bioorg Med Chem 16: 6799-812 (2008) The University of Tokyo 2D 3D TSV
18571419 24 Novel aminopeptidase N inhibitors derived from 1,3,4-thiadiazole scaffold.EBI Bioorg Med Chem 16: 6663-8 (2008) ShanDong University 2D 3D TSV
18571418 20 Synthesis, biological evaluation and molecular modelling of N-heterocyclic dipeptide aldehydes as selective calpain inhibitors.BDB Bioorg Med Chem 16: 6911-23 (2008) University of Canterbury 2D 3D TSV
18571405 2 Simultaneous identification of multiple receptors of natural product using an optimized cDNA phage display cloning.EBI Bioorg Med Chem Lett 18: 3995-8 (2008) Chinese Academy of Sciences 2D 3D TSV
18571404 132 Designing rapid onset selective serotonin re-uptake inhibitors. 2: structure-activity relationships of substituted (aryl)benzylamines.EBI Bioorg Med Chem Lett 18: 4018-21 (2008) Pfizer Global Research and Development 2D 3D TSV
18571402 24 Effect of novel N-cyano-tetrahydro-pyridazine compounds, a class of cathepsin K inhibitors, on the bone resorptive activity of mature osteoclasts.EBI Bioorg Med Chem Lett 18: 3988-91 (2008) Korea Research Institute of Chemical Technology 2D 3D TSV
18570368 27 Carbamates with differential mechanism of inhibition toward acetylcholinesterase and butyrylcholinesterase.EBI J Med Chem 51: 4200-12 (2008) Dalhousie University 2D 3D TSV
18570366 9 Discovery of N-(2-aminophenyl)-4-[(4-pyridin-3-ylpyrimidin-2-ylamino)methyl]benzamide (MGCD0103), an orally active histone deacetylase inhibitor.BDB J Med Chem 51: 4072-5 (2008) MethylGene Inc. 2D 3D TSV
18570365 29 The many roles for fluorine in medicinal chemistry.EBI J Med Chem 51: 4359-69 (2008) Merck Research Laboratories 2D 3D TSV
18570364 4 Potency and selectivity of trifluoroacetylimino and pyrazinoylimino nicotinic insecticides and their fit at a unique binding site niche.EBI J Med Chem 51: 4213-8 (2008) University of California 2D 3D TSV
18569349 5 Investigation of the effects of some sulfonamide derivatives on the activities of glucose-6-phosphate dehydrogenase, 6-phospho gluconate dehydrogenase and glutathione reductase from human erythrocytes.BDB J Enzyme Inhib Med Chem 23: 418-23 (2008) Dumlupinar University 2D 3D TSV
18569346 3 alpha-Chymotrypsin inhibition studies on the lignans from Vitex negundo Linn.BDB J Enzyme Inhib Med Chem 23: 400-5 (2008) University of Karachi 2D 3D TSV
18569345 5 Modulation of Anopheles gambiae Epsilon glutathione transferase activity by plant natural products in vitro.BDB J Enzyme Inhib Med Chem 23: 391-9 (2008) University of Zimbabwe 2D 3D TSV
18569333 14 Butyrylcholinesterase, lipoxygenase inhibiting and antifungal alkaloids from Isatis tinctoria.BDB J Enzyme Inhib Med Chem 23: 313-6 (2008) PCSIR Laboratories Complex 2D 3D TSV
18565755 8 BACE1 inhibitory effects of lavandulyl flavanones from Sophora flavescens.EBI Bioorg Med Chem 16: 6669-74 (2008) Gyeongsang National University School of Medicine 2D 3D TSV
18565754 4 Synthesis and biological activity of some new flavonyl-2,4-thiazolidinediones.EBI Bioorg Med Chem 16: 6747-51 (2008) Ankara University 2D 3D TSV
18565342 8 Modeling, analysis, and validation of a novel HIV integrase structure provide insights into the binding modes of potent integrase inhibitors.BDB J Mol Biol 380: 504-19 (2008) Gilead Sciences Inc. 2D 3D TSV
18563892 26 Structure-activity relationships of 7-deaza-6-benzylthioinosine analogues as ligands of Toxoplasma gondii adenosine kinase.EBI J Med Chem 51: 3934-45 (2008) University of Georgia 2D 3D TSV
18562201 13 Synthesis and pharmacological investigation of novel 2-aminothiazole-privileged aporphines.EBI Bioorg Med Chem 16: 6675-81 (2008) Chinese Academy of Sciences 2D 3D TSV
18562199 18 Biaryl and heteroaryl derivatives of SCH 58261 as potent and selective adenosine A2A receptor antagonists.EBI Bioorg Med Chem Lett 18: 4199-203 (2008) Schering-Plough Research Institute 2D 3D TSV
18559524 21 BIBF 1120: triple angiokinase inhibitor with sustained receptor blockade and good antitumor efficacy.EBI Cancer Res 68: 4774-82 (2008) Boehringer Ingelheim Austria GmbH 2D 3D TSV
18558747 5 Xanthones from the botanical dietary supplement mangosteen (Garcinia mangostana) with aromatase inhibitory activity.EBI J Nat Prod 71: 1161-6 (2008) University of Illinois at Chicago 2D 3D TSV
18558742 8 Spheciosterol sulfates, PKCzeta inhibitors from a philippine sponge Spheciospongia sp.EBI J Nat Prod 71: 1213-7 (2008) University of Utah 2D 3D TSV
18558669 119 Trithiocarbonates as a novel class of HDAC inhibitors: SAR studies, isoenzyme selectivity, and pharmacological profiles.EBI J Med Chem 51: 3985-4001 (2008) Nycomed GmbH 2D 3D TSV
18558492 16 The use of natural product scaffolds as leads in the search for trypanothione reductase inhibitors.EBI Bioorg Med Chem 16: 6689-95 (2008) Pontificia Universidad Catolica del Peru 2D 3D TSV
18558486 26 Design, synthesis, and evaluation of fused heterocyclic analogs of SCH 58261 as adenosine A2A receptor antagonists.EBI Bioorg Med Chem Lett 18: 4204-9 (2008) Schering-Plough Research Institute 2D 3D TSV
18557609 42 Modulation of peripheral serotonin levels by novel tryptophan hydroxylase inhibitors for the potential treatment of functional gastrointestinal disorders.EBI J Med Chem 51: 3684-7 (2008) Princ 2D 3D TSV
18557608 108 Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine reuptake inhibitors.EBI J Med Chem 51: 4038-49 (2008) Wyeth Research 2D 3D TSV
18557607 8 Synthesis and biological evaluation of substituted [18F]imidazo[1,2-a]pyridines and [18F]pyrazolo[1,5-a]pyrimidines for the study of the peripheral benzodiazepine receptor using positron emission tomography.EBI J Med Chem 51: 3700-12 (2008) Radiopharmaceuticals Research Institute 2D 3D TSV
18557606 64 7-Aminopyrazolo[1,5-a]pyrimidines as potent multitargeted receptor tyrosine kinase inhibitors.EBI J Med Chem 51: 3777-87 (2008) Abbott Laboratories 2D 3D TSV
18556651 4 Small neutralizing molecules to inhibit actions of the chemokine CXCL12.BDB J Biol Chem 283: 23189-99 (2008) Université Louis Pasteur 2D 3D TSV
18556210 75 Synthesis and monoamine transporter binding properties of 2beta-[3'-(substituted benzyl)isoxazol-5-yl]- and 2beta-[3'-methyl-4'-(substituted phenyl)isoxazol-5-yl]-3beta-(substituted phenyl)tropanes.EBI Bioorg Med Chem 16: 6682-8 (2008) Research Triangle Institute 2D 3D TSV
18556209 8 Anti-retroviral and cytostatic activity of 2',3'-dideoxyribonucleoside 3'-disulfides.EBI Bioorg Med Chem 16: 6824-31 (2008) Université de Grenoble/CNRS 2D 3D TSV
18556208 48 Ligands to the (IRAP)/AT4 receptor encompassing a 4-hydroxydiphenylmethane scaffold replacing Tyr2.EBI Bioorg Med Chem 16: 6924-35 (2008) Uppsala University 2D 3D TSV
18556202 37 Discovery of a novel series of Notch-sparing gamma-secretase inhibitors.BDB Bioorg Med Chem Lett 18: 4232-6 (2008) Wyeth Research 2D 3D TSV
18556199 234 Inhibitors of dipeptidyl peptidase 8 and dipeptidyl peptidase 9. Part 1: identification of dipeptide derived leads.EBI Bioorg Med Chem Lett 18: 4154-8 (2008) University of Antwerp 2D 3D TSV
18556198 125 Inhibitors of dipeptidyl peptidase 8 and dipeptidyl peptidase 9. Part 2: isoindoline containing inhibitors.EBI Bioorg Med Chem Lett 18: 4159-62 (2008) University of Antwerp 2D 3D TSV
18555687 14 A re-examination of the difluoromethylenesulfonic acid group as a phosphotyrosine mimic for PTP1B inhibition.EBI Bioorg Med Chem 16: 6764-77 (2008) University of Waterloo 2D 3D TSV
18555562 6 Novel 8-deaza-5,6,7,8-tetrahydroaminopterin derivatives as dihydrofolate inhibitor: design, synthesis and antifolate activity.EBI Eur J Med Chem 44: 764-71 (2009) Peking University 2D 3D TSV
18554914 17 Design, synthesis, and structure-affinity relationship studies in NK1 receptor ligands based on azole-fused quinolinecarboxamide moieties.EBI Bioorg Med Chem 16: 6850-9 (2008) Università degli Studi di Siena 2D 3D TSV
18554909 50 Discovery of a potent and selective c-Kit inhibitor for the treatment of inflammatory diseases.EBI Bioorg Med Chem Lett 18: 4137-41 (2008) Amgen Inc. 2D 3D TSV
18554908 63 Amino acid anthranilamide derivatives as a new class of glycogen phosphorylase inhibitors.EBI Bioorg Med Chem Lett 18: 4068-71 (2008) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
18554907 35 Structure-based design, synthesis, and biological evaluation of 1,1-dioxoisothiazole and benzo[b]thiophene-1,1-dioxide derivatives as novel inhibitors of hepatitis C virus NS5B polymerase.BDB Bioorg Med Chem Lett 18: 4181-5 (2008) Anadys Pharmaceuticals 2D 3D TSV
18554905 6 Design and synthesis of novel 2-pyridone peptidomimetic falcipain 2/3 inhibitors.EBI Bioorg Med Chem Lett 18: 4210-4 (2008) University of Algarve 2D 3D TSV
18554904 26 Novel H3 receptor antagonists with improved pharmacokinetic profiles.EBI Bioorg Med Chem Lett 18: 4133-6 (2008) Arena Pharmaceuticals 2D 3D TSV
18554903 5 (D)-2-tert-Butoxycarbonylamino-5,5-difluoro-5-phenyl-pentanoic acid: synthesis and incorporation into the growth hormone secretagogues.EBI Bioorg Med Chem Lett 18: 4072-4 (2008) Princ 2D 3D TSV
18553959 21 Discovery of a potent, selective, and orally bioavailable c-Met inhibitor: 1-(2-hydroxy-2-methylpropyl)-N-(5-(7-methoxyquinolin-4-yloxy)pyridin-2-yl)-5-methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide (AMG 458).BDB J Med Chem 51: 3688-91 (2008) Amgen 2D 3D TSV
18553958 28 A tissue-selective nonsteroidal progesterone receptor modulator: 7,9-difluoro-5-(3-methylcyclohex-2-enyl)-2,2,4-trimethyl-1,2-dihydrochromeno[3,4-f]quinoline.EBI J Med Chem 51: 3696-9 (2008) Ligand Pharmaceuticals Inc. 2D 3D TSV
18553956 38 2-Aminobenzophenones as a novel class of bradykinin B1 receptor antagonists.EBI J Med Chem 51: 3946-52 (2008) Merck Research Laboratories 2D 3D TSV
18553955 43 Discovery of novel, potent benzamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1) exhibiting oral activity in an enzyme inhibition ex vivo model.EBI J Med Chem 51: 3953-60 (2008) Amgen, Inc. 2D 3D TSV
18553954 126 Discovery of a novel series of biphenyl benzoic acid derivatives as highly potent and selective human beta3 adrenergic receptor agonists with good oral bioavailability. Part II.EBI J Med Chem 51: 4002-20 (2008) Astellas Pharma Inc. 2D 3D TSV
18550373 97 The design and synthesis of potent and cell-active allosteric dual Akt 1 and 2 inhibitors devoid of hERG activity.EBI Bioorg Med Chem Lett 18: 4191-4 (2008) Merck Research Laboratories 2D 3D TSV
18550372 14 Synthesis and SAR of a mGluR5 allosteric partial antagonist lead: unexpected modulation of pharmacology with slight structural modifications to a 5-(phenylethynyl)pyrimidine scaffold.EBI Bioorg Med Chem Lett 18: 4098-101 (2008) Vanderbilt University Medical Center 2D 3D TSV
18550370 33 Achieving structural diversity using the perpendicular conformation of alpha-substituted phenylcyclopropanes to mimic the bioactive conformation of ortho-substituted biphenyl P4 moieties: discovery of novel, highly potent inhibitors of Factor Xa.EBI Bioorg Med Chem Lett 18: 4118-23 (2008) Bristol-Myers Squibb Company 2D 3D TSV
18550369 82 Discovery of a potent, selective, and less flexible selective norepinephrine reuptake inhibitor (sNRI).EBI Bioorg Med Chem Lett 18: 4224-7 (2008) Neurocrine Biosciences Inc. 2D 3D TSV
18550228 40 Design, synthesis and evaluation of galanthamine derivatives as acetylcholinesterase inhibitors.EBI Eur J Med Chem 44: 772-84 (2009) Zhejiang University 2D 3D TSV
18547811 9 New trypanocidal hybrid compounds from the association of hydrazone moieties and benzofuroxan heterocycle.EBI Bioorg Med Chem 16: 6995-7004 (2008) Unviersidad de la República 2D 3D TSV
18547807 19 Discovery of a novel, potent and orally active series of gamma-lactams as selective NK1 antagonists.EBI Bioorg Med Chem Lett 18: 4168-71 (2008) Schering-Plough Research Institute 2D 3D TSV
18547806 100 Discovery of a novel class of 2-ureido thiophene carboxamide checkpoint kinase inhibitors.EBI Bioorg Med Chem Lett 18: 4242-8 (2008) AstraZeneca R&D Boston 2D 3D TSV
18547805 6 3-Alkenyl-2-azetidinones as fatty acid amide hydrolase inhibitors.EBI Bioorg Med Chem Lett 18: 4163-7 (2008) Université catholique de Louvain 2D 3D TSV
18547114 18 Alpha-glucosidase inhibitor from Kothala-himbutu (Salacia reticulata WIGHT).EBI J Nat Prod 71: 981-4 (2008) Fuji-Sangyo Co., Ltd. 2D 3D TSV
18543900 105 Synthesis and pharmacological characterization of chiral pyrrolidinylfuran derivatives: the discovery of new functionally selective muscarinic agonists.EBI J Med Chem 51: 3905-12 (2008) Universit£ di Firenze 2D 3D TSV
18543899 171 Design and in vitro characterization of highly sst2-selective somatostatin antagonists suitable for radiotargeting.EBI J Med Chem 51: 4030-7 (2008) University of Berne 2D 3D TSV
18541433 45 Discovery and SAR of 2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide: A potent inhibitor of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer.BDB Bioorg Med Chem 16: 6965-75 (2008) Abbott Laboratories 2D 3D TSV
18541424 4 Synthesis and biological evaluation of 1-(benzenesulfonamido)-2-[5-(N-hydroxypyridin-2(1H)-one)]acetylene regioisomers: a novel class of 5-lipoxygenase inhibitors.EBI Bioorg Med Chem Lett 18: 4195-8 (2008) University of Alberta 2D 3D TSV
18541345 2 The metabolism of CYP2C9 and CYP2C19 for gliclazide by homology modeling and docking study.EBI Eur J Med Chem 44: 854-61 (2009) Jilin University 2D 3D TSV
18540668 56 Thermodynamic and structure guided design of statin based inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase.BDB J Med Chem 51: 3804-13 (2008) Pfizer Inc. 2D 3D TSV
18540667 2 Theoretical studies on the structure and symmetry of the transmembrane region of glutamatergic GluR5 receptor.EBI J Med Chem 51: 3765-76 (2008) Medical University of Lublin 2D 3D TSV
18540666 8 Design, synthesis, and evaluation of a novel 4-aminomethyl-4-fluoropiperidine as a T-type Ca2+ channel antagonist.EBI J Med Chem 51: 3692-5 (2008) Merck Research Laboratories 2D 3D TSV
18539457 19 Synthesis and screening of small molecule inhibitors of anthrax edema factor.EBI Bioorg Med Chem Lett 18: 4215-8 (2008) The University of Texas Medical Branch 2D 3D TSV
18539456 106 Discovery of potent and cell-active allosteric dual Akt 1 and 2 inhibitors.EBI Bioorg Med Chem Lett 18: 4186-90 (2008) Merck Research Laboratories 2D 3D TSV
18539455 31 Pyrazolopyridines as a novel structural class of potent and selective PDE4 inhibitors.EBI Bioorg Med Chem Lett 18: 4237-41 (2008) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
18539454 47 Imidazopyridines as VLA-4 integrin antagonists.EBI Bioorg Med Chem Lett 18: 4146-9 (2008) UCB 2D 3D TSV
18539453 9 Identification of novel non-peptide CXCR4 antagonists by ligand-based design approach.EBI Bioorg Med Chem Lett 18: 4124-9 (2008) Kyoto University 2D 3D TSV
18539035 20 Discovery of potent CCR4 antagonists: Synthesis and structure-activity relationship study of 2,4-diaminoquinazolines.EBI Bioorg Med Chem 16: 7021-32 (2008) Astellas Pharma Inc. 2D 3D TSV
18539034 16 2-Substituted-16-ene-22-thia-1alpha,25-dihydroxy-26,27-dimethyl-19-norvitamin D3 analogs: Synthesis, biological evaluation, and crystal structure.EBI Bioorg Med Chem 16: 6949-64 (2008) Tokyo Medical and Dental University 2D 3D TSV
18539031 126 Studies on the structure-activity relationship of bicifadine analogs as monoamine transporter inhibitors.EBI Bioorg Med Chem Lett 18: 3682-6 (2008) Neurocrine Biosciences, Inc. 2D 3D TSV
18539029 25 Protein subtype-targeting through ligand epimerization: talose-selectivity of galectin-4 and galectin-8.EBI Bioorg Med Chem Lett 18: 3691-4 (2008) Lund University 2D 3D TSV
18539028 81 Discovery of potent, orally active benzimidazole glucagon receptor antagonists.EBI Bioorg Med Chem Lett 18: 3701-5 (2008) Merck Research Laboratories 2D 3D TSV
18539026 5 Microwave-assisted synthesis of 5-aminopyrazol-4-yl ketones and the p38(MAPK) inhibitor RO3201195 for study in Werner syndrome cells.EBI Bioorg Med Chem Lett 18: 3745-8 (2008) Cardiff University 2D 3D TSV
18538575 3 Petrosamine, a potent anticholinesterase pyridoacridine alkaloid from a Thai marine sponge Petrosia n. sp.EBI Bioorg Med Chem 16: 6560-7 (2008) Mahidol University 2D 3D TSV
18538451 109 Three-dimensional QSAR analyses of 1,3,4-trisubstituted pyrrolidine-based CCR5 receptor inhibitors.EBI Eur J Med Chem 43: 2724-34 (2008) Beijing University of Technology 2D 3D TSV
18537234 55 A novel class of cycloalkano[b]pyridines as potent and orally active opioid receptor-like 1 antagonists with minimal binding affinity to the hERG K+ channel.EBI J Med Chem 51: 4021-9 (2008) Tsukuba Research Institute 2D 3D TSV
18537233 108 Selective influence on contextual memory: physiochemical properties associated with selectivity of benzodiazepine ligands at GABAA receptors containing the alpha5 subunit.EBI J Med Chem 51: 3788-803 (2008) Moltech Corporation 2D 3D TSV
18534857 2 [11C]cyclopropyl-FLB 457: a PET radioligand for low densities of dopamine D2 receptors.EBI Bioorg Med Chem 16: 6467-73 (2008) Institutet 2D 3D TSV
18534856 38 Identification of 4-benzylamino-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide derivatives as potent and orally bioavailable STAT6 inhibitors.EBI Bioorg Med Chem 16: 6509-21 (2008) Astellas Pharma Inc. 2D 3D TSV
18534847 37 Dopamine/serotonin receptor ligands. Part 17: a cross-target SAR approach: affinities of azecine-styled ligands for 5-HT(2A) versus D1 and D2 receptors.EBI Bioorg Med Chem Lett 18: 3809-13 (2008) Friedrich-Schiller-Universit£t Jena 2D 3D TSV
18533710 45 Characterization of the drug binding specificity of rat liver fatty acid binding protein.EBI J Med Chem 51: 3755-64 (2008) Monash University (Parkville Campus) 2D 3D TSV
18533708 25 Discovery of nonsteroidal 17beta-hydroxysteroid dehydrogenase 1 inhibitors by pharmacophore-based screening of virtual compound libraries.EBI J Med Chem 51: 4188-99 (2008) University of Innsbruck 2D 3D TSV
18529047 156 Design, synthesis, and biological evaluation of novel 3-aryl-4-(1H-indole-3yl)-1,5-dihydro-2H-pyrrole-2-ones as vascular endothelial growth factor receptor (VEGF-R) inhibitors.EBI J Med Chem 51: 3814-24 (2008) Eberhard-Karls University 2D 3D TSV
18529044 2 Sodium late current blockers in ischemia reperfusion: is the bullet magic?EBI J Med Chem 51: 3856-66 (2008) Pierre Fabre Research Center 2D 3D TSV
18528996 18 Novel gamma-aminobutyric acid rho1 receptor antagonists; synthesis, pharmacological activity and structure-activity relationships.EBI J Med Chem 51: 3825-40 (2008) University of Sydney 2D 3D TSV
18524604 36 Exploring the substituent effects on a novel series of C1'-dimethyl-aryl Delta8-tetrahydrocannabinol analogs.EBI Bioorg Med Chem 16: 6489-500 (2008) University of Tennessee-Memphis 2D 3D TSV
18524593 12 First synthesis of alpha-aminoalkyl-(N-substituted)thiocarbamoyl-phosphinates: inhibitors of aminopeptidase N (APN/CD13) with the new zinc-binding group.EBI Bioorg Med Chem Lett 18: 3734-6 (2008) Wroc£?aw University of Technology 2D 3D TSV
18524592 4 Effect of some P-glycoprotein modulators on Rhodamine-123 absorption in guinea-pig ileum.EBI Bioorg Med Chem Lett 18: 3741-4 (2008) Università degli Studi di Bari 2D 3D TSV
18524591 62 Potent and selective small-molecule human urotensin-II antagonists with improved pharmacokinetic profiles.EBI Bioorg Med Chem Lett 18: 3716-9 (2008) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
18524589 8 Development of a novel fluorescent probe for fluorescence correlation spectroscopic detection of kinase inhibitors.EBI Bioorg Med Chem Lett 18: 3752-5 (2008) The University of Tokyo 2D 3D TSV
18524585 20 Design, synthesis and evaluation of isaindigotone derivatives as acetylcholinesterase and butyrylcholinesterase inhibitors.EBI Bioorg Med Chem Lett 18: 3790-3 (2008) Sun Yat-sen University 2D 3D TSV
18524582 52 Discovery of new binding elements in DPP-4 inhibition and their applications in novel DPP-4 inhibitor design.EBI Bioorg Med Chem Lett 18: 3706-10 (2008) Merck Research Laboratories 2D 3D TSV
18524423 16 Design, synthesis and characterization of N9/N7-substituted 6-aminopurines as VEGF-R and EGF-R inhibitors.EBI Eur J Med Chem 44: 1788-93 (2009) Eberhard-Karls-University 2D 3D TSV
18524420 17 A class of potent tyrosinase inhibitors: alkylidenethiosemicarbazide compounds.EBI Eur J Med Chem 44: 1773-8 (2009) Sun Yat-sen University 2D 3D TSV
18522867 149 Novel benzimidazole derivatives as selective CB2 agonists.EBI Bioorg Med Chem Lett 18: 3695-700 (2008) AstraZeneca R&D Montréal 2D 3D TSV
18522386 14 Triazolopyrimidine-based dihydroorotate dehydrogenase inhibitors with potent and selective activity against the malaria parasite Plasmodium falciparum.BDB J Med Chem 51: 3649-53 (2008) University of Texas Southwestern Medical Center at Dallas 2D 3D TSV
18522384 11 Chemically induced dimerization of human nonpancreatic secretory phospholipase A2 by bis-indole derivatives.BDB J Med Chem 51: 3360-6 (2008) Peking University 2D 3D TSV
18517260 26 Naturally Occurring Pentacyclic Triterpenes as Inhibitors of Glycogen Phosphorylase: Synthesis, Structure-Activity Relationships, and X-ray Crystallographic Studies.BDB J Med Chem 51: 3540-54 (2008) China Pharmaceutical University 2D 3D TSV
18517187 14 1-[(Imidazolidin-2-yl)imino]indazole. Highly alpha 2/I1 selective agonist: synthesis, X-ray structure, and biological activity.EBI J Med Chem 51: 3599-608 (2008) Medical University of Gda£?sk 2D 3D TSV
18517184 47 Novel donepezil-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation.EBI J Med Chem 51: 3588-98 (2008) Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC) 2D 3D TSV
18515116 3 Synthesis of 3',4'-epoxynoraristeromycin analogs for molecular labeling probe of S-adenosyl-l-homocysteine hydrolase.EBI Bioorg Med Chem 16: 6575-9 (2008) Gifu University 2D 3D TSV
18515099 12 Design, synthesis, and structure-activity relationship study of a novel class of ORL1 receptor antagonists based on N-biarylmethyl spiropiperidine.EBI Bioorg Med Chem Lett 18: 3778-82 (2008) Tsukuba Research Institute 2D 3D TSV
18514530 100 Synthesis and potency of novel uracil nucleotides and derivatives as P2Y2 and P2Y6 receptor agonists.EBI Bioorg Med Chem 16: 6319-32 (2008) NIDDK 2D 3D TSV
18514529 11 Design, synthesis and biological evaluation of bis(hydroxyphenyl) azoles as potent and selective non-steroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases.EBI Bioorg Med Chem 16: 6423-35 (2008) Saarland University 2D 3D TSV
18513967 103 Discovery of nonsteroidal glucocorticoid receptor ligands based on 6-indole-1,2,3,4-tetrahydroquinolines.EBI Bioorg Med Chem Lett 18: 3504-8 (2008) Ligand Pharmaceuticals 2D 3D TSV
18513964 45 Carbonic anhydrase inhibitors: design of spin-labeled sulfonamides incorporating TEMPO moieties as probes for cytosolic or transmembrane isozymes.EBI Bioorg Med Chem Lett 18: 3475-80 (2008) Universit£ degli Studi di Firenze 2D 3D TSV
18513963 7 Design, synthesis and evaluation of potent thymidylate synthase X inhibitors.EBI Bioorg Med Chem Lett 18: 3628-31 (2008) Ecole Nationale Sup£rieure de Chimie de Paris 2D 3D TSV
18512985 3 Phloroglucinols with antioxidant activity and xanthonolignoids from the heartwood of Hypericum geminiflorum.EBI J Nat Prod 71: 1027-31 (2008) Kaohsiung Medical University 2D 3D TSV
18512901 27 Conformationally constrained analogues of N-(piperidinyl)-5-(4-chlorophenyl)-1-(2,4- dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide (SR141716): design, synthesis, computational analysis, and biological evaluations.EBI J Med Chem 51: 3526-39 (2008) Research Triangle Institute 2D 3D TSV
18511284 64 2-phenyl-4-piperazinylbenzimidazoles: orally active inhibitors of the gonadotropin releasing hormone (GnRH) receptor.EBI Bioorg Med Chem 16: 6617-40 (2008) Wyeth Research 2D 3D TSV
18511278 87 Discovery and initial SAR of arylsulfonylpiperazine inhibitors of 11beta-hydroxysteroid dehydrogenase type 1 (11beta-HSD1).BDB Bioorg Med Chem Lett 18: 3513-6 (2008) Amgen Inc. 2D 3D TSV
18511276 86 Design, synthesis, and structure-activity relationships of piperidine and dehydropiperidine carboxylic acids as novel, potent dual PPARalpha/gamma agonists.EBI Bioorg Med Chem Lett 18: 3545-50 (2008) Bristol-Myers Squibb R&D 2D 3D TSV
18511157 15 Analogs of JHU75528, a PET ligand for imaging of cerebral cannabinoid receptors (CB1): development of ligands with optimized lipophilicity and binding affinity.EBI Eur J Med Chem 44: 593-608 (2009) Johns Hopkins University School of Medicine 2D 3D TSV
18510371 2 Clavatadine A, a natural product with selective recognition and irreversible inhibition of factor XIa.EBI J Med Chem 51: 3583-7 (2008) Griffith University 2D 3D TSV
18508265 13 TrkA kinase inhibitors from a library of modified and isosteric Staurosporine aglycone.EBI Bioorg Med Chem Lett 18: 3551-5 (2008) Cephalon, Inc. 2D 3D TSV
18508264 44 Discovery of novel 4-amino-6-arylaminopyrimidine-5-carbaldehyde oximes as dual inhibitors of EGFR and ErbB-2 protein tyrosine kinases.EBI Bioorg Med Chem Lett 18: 3495-9 (2008) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
18507372 31 Synthesis and quantitative structure-activity relationship of fatty acid amide hydrolase inhibitors: modulation at the N-portion of biphenyl-3-yl alkylcarbamates.EBI J Med Chem 51: 3487-98 (2008) Università degli Studi di Parma 2D 3D TSV
18507371 24 Discovery of imidazo[1,5-c]imidazol-3-ones: weakly basic, orally active factor Xa inhibitors.EBI J Med Chem 51: 3422-36 (2008) Takeda Pharmaceutical Co., Ltd. 2D 3D TSV
18507370 7 Homology modeling and site-directed mutagenesis to identify selective inhibitors of endothelin-converting enzyme-2.EBI J Med Chem 51: 3378-87 (2008) Mount Sinai School of Medicine 2D 3D TSV
18507369 85 Designing selective, high affinity ligands of 5-HT1D receptor by covalent dimerization of 5-HT1F ligands derived from 4-fluoro-N-[3-(1-methyl-4-piperidinyl)-1H-indol-5-yl]benzamide.EBI J Med Chem 51: 3609-16 (2008) Theravance, Inc. 2D 3D TSV
18507367 20 Flavonoids for controlling starch digestion: structural requirements for inhibiting human alpha-amylase.BDB J Med Chem 51: 3555-61 (2008) Nestle Research Center 2D 3D TSV
18507366 20 Synthesis and Biological Evaluation of d-Amino Acid Oxidase Inhibitors.BDB J Med Chem 51: 3357-9 (2008) MGI Pharma 2D 3D TSV
18505853 2 Comparative study of the susceptibilities of major epidemic clones of methicillin-resistant Staphylococcus aureus to oxacillin and to the new broad-spectrum cephalosporin ceftobiprole.EBI Antimicrob Agents Chemother 52: 2709-17 (2008) The Rockefeller University 2D 3D TSV
18505286 3 Pyronane monoterpenoids from the fruit of Gardenia jasminoides.EBI J Nat Prod 71: 995-9 (2008) Chungnam National University 2D 3D TSV
18504132 51 7-aryl 1,5-dihydro-benzo[e][1,4]oxazepin-2-ones and analogs as non-steroidal progesterone receptor antagonists.EBI Bioorg Med Chem 16: 6589-600 (2008) Wyeth Research 2D 3D TSV
18502134 55 Inhibitory effects of a series of 7-substituted-indazoles toward nitric oxide synthases: particular potency of 1H-indazole-7-carbonitrile.EBI Bioorg Med Chem 16: 5962-73 (2008) Université de Versailles 2D 3D TSV
18502127 77 2,5-Diaminopyrimidines and 3,5-disubstituted azapurines as inhibitors of glycogen synthase kinase-3 (GSK-3).EBI Bioorg Med Chem Lett 18: 3578-81 (2008) Kemia, Inc. 2D 3D TSV
18502123 68 Development of potent and selective small-molecule human Urotensin-II antagonists.EBI Bioorg Med Chem Lett 18: 3500-3 (2008) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
18502121 31 Novel aryl and heteroaryl substituted N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamides as selective GSK-3 inhibitors.EBI Bioorg Med Chem Lett 18: 3661-6 (2008) Chemical Diversity Research Institute 2D 3D TSV
18501615 2 A peptoid antagonist of VEGF receptor 2 recognizes a 'hotspot' in the extracellular domain distinct from the hormone-binding site.EBI Bioorg Med Chem 16: 6338-43 (2008) University of Texas Southwestern Medical Center 2D 3D TSV
18501614 367 Structure-activity relationships of a peptide inhibitor of the human FcRn:human IgG interaction.EBI Bioorg Med Chem 16: 6394-405 (2008) Syntonix Pharmaceuticals, Inc. 2D 3D TSV
18501613 31 Discovery of potent furan piperazine sodium channel blockers for treatment of neuropathic pain.EBI Bioorg Med Chem 16: 6379-86 (2008) Abbott Laboratories 2D 3D TSV
18501603 48 IRAK-4 inhibitors. Part III: a series of imidazo[1,2-a]pyridines.EBI Bioorg Med Chem Lett 18: 3656-60 (2008) UCB 2D 3D TSV
18501602 32 Synthesis and structure-activity relationship of aminopyrimidine IKK2 inhibitors.EBI Bioorg Med Chem Lett 18: 3622-7 (2008) UCB 2D 3D TSV
18501601 1 Design and synthesis of novel furoquinoline based inhibitors of multiple targets in the PI3K/Akt-mTOR pathway.EBI Bioorg Med Chem Lett 18: 3603-6 (2008) Nicholas Piramal Research Centre 2D 3D TSV
18501600 33 Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols.EBI Bioorg Med Chem Lett 18: 3593-6 (2008) Universit£ degli Studi di Firenze 2D 3D TSV
18501599 41 Lead identification to generate isoquinolinedione inhibitors of insulin-like growth factor receptor (IGF-1R) for potential use in cancer treatment.BDB Bioorg Med Chem Lett 18: 3641-5 (2008) Wyeth Research 2D 3D TSV
18501598 26 Analogues of N-hydroxy-N'-phenylthiourea and N-hydroxy-N'-phenylurea as inhibitors of tyrosinase and melanin formation.EBI Bioorg Med Chem Lett 18: 3607-10 (2008) Mayoly Spindler S.A. 2D 3D TSV
18500794 25 Discovery of novel small-molecule inhibitors of human epidermal growth factor receptor-2: combined ligand and target-based approach.EBI J Med Chem 51: 3367-77 (2008) University of Southern California 2D 3D TSV
18499462 1 Design, synthesis and spectroscopic studies of resveratrol aliphatic acid ligands of human serum albumin.EBI Bioorg Med Chem 16: 6406-14 (2008) East Tennessee State University 2D 3D TSV
18499454 28 Design and synthesis of 2-pyridones as novel inhibitors of the Bacillus anthracis enoyl-ACP reductase.EBI Bioorg Med Chem Lett 18: 3565-9 (2008) University of Illinois at Chicago 2D 3D TSV
18499453 8 Design, synthesis, and evaluation of inhibitors of cathepsin L: Exploiting a unique thiocarbazate chemotype.EBI Bioorg Med Chem Lett 18: 3646-51 (2008) University of Pennsylvania 2D 3D TSV
18499305 11 1,4-Diazepanes derived from (S)-serine--homopiperazines with improved sigma(1) (sigma) receptor affinity and selectivity.EBI Eur J Med Chem 44: 519-25 (2009) Institut für Pharmazeutische und Medizinische Chemie 2D 3D TSV
18495479 25 Structure-based optimization of a potent class of arylamide FMS inhibitors.EBI Bioorg Med Chem Lett 18: 3632-7 (2008) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
18494463 106 A series of potent and selective, triazolylphenyl-based histone deacetylases inhibitors with activity against pancreatic cancer cells and Plasmodium falciparum.BDB J Med Chem 51: 3437-48 (2008) University of Illinois at Chicago 2D 3D TSV
18494457 160 4-(Phenylaminomethylene)isoquinoline-1,3(2H,4H)-diones as potent and selective inhibitors of the cyclin-dependent kinase 4 (CDK4).EBI J Med Chem 51: 3507-25 (2008) Wyeth Research 2D 3D TSV
18494455 6 Identification of MMP-12 inhibitors by using biosensor-based screening of a fragment library.EBI J Med Chem 51: 3449-59 (2008) Uppsala University 2D 3D TSV
18494454 5 Development of paramagnetic probes for molecular recognition studies in protein kinases.EBI J Med Chem 51: 3460-5 (2008) Institute for Medical Research 2D 3D TSV
18492610 9 Synthesis, induced-fit docking investigations, and in vitro aldose reductase inhibitory activity of non-carboxylic acid containing 2,4-thiazolidinedione derivatives.EBI Bioorg Med Chem 16: 5840-52 (2008) Universit£ di Messina 2D 3D TSV
18490451 4 Biosynthesis and recycling of nicotinamide cofactors in mycobacterium tuberculosis. An essential role for NAD in nonreplicating bacilli.BDB J Biol Chem 283: 19329-41 (2008) National Institutes of Health 2D 3D TSV
18490170 3 High-throughput evaluation of relative cell permeability between peptoids and peptides.EBI Bioorg Med Chem 16: 5853-61 (2008) University of Texas Southwestern Medical Center 2D 3D TSV
18490168 32 Structure-activity study of endomorphin-2 analogs with C-terminal modifications by NMR spectroscopy and molecular modeling.EBI Bioorg Med Chem 16: 6415-22 (2008) Lanzhou University 2D 3D TSV
18490160 13 Discovery of N-[(3R,5R)-1-azabicyclo[3.2.1]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide as an agonist of the alpha7 nicotinic acetylcholine receptor: in vitro and in vivo activity.EBI Bioorg Med Chem Lett 18: 3611-5 (2008) Pfizer Inc. 2D 3D TSV
18487053 55 Synthesis and biological evaluation of a library of resveratrol analogues as inhibitors of COX-1, COX-2 and NF-kappaB.EBI Bioorg Med Chem 17: 1044-54 (2009) Purdue University 2D 3D TSV
18487050 36 Carbon-11 labeled indolylpropylamine analog as a new potential PET agent for imaging of the serotonin transporter.EBI Bioorg Med Chem 16: 6364-70 (2008) Hadassah-Hebrew University Hospital 2D 3D TSV
18487045 35 Substituted dipiperidine alcohols as potent CCR2 antagonists.EBI Bioorg Med Chem Lett 18: 3562-4 (2008) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
18487044 16 Pyrrolo[1,2-b]pyridazin-2-ones as potent inhibitors of HCV NS5B polymerase.BDB Bioorg Med Chem Lett 18: 3616-21 (2008) Anadys Pharmaceuticals 2D 3D TSV
18487043 64 Use of receptor chimeras to identify small molecules with high affinity for the dynorphin A binding domain of the kappa opioid receptor.EBI Bioorg Med Chem Lett 18: 3667-71 (2008) Adolor Corporation 2D 3D TSV
18486277 58 Synthesis and serotonin receptor activity of the arylpiperazine alkyl/propoxy derivatives of new azatricycloundecanes.EBI Eur J Med Chem 44: 152-64 (2008) Institute of Pharmacology of the Polish Academy of Sciences 2D 3D TSV
18485717 3 Lycoparins A-C, new alkaloids from Lycopodium casuarinoides inhibiting acetylcholinesterase.EBI Bioorg Med Chem 16: 6167-71 (2008) Hoshi University 2D 3D TSV
18485716 5 Evaluation of novel hyphodermin derivatives as glycogen phosphorylase a inhibitors.EBI Bioorg Med Chem 16: 6172-8 (2008) Griffith University 2D 3D TSV
18485715 29 Design and synthesis of 7-alkoxy-4-heteroarylamino-3-quinolinecarbonitriles as dual inhibitors of c-Src kinase and nitric oxide synthase.EBI Bioorg Med Chem 16: 5890-8 (2008) China Pharmaceutical University 2D 3D TSV
18485703 37 3,5-Dihydro-imidazo[4,5-d]pyridazin-4-ones: a class of potent DPP-4 inhibitors.EBI Bioorg Med Chem Lett 18: 3158-62 (2008) Boehringer Ingelheim Pharma GmbH& Co. KG 2D 3D TSV
18485702 31 Pyridine amides as potent and selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1.BDB Bioorg Med Chem Lett 18: 3168-72 (2008) Bristol-Myers Squibb Company 2D 3D TSV
18484710 10 Structure-based design of an organoruthenium phosphatidyl-inositol-3-kinase inhibitor reveals a switch governing lipid kinase potency and selectivity.BDB ACS Chem Biol 3: 305-16 (2008) University of Pennsylvania 2D 3D TSV
18482837 5 New PPARgamma ligands based on 2-hydroxy-1,4-naphthoquinone: computer-aided design, synthesis, and receptor-binding studies.EBI Bioorg Med Chem Lett 18: 3192-5 (2008) National Institute of Pharmaceutical Education and Research 2D 3D TSV
18482836 14 IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding.EBI Bioorg Med Chem Lett 18: 3291-5 (2008) UCB 2D 3D TSV
18479921 1 Identification of halosalicylamide derivatives as a novel class of allosteric inhibitors of HCV NS5B polymerase.EBI Bioorg Med Chem Lett 18: 3173-7 (2008) Abbott Laboratories 2D 3D TSV
18479920 68 Synthesis and SAR of potent and orally bioavailable tert-butylpyrrolidine archetype derived melanocortin subtype-4 receptor modulators.EBI Bioorg Med Chem Lett 18: 3242-7 (2008) Merck Research Laboratories 2D 3D TSV
18479916 24 Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors.EBI Bioorg Med Chem Lett 18: 3224-9 (2008) Bristol-Myers Squibb Research and Development 2D 3D TSV
18479914 52 Allosteric inhibitors of Akt1 and Akt2: a naphthyridinone with efficacy in an A2780 tumor xenograft model.EBI Bioorg Med Chem Lett 18: 3178-82 (2008) Merck Research Laboratories 2D 3D TSV
18479118 113 Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors.EBI J Med Chem 51: 3154-70 (2008) Universit£ di Siena 2D 3D TSV
18479116 8 Synthesis and evaluation of [2-(4-quinolyloxy)phenyl]methanone derivatives: novel selective inhibitors of transforming growth factor-beta kinase.EBI J Med Chem 51: 3326-9 (2008) KIRIN Pharma Co Ltd 2D 3D TSV
18477512 118 Design, synthesis, and evaluation of potential inhibitors of nitric oxide synthase.EBI Bioorg Med Chem 16: 6193-206 (2008) Instituto de Química Médica 2D 3D TSV
18477508 39 Discovery of [(3-bromo-7-cyano-2-naphthyl)(difluoro)methyl]phosphonic acid, a potent and orally active small molecule PTP1B inhibitor.EBI Bioorg Med Chem Lett 18: 3200-5 (2008) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
18477507 1 Effects of amide constituents from pepper on adipogenesis in 3T3-L1 cells.EBI Bioorg Med Chem Lett 18: 3272-7 (2008) Kyoto Pharmaceutical University 2D 3D TSV
18477506 7 Tetrahydro anthranilic acid as a surrogate for anthranilic acid: application to the discovery of potent niacin receptor agonists.EBI Bioorg Med Chem Lett 18: 3163-7 (2008) Merck Research Laboratories 2D 3D TSV
18474425 27 IRAK-4 inhibitors. Part 1: a series of amides.EBI Bioorg Med Chem Lett 18: 3211-4 (2008) UCB 2D 3D TSV
18473434 57 Novel inhibitors of the v-raf murine sarcoma viral oncogene homologue B1 (BRAF) based on a 2,6-disubstituted pyrazine scaffold.BDB J Med Chem 51: 3261-74 (2008) Cancer Research UK Centre for Cancer Therapeutics 2D 3D TSV
18472268 15 Synthesis, fluorine-18 radiolabeling, and in vitro characterization of 1-iodophenyl-N-methyl-N-fluoroalkyl-3-isoquinoline carboxamide derivatives as potential PET radioligands for imaging peripheral benzodiazepine receptor.EBI Bioorg Med Chem 16: 6145-55 (2008) Emory University 2D 3D TSV
18472187 12 Steroidal lactones as inhibitors of 17beta-hydroxysteroid dehydrogenase type 5: chemical synthesis, enzyme inhibitory activity, and assessment of estrogenic and androgenic activities.EBI Eur J Med Chem 44: 632-44 (2009) CHUL Research Center and University Laval 2D 3D TSV
18469809 41 A Cdc7 kinase inhibitor restricts initiation of DNA replication and has antitumor activity.EBI Nat Chem Biol 4: 357-65 (2008) Nerviano Medical Sciences Oncology 2D 3D TSV
18468907 64 Conformation-opioid activity relationships of bicyclic guanidines from 3D similarity analysis.EBI Bioorg Med Chem 16: 5932-8 (2008) Torrey Pines Institute for Molecular Studies 2D 3D TSV
18468904 48 High specific activity tritium-labeled N-(2-methoxybenzyl)-2,5-dimethoxy-4-iodophenethylamine (INBMeO): a high-affinity 5-HT2A receptor-selective agonist radioligand.EBI Bioorg Med Chem 16: 6116-23 (2008) Purdue University 2D 3D TSV
18468895 102 Studies on a series of milnacipran analogs containing a heteroaromatic group as potent norepinephrine and serotonin transporter inhibitors.EBI Bioorg Med Chem Lett 18: 3230-5 (2008) Neurocrine Bioscience, Inc. 2D 3D TSV
18468891 59 Identification of novel benzimidazole series of potent and selective ORL1 antagonists.EBI Bioorg Med Chem Lett 18: 3278-81 (2008) Banyu Tsukuba Research Institute 2D 3D TSV
18468890 69 Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors.EBI Bioorg Med Chem Lett 18: 3236-41 (2008) Schering-Plough Research Institute 2D 3D TSV
18468446 55 Synthesis, ligand-receptor modeling studies and pharmacological evaluation of novel 4-modified-2-aryl-1,2,4-triazolo[4,3-a]quinoxalin-1-one derivatives as potent and selective human A3 adenosine receptor antagonists.EBI Bioorg Med Chem 16: 6086-102 (2008) Universita' di Firenze 2D 3D TSV
18468445 26 Synthesis and in vitro evaluation of a library of modified endomorphin 1 peptides.EBI Bioorg Med Chem 16: 6286-96 (2008) University of Queensland 2D 3D TSV
18467109 21 Design, synthesis, and QSAR studies of novel lysine derives as amino-peptidase N/CD13 inhibitors.EBI Bioorg Med Chem 16: 5473-81 (2008) Shandong University 2D 3D TSV
18467108 26 Identification of non-lipid LPA3 antagonists by virtual screening.EBI Bioorg Med Chem 16: 6207-17 (2008) The University of Memphis 2D 3D TSV
18467107 39 Substituted benzyl-pyrimidines targeting thymidine monophosphate kinase of Mycobacterium tuberculosis: synthesis and in vitro anti-mycobacterial activity.EBI Bioorg Med Chem 16: 6075-85 (2008) CNRS 2D 3D TSV
18467105 71 Design, synthesis and biological evaluation of substituted pyrrolo[2,3-d]pyrimidines as multiple receptor tyrosine kinase inhibitors and antiangiogenic agents.EBI Bioorg Med Chem 16: 5514-28 (2008) Duquesne University 2D 3D TSV
18467104 13 Design and evaluation of a novel series of 2,3-oxidosqualene cyclase inhibitors with low systemic exposure, relationship between pharmacokinetic properties and ocular toxicity.EBI Bioorg Med Chem 16: 6218-32 (2008) Laboratoire GlaxoSmithKline 2D 3D TSV
18467103 18 'Hybrid' benzofuran-benzopyran congeners as rigid analogs of hallucinogenic phenethylamines.EBI Bioorg Med Chem 16: 6242-51 (2008) University of Wisconsin-La Crosse 2D 3D TSV
18462943 2 Evaluation of the amino acid binding site of Mycobacterium tuberculosis glutamine synthetase for drug discovery.EBI Bioorg Med Chem 16: 5501-13 (2008) Uppsala University 2D 3D TSV
18462938 12 Non-acidic pyrazole EP1 receptor antagonists with in vivo analgesic efficacy.EBI Bioorg Med Chem Lett 18: 3392-9 (2008) GlaxoSmithKline 2D 3D TSV
18462007 7 Selective inhibition of aromatase by a dihydroisocoumarin from Xyris pterygoblephara.EBI J Nat Prod 71: 1082-4 (2008) Universidade Federal de Minas Gerais 2D 3D TSV
18461922 1 A prodomain peptide of Plasmodium falciparum cysteine protease (falcipain-2) inhibits malaria parasite development.EBI J Med Chem 51: 3116-23 (2008) International Center for Genetic Engineering and Biotechnology 2D 3D TSV
18461921 65 Trifluoromethoxyl substituted phenylethylene diamines as high affinity sigma receptor ligands with potent anti-cocaine actions.EBI J Med Chem 51: 3322-5 (2008) University of Maryland 2D 3D TSV
18459760 13 Discovery of novel human histamine H4 receptor ligands by large-scale structure-based virtual screening.EBI J Med Chem 51: 3145-53 (2008) Gedeon Richter Plc 2D 3D TSV
18459759 9 Microsomal prostaglandin E2 synthase-1 (mPGES-1): a novel anti-inflammatory therapeutic target.EBI J Med Chem 51: 4059-67 (2008) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
18459732 2 Interaction of antagonists with calmodulin: insights from molecular dynamics simulations.EBI J Med Chem 51: 3081-93 (2008) Semmelweis University 2D 3D TSV
18459730 144 Novel 3-carboxamide-coumarins as potent and selective FXIIa inhibitors.BDB J Med Chem 51: 3077-80 (2008) University of Namur 2D 3D TSV
18458130 8 Chemical target validation studies of aminopeptidase in malaria parasites using alpha-aminoalkylphosphonate and phosphonopeptide inhibitors.EBI Antimicrob Agents Chemother 52: 3221-8 (2008) Trinity College 2D 3D TSV
18457948 53 Synthesis and in vitro antimycobacterial activity of B-ring modified diaryl ether InhA inhibitors.EBI Bioorg Med Chem Lett 18: 3029-33 (2008) Stony Brook University 2D 3D TSV
18457386 1 Prediction and identification of drug interactions with the human ATP-binding cassette transporter multidrug-resistance associated protein 2 (MRP2; ABCC2).EBI J Med Chem 51: 3275-87 (2008) Uppsala University 2D 3D TSV
18457385 41 Recent developments in fragment-based drug discovery.EBI J Med Chem 51: 3661-80 (2008) Astex Therapeutics Ltd. 2D 3D TSV
18457381 36 Second generation of hydroxyethylamine BACE-1 inhibitors: optimizing potency and oral bioavailability.BDB J Med Chem 51: 3313-7 (2008) GSK 2D 3D TSV
18456500 56 Preparation of piperazine derivatives as 5-HT7 receptor antagonists.EBI Bioorg Med Chem 16: 5405-12 (2008) Ewha Womans University 2D 3D TSV
18456494 19 Synthesis and structure based optimization of novel Akt inhibitors.BDB Bioorg Med Chem Lett 18: 3359-63 (2008) Pfizer 2D 3D TSV
18455407 125 Muscarinic antagonists with multiple stereocenters: Synthesis, affinity profile and functional activity of isomeric 1-methyl-2-(2,2-alkylaryl-1,3-oxathiolan-5-yl)pyrrolidine sulfoxide derivatives.EBI Bioorg Med Chem 16: 5490-500 (2008) Universit£ di Firenze 2D 3D TSV
18455394 34 The discovery of fused pyrrole carboxylic acids as novel, potent D-amino acid oxidase (DAO) inhibitors.EBI Bioorg Med Chem Lett 18: 3386-91 (2008) Merck Sharp & Dohme 2D 3D TSV
18454143 30 Gene expression signatures and small-molecule compounds link a protein kinase to Plasmodium falciparum motility.BDB Nat Chem Biol 4: 347-56 (2008) The Scripps Research Institute 2D 3D TSV
18448342 62 Support vector machines classification of hERG liabilities based on atom types.EBI Bioorg Med Chem 16: 6252-60 (2008) Hoffmann-La Roche 2D 3D TSV
18448340 27 Aminopyrazine CB1 receptor inverse agonists.EBI Bioorg Med Chem Lett 18: 3376-81 (2008) Neurogen Corporation 2D 3D TSV
18448338 3 Demonstration of direct binding of cIAP1 degradation-promoting bestatin analogs to BIR3 domain: Synthesis and application of fluorescent bestatin ester analogs.EBI Bioorg Med Chem Lett 18: 3354-8 (2008) The University of Tokyo 2D 3D TSV
18448337 31 Novel ORL1-selective antagonists with oral bioavailability and brain penetrability.EBI Bioorg Med Chem Lett 18: 3282-5 (2008) Banyu Tsukuba Research Institute 2D 3D TSV
18447380 28 Discovery of a novel, orally active himbacine-based thrombin receptor antagonist (SCH 530348) with potent antiplatelet activity.EBI J Med Chem 51: 3061-4 (2008) Schering-Plough Research Institute 2D 3D TSV
18447379 96 Discovery of aryl aminoquinazoline pyridones as potent, selective, and orally efficacious inhibitors of receptor tyrosine kinase c-Kit.EBI J Med Chem 51: 3065-8 (2008) Amgen Inc 2D 3D TSV
18445527 46 P2Y1 receptor antagonists as novel antithrombotic agents.EBI Bioorg Med Chem Lett 18: 3338-43 (2008) Pfizer Inc. 2D 3D TSV
18445525 141 Identification of 1S,2R-milnacipran analogs as potent norepinephrine and serotonin transporter inhibitors.EBI Bioorg Med Chem Lett 18: 3328-32 (2008) Neurocrine Bioscience, Inc. 2D 3D TSV
18443109 4 Changes in the plasmodial surface anion channel reduce leupeptin uptake and can confer drug resistance in Plasmodium falciparum-infected erythrocytes.EBI Antimicrob Agents Chemother 52: 2346-54 (2008) National Institute of Allergy and Infectious Diseases 2D 3D TSV
18442912 90 Discovery of a novel series of nonsteroidal androgen receptor modulators: 5- or 6-oxachrysen-2-ones.EBI Bioorg Med Chem Lett 18: 3431-5 (2008) Ligand Pharmaceuticals 2D 3D TSV
18442910 53 Potent and orally bioavailable zwitterion GnRH antagonists with low CYP3A4 inhibitory activity.EBI Bioorg Med Chem Lett 18: 3301-5 (2008) Neurocrine Biosciences, Inc. 2D 3D TSV
18442908 19 Design and synthesis of N-alkyl oxindolylidene acetic acids as a new class of potent Cdc25A inhibitors.EBI Bioorg Med Chem Lett 18: 3350-3 (2008) Doshisha Women's College of Liberal Arts 2D 3D TSV
18442906 40 Novel bis-(arylsulfonamide) hydroxamate-based selective MMP inhibitors.EBI Bioorg Med Chem Lett 18: 3333-7 (2008) North Dakota State University 2D 3D TSV
18442905 25 5-Aryluracils as potent GnRH antagonists-Characterization of atropisomers.EBI Bioorg Med Chem Lett 18: 3344-9 (2008) Neurocrine Biosciences, Inc. 2D 3D TSV
18440813 55 The SAR studies of novel CB2 selective agonists, benzimidazolone derivatives.EBI Bioorg Med Chem Lett 18: 3310-4 (2008) Pfizer Inc. 2D 3D TSV
18440812 113 Phenylcyclobutyl triazoles as selective inhibitors of 11beta-hydroxysteroid dehydrogenase type I.EBI Bioorg Med Chem Lett 18: 3412-6 (2008) Merck Research Laboratories 2D 3D TSV
18440811 207 4-Methyl-5-phenyl triazoles as selective inhibitors of 11beta-hydroxysteroid dehydrogenase type I.EBI Bioorg Med Chem Lett 18: 3405-11 (2008) Merck Research Laboratories 2D 3D TSV
18440232 38 Design, synthesis and evaluation of novel sulfonyl pyrrolidine derivatives as matrix metalloproteinase inhibitors.EBI Bioorg Med Chem 16: 5398-404 (2008) Shandong University 2D 3D TSV
18440229 175 2-Trifluoroacetylthiophenes, a novel series of potent and selective class II histone deacetylase inhibitors.BDB Bioorg Med Chem Lett 18: 3456-61 (2008) IRBM/Merck 2D 3D TSV
18440098 15 Substituted benzo[d]oxazol-2(3H)-one derivatives with preference for the sigma1 binding site.EBI Eur J Med Chem 44: 124-30 (2008) University of Trieste 2D 3D TSV
18438986 71 Structure-activity relationship studies on N'-aryl carbohydrazide P2X7 antagonists.EBI J Med Chem 51: 3030-4 (2008) Abbott Laboratories 2D 3D TSV
18438404 13 Activation of the endocannabinoid system by organophosphorus nerve agents.EBI Nat Chem Biol 4: 373-8 (2008) University of California 2D 3D TSV
18436444 3 Bis-tetrahydroisoquinoline derivatives: AG525E1, a new step in the search for non-quaternary non-peptidic small conductance Ca(2+)-activated K(+) channel blockers.EBI Bioorg Med Chem Lett 18: 3440-5 (2008) University of Li£ge 2D 3D TSV
18436348 68 Design, synthesis and AChE inhibitory activity of indanone and aurone derivatives.EBI Eur J Med Chem 44: 7-17 (2008) Zhejiang University 2D 3D TSV
18436346 28 Novel 2-aryl-naphtho[1,2-d]oxazole derivatives as potential PTP-1B inhibitors showing antihyperglycemic activities.EBI Eur J Med Chem 44: 109-16 (2008) Central Drug Research Institute 2D 3D TSV
18434170 25 Synthesis of 5-chloro-N-aryl-1H-indole-2-carboxamide derivatives as inhibitors of human liver glycogen phosphorylase a.BDB Bioorg Med Chem 16: 5452-64 (2008) Astellas Pharma Inc. 2D 3D TSV
18434164 42 Synthesis and receptor binding properties of 2beta-alkynyl and 2beta-(1,2,3-triazol)substituted 3beta-(substituted phenyl)tropane derivatives.EBI Bioorg Med Chem 16: 5529-35 (2008) Research Triangle Institute 2D 3D TSV
18434152 64 Synthesis, SAR, and X-ray structure of human BACE-1 inhibitors with cyclic urea derivatives.EBI Bioorg Med Chem Lett 18: 2900-4 (2008) LG Life Sciences 2D 3D TSV
18434151 2 Farnesyl pyrophosphate synthase enantiospecificity with a chiral risedronate analog, [6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl(hydroxy)methylene]bis(phosphonic acid) (NE-10501): Synthetic, structural, and modeling studies.EBI Bioorg Med Chem Lett 18: 2878-82 (2008) University of Southern California 2D 3D TSV
18434149 23 Reactive derivatives for affinity labeling in the ifenprodil site of NMDA receptors.EBI Bioorg Med Chem Lett 18: 2765-70 (2008) Universit£ Louis Pasteur de Strasbourg 2D 3D TSV
18434148 43 Synthesis and PKCtheta inhibitory activity of a series of 4-(indol-5-ylamino)thieno[2,3-b]pyridine-5-carbonitriles.EBI Bioorg Med Chem Lett 18: 2850-3 (2008) Wyeth Research 2D 3D TSV
18434147 35 Discovery of a novel submicromolar inhibitor of the lymphoid specific tyrosine phosphatase.EBI Bioorg Med Chem Lett 18: 2840-4 (2008) Columbia University 2D 3D TSV
18434146 28 Dual binding site inhibitors of B-RAF kinase.EBI Bioorg Med Chem Lett 18: 2825-9 (2008) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
18434145 56 Discovery of a novel and potent series of thieno[3,2-b]pyridine-based inhibitors of c-Met and VEGFR2 tyrosine kinases.BDB Bioorg Med Chem Lett 18: 2793-8 (2008) MethylGene Inc. 2D 3D TSV
18434143 96 Bis-aryl triazoles as selective inhibitors of 11beta-hydroxysteroid dehydrogenase type 1.EBI Bioorg Med Chem Lett 18: 2799-804 (2008) Merck& Co. 2D 3D TSV
18434142 30 Inhibitors of the tyrosine kinase EphB4. Part 1: Structure-based design and optimization of a series of 2,4-bis-anilinopyrimidines.BDB Bioorg Med Chem Lett 18: 2776-80 (2008) AstraZeneca 2D 3D TSV
18433114 28 4-benzyl-1H-imidazoles with oxazoline termini as histamine H3 receptor agonists.BDB J Med Chem 51: 2944-53 (2008) VU University Amsterdam 2D 3D TSV
18433113 124 Discovery of potent, orally bioavailable, selective 5-HT1A/B/D receptor antagonists.EBI J Med Chem 51: 2887-90 (2008) GlaxoSmithKline 2D 3D TSV
18430570 76 Sulfamoyl benzamides as novel CB2 cannabinoid receptor ligands.EBI Bioorg Med Chem Lett 18: 2830-5 (2008) Adolor Corporation 2D 3D TSV
18430569 26 Development of a fluorescence polarization based assay for histone deacetylase ligand discovery.EBI Bioorg Med Chem Lett 18: 2809-12 (2008) The Broad Institute of Harvard and MIT 2D 3D TSV
18426196 18 Discovery and optimization of triazolopyridazines as potent and selective inhibitors of the c-Met kinase.BDB J Med Chem 51: 2879-82 (2008) Amgen 2D 3D TSV
18424135 131 Design of (N)-methanocarba adenosine 5'-uronamides as species-independent A3 receptor-selective agonists.EBI Bioorg Med Chem Lett 18: 2813-9 (2008) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
18424134 114 New tetrazole-based selective anandamide uptake inhibitors.EBI Bioorg Med Chem Lett 18: 2820-4 (2008) Sapienza Universit£ di Roma 2D 3D TSV
18424044 32 Structure-activity relationships of anthranilamide-based factor Xa inhibitors containing piperidinone and pyridinone P4 moieties.EBI Bioorg Med Chem Lett 18: 2845-9 (2008) Bristol-Myers Squibb Research and Development 2D 3D TSV
18420409 4 2-Aminomethyl piperidines as novel urotensin-II receptor antagonists.EBI Bioorg Med Chem Lett 18: 2860-4 (2008) GlaxoSmithKline 2D 3D TSV
18420408 24 Orally efficacious thrombin inhibitors with cyanofluorophenylacetamide as the P2 motif.EBI Bioorg Med Chem Lett 18: 2865-70 (2008) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
18420406 8 Conformation-activity relationship on novel 4-pyridylmethylthio derivatives with antiangiogenic activity.EBI Bioorg Med Chem Lett 18: 2939-43 (2008) Santen Pharmaceutical Co. Ltd 2D 3D TSV
18420405 26 Discovery of trypanocidal thiosemicarbazone inhibitors of rhodesain and TbcatB.EBI Bioorg Med Chem Lett 18: 2883-5 (2008) University of California 2D 3D TSV
18419112 63 Non-peptide gonadotropin-releasing hormone receptor antagonists.EBI J Med Chem 51: 3331-48 (2008) Neurocrine Biosciences, Inc 2D 3D TSV
18419109 18 Benzofuran-based hybrid compounds for the inhibition of cholinesterase activity, beta amyloid aggregation, and abeta neurotoxicity.EBI J Med Chem 51: 2883-6 (2008) University of Bologna 2D 3D TSV
18419108 37 2-Amino-1,3-thiazol-4(5H)-ones as Potent and Selective 11beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitors: Enzyme-Ligand Co-Crystal Structure and Demonstration of Pharmacodynamic Effects in C57Bl/6 Mice.BDB J Med Chem 51: 2933-43 (2008) Biovitrum AB 2D 3D TSV
18417348 82 Pharmacological and pharmacokinetic characterization of 2-piperazine-alpha-isopropyl benzylamine derivatives as melanocortin-4 receptor antagonists.EBI Bioorg Med Chem 16: 5606-18 (2008) Neurocrine Biosciences, Inc. 2D 3D TSV
18417347 62 Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. Part 6: Opioid receptor binding properties of cyclic variants of 8-carboxamidocyclazocine.EBI Bioorg Med Chem 16: 5653-64 (2008) Rensselaer Polytechnic Institute 2D 3D TSV
18417344 6 Identification of acridinyl hydrazides as potent aspartic protease inhibitors.EBI Bioorg Med Chem Lett 18: 3011-5 (2008) University of Karachi 2D 3D TSV
18417343 62 Pyridyl-phenyl ether monoamine reuptake inhibitors: Impact of lipophilicity on dual SNRI pharmacology and off-target promiscuity.EBI Bioorg Med Chem Lett 18: 2896-9 (2008) Pfizer Inc. 2D 3D TSV
18416543 89 Aza-peptidyl Michael Acceptors. A New Class of Potent and Selective Inhibitors of Asparaginyl Endopeptidases (Legumains) from Evolutionarily Diverse Pathogens.BDB J Med Chem 51: 2816-32 (2008) Georgia Institute of Technology 2D 3D TSV
18412397 3 Alkaloids from the Australian rainforest tree Ochrosia moorei.EBI J Nat Prod 71: 1063-5 (2008) Griffith University 2D 3D TSV
18412395 3 Corymbones A and B, phloroglucinols with thyrotropin releasing hormone receptor 2 binding affinity from the flowers of Corymbia peltata.EBI J Nat Prod 71: 881-3 (2008) Griffith University 2D 3D TSV
18412327 9 Structural Origin of Selectivity in Class II-Selective Histone Deacetylase Inhibitors.BDB J Med Chem 51: 2898-906 (2008) University of Notre Dame 2D 3D TSV
18412326 16 Novel potent and selective thrombin inhibitors based on a central 1,4-benzoxazin-3(4H)-one scaffold.EBI J Med Chem 51: 2863-7 (2008) University of Ljubljana 2D 3D TSV
18412318 42 Design and synthesis of conformationally constrained glucagon-like peptide-1 derivatives with increased plasma stability and prolonged in vivo activity.EBI J Med Chem 51: 2758-65 (2008) Amgen, Inc. 2D 3D TSV
18412317 23 (3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(methyl(1-methyl-1H-1,2,4-triazol-5-yl)amino)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic Acid (BMS-644950): A Rationally Designed Orally Efficacious 3-Hydroxy-3-methylglutaryl Coenzyme-A Reductase Inhibitor with Reduced Myotoxicity Potential.BDB J Med Chem 51: 2722-33 (2008) Bristol-Myers Squibb Company 2D 3D TSV
18412316 52 Design and microwave-assisted synthesis of novel macrocyclic peptides active at melanocortin receptors: discovery of potent and selective hMC5R receptor antagonists.EBI J Med Chem 51: 2701-7 (2008) University of Arizona 2D 3D TSV
18411049 134 Antagonists of the human adenosine A2A receptor. Part 3: Design and synthesis of pyrazolo[3,4-d]pyrimidines, pyrrolo[2,3-d]pyrimidines and 6-arylpurines.EBI Bioorg Med Chem Lett 18: 2924-9 (2008) Vernalis (R&D) Ltd 2D 3D TSV
18410084 115 Ring size of somatostatin analogues (ODT-8) modulates receptor selectivity and binding affinity.EBI J Med Chem 51: 2668-75 (2008) Salk Institute 2D 3D TSV
18410083 30 Ring size in octreotide amide modulates differently agonist versus antagonist binding affinity and selectivity.EBI J Med Chem 51: 2676-81 (2008) Salk Institute 2D 3D TSV
18410082 50 Bioisosteric heterocyclic versions of 7-{[2-(4-phenyl-piperazin-1-yl)ethyl]propylamino}-5,6,7,8-tetrahydronaphthalen-2-ol: identification of highly potent and selective agonists for dopamine D3 receptor with potent in vivo activity.EBI J Med Chem 51: 3005-19 (2008) Wayne State University 2D 3D TSV
18410081 2 Identification of Plasmodium falciparum spermidine synthase active site binders through structure-based virtual screening.EBI J Med Chem 51: 2777-86 (2008) iNovacia AB 2D 3D TSV
18408714 25 Structural and biochemical evidence for a boat-like transition state in beta-mannosidases.BDB Nat Chem Biol 4: 306-12 (2008) The Medical School, Newcastle University 2D 3D TSV
18408713 2 Identification of RIP1 kinase as a specific cellular target of necrostatins.BDB Nat Chem Biol 4: 313-21 (2008) Tufts University 2D 3D TSV
18407692 6 Spongian diterpenes with thyrotropin releasing hormone receptor 2 binding affinity from Spongia sp.EBI J Nat Prod 71: 884-6 (2008) Griffith University 2D 3D TSV
18407496 127 Antagonists of the human adenosine A2A receptor. Part 2: Design and synthesis of 4-arylthieno[3,2-d]pyrimidine derivatives.EBI Bioorg Med Chem Lett 18: 2920-3 (2008) Vernalis (R&D) Ltd 2D 3D TSV
18406614 56 Antagonists of the human adenosine A2A receptor. Part 1: Discovery and synthesis of thieno[3,2-d]pyrimidine-4-methanone derivatives.EBI Bioorg Med Chem Lett 18: 2916-9 (2008) Vernalis (R&D) Ltd 2D 3D TSV
18406613 10 N-Acetylhexosaminidase inhibitory properties of C-1 homologated GlcNAc- and GalNAc-thiazolines.EBI Bioorg Med Chem Lett 18: 2944-7 (2008) The State University of New Jersey 2D 3D TSV
18406497 66 Indanesulfonamides as carbonic anhydrase inhibitors and anticonvulsant agents: structure-activity relationship and pharmacological evaluation.EBI Eur J Med Chem 43: 2853-60 (2008) University of Namur 2D 3D TSV
18406135 22 Design and synthesis of tacrine-ferulic acid hybrids as multi-potent anti-Alzheimer drug candidates.EBI Bioorg Med Chem Lett 18: 2905-9 (2008) Friedrich-Schiller-Universit£t Jena 2D 3D TSV
18406014 16 Conformationally constrained analogues of N'-(4-tert-butylbenzyl)-N-(4-methylsulfonylaminobenzyl)thiourea as TRPV1 antagonists.EBI Eur J Med Chem 44: 322-31 (2008) Seoul National University 2D 3D TSV
18403056 8 Ligand binding to nucleic acids and proteins: Does selectivity increase with strength?EBI Eur J Med Chem 43: 2307-15 (2008) Universit£t des Saarlandes 2D 3D TSV
18400502 18 Synthesis and activity of tetrapeptidic HTLV-I protease inhibitors possessing different P3-cap moieties.EBI Bioorg Med Chem 16: 5795-802 (2008) Kyoto Pharmaceutical University 2D 3D TSV
18400499 53 Selective androgen receptor modulators based on a series of 7H-[1,4]oxazino[3,2-g]quinolin-7-ones with improved in vivo activity.EBI Bioorg Med Chem Lett 18: 2967-71 (2008) Ligand Pharmaceuticals 2D 3D TSV
18400496 112 Novel 2-imidazoles as potent and selective alpha1A adrenoceptor partial agonists.EBI Bioorg Med Chem Lett 18: 2930-4 (2008) Pfizer Inc. 2D 3D TSV
18400337 17 10H-Phenothiazines: a new class of enzyme inhibitors for inflammatory diseases.EBI Eur J Med Chem 44: 197-202 (2008) Institute of Chemical Technology 2D 3D TSV
18400336 4 1,2,3-Triazol-carboxanilides and 1,2,3-triazol-(N-benzyl)-carboxamides as BK-potassium channel activators. XII.EBI Eur J Med Chem 43: 2618-26 (2008) Universit£ di Pisa 2D 3D TSV
18400335 39 A novel quantitative structure-activity relationship method to predict the affinities of MT3 melatonin binding site.EBI Eur J Med Chem 43: 2861-9 (2008) Lanzhou University 2D 3D TSV
18397826 18 Evaluation of antiangiogenic activity of azumamides by the in vitro vascular organization model using mouse induced pluripotent stem (iPS) cells.EBI Bioorg Med Chem Lett 18: 2982-4 (2008) Waseda University 2D 3D TSV
18396405 7 Podophyllotoxin directly binds a hinge domain in E2 of HPV and inhibits an E2/E7 interaction in vitro.EBI Bioorg Med Chem 16: 5815-25 (2008) Tokyo University of Science 2D 3D TSV
18396356 13 Design and synthesis of calpain inhibitory 6-pyridone 2-carboxamide derivatives.EBI Eur J Med Chem 44: 1331-4 (2009) Kyung Hee University 2D 3D TSV
18396354 29 Design, synthesis, and evaluation of benzophenone derivatives as novel acetylcholinesterase inhibitors.EBI Eur J Med Chem 44: 1341-8 (2009) University of Bologna 2D 3D TSV
18396051 22 Thioxophosphoranyl aryl- and heteroaryloxiranes as the representants of a new class of metallocarboxypeptidase inhibitors.EBI Bioorg Med Chem 16: 4823-8 (2008) Universitat Autònoma de Barcelona 2D 3D TSV
18396041 44 Molecular features crucial to the activity of pyrimidine benzamide-based thrombopoietin receptor agonists.EBI Bioorg Med Chem Lett 18: 3000-6 (2008) Pfizer Inc. 2D 3D TSV
18395443 37 Discovery and preclinical studies of 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (BMS-645737), an in vivo active potent VEGFR-2 inhibitor.EBI Bioorg Med Chem Lett 18: 2985-9 (2008) Bristol-Myers Squibb 2D 3D TSV
18395442 5 Diphenidol-related diamines as novel muscarinic M4 receptor antagonists.EBI Bioorg Med Chem Lett 18: 2972-6 (2008) University of Bologna 2D 3D TSV
18395300 1 Synthesis and biological evaluation of aminomethylphenol derivatives as inhibitors of the murine GABA transporters mGAT1-mGAT4.EBI Eur J Med Chem 43: 2404-11 (2008) Ludwig-Maximilians-Universität München 2D 3D TSV
18394907 23 Effects of modifications of the linker in a series of phenylpropanoic acid derivatives: Synthesis, evaluation as PPARalpha/gamma dual agonists, and X-ray crystallographic studies.BDB Bioorg Med Chem 16: 4883-907 (2008) Pfizer 2D 3D TSV
18394906 56 Synthesis of glutamic acid analogs as potent inhibitors of leukotriene A4 hydrolase.BDB Bioorg Med Chem 16: 4963-83 (2008) Berlex Biosciences 2D 3D TSV
18394887 37 5-Sulfonyl-benzimidazoles as selective CB2 agonists.EBI Bioorg Med Chem Lett 18: 2574-9 (2008) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
18394884 33 Small molecules with structural similarities to siderophores as novel antimicrobials against Mycobacterium tuberculosis and Yersinia pestis.EBI Bioorg Med Chem Lett 18: 2662-8 (2008) Weill Medical College of Cornell University 2D 3D TSV
18393489 11 Synthesis of indoleamine 2,3-dioxygenase inhibitory analogues of the sponge alkaloid exiguamine a.BDB J Med Chem 51: 2634-7 (2008) University of British Columbia 2D 3D TSV
18393409 16 Synthesis and pharmacological evaluations of sildenafil analogues for treatment of erectile dysfunction.EBI J Med Chem 51: 2807-15 (2008) State University of Campinas 2D 3D TSV
18393405 1 Natural products, small molecules, and genetics in tuberculosis drug development.EBI J Med Chem 51: 2606-12 (2008) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
18393402 2 Natural products as leads to potential drugs: an old process or the new hope for drug discovery?EBI J Med Chem 51: 2589-99 (2008) National Cancer Institute-Frederick 2D 3D TSV
18393401 70 Design and Synthesis of 2- and 3-Substituted-3-phenylpropyl Analogs of 1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine and 1-[2-(Diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine: Role of Amino, Fluoro, Hydroxyl, Methoxyl, Methyl, Methylene, and Oxo Substituents on Affinity fBDB J Med Chem 51: 2795-806 (2008) National Taiwan University 2D 3D TSV
18391212 4 Identification of a potent synthetic FXR agonist with an unexpected mode of binding and activation.BDB Proc Natl Acad Sci U S A 105: 5337-42 (2008) Merck Research Laboratories 2D 3D TSV
18387804 18 Design, synthesis and trypanocidal activity of lead compounds based on inhibitors of parasite glycolysis.EBI Bioorg Med Chem 16: 5050-61 (2008) University of Edinburgh 2D 3D TSV
18387304 4 Structure-based discovery of a novel non-peptidic small molecular inhibitor of caspase-3.EBI Bioorg Med Chem 16: 4854-9 (2008) Tokyo University of Science 2D 3D TSV
18387300 90 Design and synthesis of morpholine derivatives. SAR for dual serotonin & noradrenaline reuptake inhibition.BDB Bioorg Med Chem Lett 18: 2562-6 (2008) Pfizer Global Research and Development 2D 3D TSV
18386885 52 Design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists.EBI J Med Chem 51: 2744-57 (2008) Amgen, Inc. 2D 3D TSV
18381239 1 Synthesis and biological evaluation of histone deacetylase inhibitors that are based on FR235222: a cyclic tetrapeptide scaffold.EBI Bioorg Med Chem Lett 18: 2549-54 (2008) San Diego State University 2D 3D TSV
18381238 4 Novel uracil-based 2-aminoanilide and 2-aminoanilide-like derivatives: histone deacetylase inhibition and in-cell activities.EBI Bioorg Med Chem Lett 18: 2530-5 (2008) Sapienza Universit£ di Roma 2D 3D TSV
18380425 90 Herkinorin analogues with differential beta-arrestin-2 interactions.EBI J Med Chem 51: 2421-31 (2008) The University of Iowa 2D 3D TSV
18378717 4 In vivo efficacy of beta-cyclodextrin derivatives against anthrax lethal toxin.EBI Antimicrob Agents Chemother 52: 2239-41 (2008) National Institute of Allergy and Infectious Diseases 2D 3D TSV
18378462 5 Recent advances in selective alpha1-adrenoreceptor antagonists as antihypertensive agents.EBI Bioorg Med Chem 16: 4759-800 (2008) Sinhgad College of Pharmacy 2D 3D TSV
18378452 64 Synthesis and characterization of 5,6,7,8-tetrahydroquinoline C5a receptor antagonists.EBI Bioorg Med Chem Lett 18: 2544-8 (2008) Johnson& Johnson PRD 2D 3D TSV
18378451 13 Design and campaign synthesis of pyridine-based histone deacetylase inhibitors.BDB Bioorg Med Chem Lett 18: 2525-9 (2008) AstraZeneca 2D 3D TSV
18378449 12 Design and campaign synthesis of piperidine- and thiazole-based histone deacetylase inhibitors.BDB Bioorg Med Chem Lett 18: 2580-4 (2008) AstraZeneca 2D 3D TSV
18378447 2 Discovery of a novel indole series of EP1 receptor antagonists by scaffold hopping.EBI Bioorg Med Chem Lett 18: 2684-90 (2008) GlaxoSmithKline 2D 3D TSV
18378446 34 Tetrazole based amides as growth hormone secretagogues.EBI Bioorg Med Chem Lett 18: 2536-9 (2008) Bristol-Myers Squibb Research and Development 2D 3D TSV
18375120 45 New chemotypes for cathepsin K inhibitors.EBI Bioorg Med Chem Lett 18: 2599-603 (2008) Novartis Institutes for BioMedical Research 2D 3D TSV
18374572 100 Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for the indapamide-isozyme II adduct.BDB Bioorg Med Chem Lett 18: 2567-73 (2008) Universita degli Studi di Firenze 2D 3D TSV
18374570 8 Synthesis of 4'-modified noraristeromycins to clarify the effect of the 4'-hydroxyl groups for inhibitory activity against S-adenosyl-L-homocysteine hydrolase.EBI Bioorg Med Chem Lett 18: 2615-8 (2008) Gifu University 2D 3D TSV
18374569 65 Synthesis and characterization of 1,3-dihydro-benzo[b][1,4]diazepin-2-one derivatives: Part 3. New potent non-competitive metabotropic glutamate receptor 2/3 antagonists.EBI Bioorg Med Chem Lett 18: 2725-9 (2008) F. Hoffmann-La Roche Ltd. 2D 3D TSV
18374568 14 Pyrano-[2,3b]-pyridines as potassium channel antagonists.EBI Bioorg Med Chem Lett 18: 2714-8 (2008) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
18374567 24 Synthesis of small molecule inhibitors of the orphan nuclear receptor steroidogenic factor-1 (NR5A1) based on isoquinolinone scaffolds.BDB Bioorg Med Chem Lett 18: 2628-32 (2008) Scripps Florida 2D 3D TSV
18374566 129 2-Arylbenzoxazoles as novel cholesteryl ester transfer protein inhibitors: optimization via array synthesis.EBI Bioorg Med Chem Lett 18: 2640-4 (2008) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
18373337 20 Isoxazolone based inhibitors of p38 MAP kinases.EBI J Med Chem 51: 2580-4 (2008) Eberhard Karls University of Tuebingen 2D 3D TSV
18372181 32 Design and synthesis of benzofuranic derivatives as new ligands at the melatonin-binding site MT3.EBI Bioorg Med Chem 16: 4954-62 (2008) Université de Lille 2D 3D TSV
18372175 45 PTP1B inhibitors: synthesis and evaluation of difluoro-methylenephosphonate bioisosteres on a sulfonamide scaffold.EBI Bioorg Med Chem Lett 18: 2719-24 (2008) Affymax, Inc. 2D 3D TSV
18372081 11 Design and synthesis of bisubstrate inhibitors of type 1 17beta-hydroxysteroid dehydrogenase: overview and perspectives.EBI Eur J Med Chem 43: 2298-306 (2008) CHUQ - Pavillon CHUL and Université Laval 2D 3D TSV
18370374 12 Blood-brain barrier penetration by two dermorphin tetrapeptide analogues: role of lipophilicity vs structural flexibility.EBI J Med Chem 51: 2571-4 (2008) Vrije Universiteit Brussel 2D 3D TSV
18370373 48 A novel series of potent and selective ketone histone deacetylase inhibitors with antitumor activity in vivo.BDB J Med Chem 51: 2350-3 (2008) IRBM/Merck 2D 3D TSV
18366176 7 Identification of promiscuous small molecule activators in high-throughput enzyme activation screens.EBI J Med Chem 51: 2346-9 (2008) University of Illinois 2D 3D TSV
18364258 1 Hymenoic acid, a novel specific inhibitor of human DNA polymerase lambda from a fungus of Hymenochaetaceae sp.EBI Bioorg Med Chem 16: 5115-22 (2008) Kobe-Gakuin University 2D 3D TSV
18364257 16 Ranking the selectivity of PubChem screening hits by activity-based protein profiling: MMP13 as a case study.EBI Bioorg Med Chem 17: 1101-8 (2009) The Scripps Research Institute 2D 3D TSV
18364256 33 Synthesis and SAR of new pyrrolo[2,1-f][1,2,4]triazines as potent p38 alpha MAP kinase inhibitors.EBI Bioorg Med Chem Lett 18: 2739-44 (2008) Bristol-Myers Squibb 2D 3D TSV
18363352 23 Identification of novel cannabinoid CB1 receptor antagonists by using virtual screening with a pharmacophore model.BDB J Med Chem 51: 2439-46 (2008) CNS Biological Research 2D 3D TSV
18363350 60 Cyclooxygenase-1-selective inhibitors are attractive candidates for analgesics that do not cause gastric damage. design and in vitro/in vivo evaluation of a benzamide-type cyclooxygenase-1 selective inhibitor.EBI J Med Chem 51: 2400-11 (2008) Okayama University Graduate School of Medicine 2D 3D TSV
18363349 53 Carbonic anhydrase-II inhibition. what are the true enzyme-inhibitory properties of the sulfamide cognate of topiramate?EBI J Med Chem 51: 2518-21 (2008) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
18362071 3 A molecular modeling study of the interaction of 2'-fluoro-substituted analogues of dUMP/FdUMP with thymidylate synthase.EBI Bioorg Med Chem Lett 18: 2701-8 (2008) Polish Academy of Sciences 2D 3D TSV
18362070 79 Scaffold oriented synthesis. Part 2: Design, synthesis and biological evaluation of pyrimido-diazepines as receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 18: 2691-5 (2008) Abbott Laboratories 2D 3D TSV
18362041 59 Design, synthesis and preliminary evaluation of novel pyrrolidine derivatives as matrix metalloproteinase inhibitors.EBI Eur J Med Chem 43: 2130-9 (2008) Shandong University 2D 3D TSV
18361484 61 (Phenylpiperazinyl-butyl)oxindoles as selective 5-HT7 receptor antagonists.EBI J Med Chem 51: 2522-32 (2008) EGIS Pharmaceuticals Plc 2D 3D TSV
18359633 2 Alkyne-quinuclidine derivatives as potent and selective muscarinic antagonists for the treatment of COPD.EBI Bioorg Med Chem Lett 18: 2675-8 (2008) UCB 2D 3D TSV
18359630 37 Identification of prostaglandin D2 receptor antagonists based on a tetrahydropyridoindole scaffold.EBI Bioorg Med Chem Lett 18: 2696-700 (2008) Merck Frosst Canada& Co. 2D 3D TSV
18359629 84 Carbonic anhydrase inhibitors: the X-ray crystal structure of ethoxzolamide complexed to human isoform II reveals the importance of thr200 and gln92 for obtaining tight-binding inhibitors.EBI Bioorg Med Chem Lett 18: 2669-74 (2008) Istituto di Biostrutture e Bioimmagini-CNR 2D 3D TSV
18359231 18 Effect of novel N-aryl sulfonamide substituted 3-morpholino arecoline derivatives as muscarinic receptor 1 agonists in Alzheimer's dementia models.EBI Bioorg Med Chem 16: 5157-63 (2008) University of Mysore 2D 3D TSV
18359227 68 N-pyridin-3-yl- and N-quinolin-3-yl-benzamides: modulators of human vanilloid receptor 1 (TRPV1).EBI Bioorg Med Chem Lett 18: 2730-4 (2008) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
18359226 50 Pyrazolo-pyrimidines: a novel heterocyclic scaffold for potent and selective p38 alpha inhibitors.EBI Bioorg Med Chem Lett 18: 2652-7 (2008) Bristol-Myers Squibb Research and Development 2D 3D TSV
18358729 31 High throughput screening of potentially selective MMP-13 exosite inhibitors utilizing a triple-helical FRET substrate.EBI Bioorg Med Chem 17: 990-1005 (2009) Florida Atlantic University 2D 3D TSV
18358720 44 Investigation of novel 7,8-disubstituted-5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-ones as potent Chk1 inhibitors.EBI Bioorg Med Chem Lett 18: 2311-5 (2008) Abbott Laboratories 2D 3D TSV
18358718 13 Discovery of novel PRL-3 inhibitors based on the structure-based virtual screening.EBI Bioorg Med Chem Lett 18: 2250-5 (2008) Sejong University 2D 3D TSV
18357995 3 Complex sesquiterpenoids with tyrosinase inhibitory activity from the leaves of Chloranthus tianmushanensis.EBI J Nat Prod 71: 877-80 (2008) Zhejiang University 2D 3D TSV
18357974 42 "Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits.EBI J Med Chem 51: 2481-91 (2008) Novartis Institutes for BioMedical Research 2D 3D TSV
18356045 3 N-Alkylated galanthamine derivatives: Potent acetylcholinesterase inhibitors from Leucojum aestivum.EBI Bioorg Med Chem Lett 18: 2263-6 (2008) Universitat de Barcelona 2D 3D TSV
18356044 3 Deconstructing cytisine: The syntheses of (+/-)-cyfusine and (+/-)-cyclopropylcyfusine, fused ring analogs of cytisine.EBI Bioorg Med Chem Lett 18: 2316-9 (2008) Pfizer Inc. 2D 3D TSV
18355729 12 Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.BDB Chem Biol 15: 295-301 (2008) University of Dundee 2D 3D TSV
18353655 4 Chemical and biological investigation of N-hydroxy-valdecoxib: An active metabolite of valdecoxib.EBI Bioorg Med Chem 16: 5322-30 (2008) Gedeon Richter Plc 2D 3D TSV
18353640 6 Investigations of the esterase, phosphatase, and sulfatase activities of the cytosolic mammalian carbonic anhydrase isoforms I, II, and XIII with 4-nitrophenyl esters as substrates.EBI Bioorg Med Chem Lett 18: 2267-71 (2008) Universita degli Studi di Firenze 2D 3D TSV
18353639 27 Diamine derivatives containing imidazolidinylidene propanedinitrile as a new class of histamine H3 receptor antagonists. Part I.EBI Bioorg Med Chem Lett 18: 2288-91 (2008) Kyowa Hakko Kogyo Co. Ltd 2D 3D TSV
18353638 71 Synthesis and biological evaluation of 3,5-diaminoindazoles as cyclin-dependent kinase inhibitors.EBI Bioorg Med Chem Lett 18: 2292-5 (2008) Keimyung University 2D 3D TSV
18348906 5 Synthesis, in vitro pharmacology, and pharmacokinetic profiles of 2-[1-amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-1-fluorocyclopropanecarboxylic acid and its 6-heptyl ester, a potent mGluR2 antagonist.EBI Bioorg Med Chem 16: 4359-66 (2008) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
18348515 44 epigenetic multiple ligands: mixed histone/protein methyltransferase, acetyltransferase, and class III deacetylase (sirtuin) inhibitors.EBI J Med Chem 51: 2279-90 (2008) Universit£ degli Studi di Roma La Sapienza 2D 3D TSV
18348514 16 New approach to measure protein binding based on a parallel artificial membrane assay and human serum albumin.EBI J Med Chem 51: 2009-17 (2008) Universitat de Barcelona 2D 3D TSV
18348513 19 Recent developments of carbonic anhydrase inhibitors as potential anticancer drugs.EBI J Med Chem 51: 3051-6 (2008) University of Namur 2D 3D TSV
18347114 56 Biological activities of novel gyrase inhibitors of the aminocoumarin class.EBI Antimicrob Agents Chemother 52: 1982-90 (2008) Universität Tübingen 2D 3D TSV
18346893 43 Pharmacophore identification of Raf-1 kinase inhibitors.EBI Bioorg Med Chem Lett 18: 2346-50 (2008) China Pharmaceutical University 2D 3D TSV
18346892 42 Structure-based design and synthesis of benzimidazole derivatives as dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 18: 2362-7 (2008) Takeda San Diego 2D 3D TSV
18345612 35 9-cyano-1-azapaullone (cazpaullone), a glycogen synthase kinase-3 (GSK-3) inhibitor activating pancreatic beta cell protection and replication.EBI J Med Chem 51: 2196-207 (2008) Technische Universit£t Braunschweig 2D 3D TSV
18345609 57 Identification of 4-(4-aminopiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidines as selective inhibitors of protein kinase B through fragment elaboration.EBI J Med Chem 51: 2147-57 (2008) The Institute of Cancer Research 2D 3D TSV
18344216 36 Constrained dansyl derivatives reveal bacterial specificity of highly conserved thymidylate synthases.BDB Chembiochem 9: 779-90 (2008) Università degli Studi di Modena e Reggio Emilia via Campi 183 2D 3D TSV
18343903 16 Peptidomimetic 2-cyanopyrrolidines as potent selective cathepsin L inhibitors.BDB J Enzyme Inhib Med Chem 23: 190-7 (2008) The M S University of Baroda 2D 3D TSV
18343673 39 Design, synthesis and pharmacological evaluation of hybrid molecules out of quinazolinimines and lipoic acid lead to highly potent and selective butyrylcholinesterase inhibitors with antioxidant properties.EBI Bioorg Med Chem 16: 4252-61 (2008) Friedrich-Schiller-Universität Jena 2D 3D TSV
18343671 8 Synthesis, SAR and in vitro evaluation of new cyclic Arg-Gly-Asp pseudopentapeptides containing a s-cis peptide bond as integrin alphavbeta3 and alphavbeta5 ligands.EBI Bioorg Med Chem 16: 4262-71 (2008) Department of Organic Chemistry Ugo Schiff University of Firenze via della Lastruccia 13 2D 3D TSV
18343126 57 Co-existence of alpha-glucosidase-inhibitory and liver X receptor-regulatory activities and their separation by structural development.BDB Bioorg Med Chem 16: 4272-85 (2008) University of Tokyo 2D 3D TSV
18343125 9 Formation of fluorine-18 labeled diaryl ureas--labeled VEGFR-2/PDGFR dual inhibitors as molecular imaging agents for angiogenesis.EBI Bioorg Med Chem 16: 4242-51 (2008) Hadassah Hebrew University Hospital 2D 3D TSV
18343122 8 Inhibitors of DNA polymerase beta: activity and mechanism.EBI Bioorg Med Chem 16: 4331-40 (2008) University of Virginia 2D 3D TSV
18343121 2 Structure-based virtual screening against SARS-3CL(pro) to identify novel non-peptidic hits.BDB Bioorg Med Chem 16: 4138-49 (2008) University of Mississippi 2D 3D TSV
18343110 4 Sugar Chips immobilized with synthetic sulfated disaccharides of heparin/heparan sulfate partial structure.EBI Bioorg Med Chem Lett 18: 2499-504 (2008) Kagoshima University 2D 3D TSV
18343109 51 TIE-2/VEGF-R2 SAR and in vitro activity of C3-acyl dihydroindazolo[5,4-a]pyrrolo[3,4-c]carbazole analogs.EBI Bioorg Med Chem Lett 18: 2368-72 (2008) Cephalon, Inc. 2D 3D TSV
18343108 30 Synthesis of barbiturate-based methionine aminopeptidase-1 inhibitors.EBI Bioorg Med Chem Lett 18: 2373-6 (2008) North Dakota State University 2D 3D TSV
18343106 12 Beta-lactam congeners of orlistat as inhibitors of fatty acid synthase.BDB Bioorg Med Chem Lett 18: 2491-4 (2008) Texas A&M University 2D 3D TSV
18342518 6 Novel 5-azaindolocarbazoles as cytotoxic agents and Chk1 inhibitors.EBI Bioorg Med Chem 16: 5303-21 (2008) Université d'Orléans 2D 3D TSV
18342505 43 Design and synthesis of a pyrido[2,3-d]pyrimidin-5-one class of anti-inflammatory FMS inhibitors.EBI Bioorg Med Chem Lett 18: 2355-61 (2008) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
18342403 13 Rational design, synthesis and biological evaluation of new 1,5-diarylpyrazole derivatives as CB1 receptor antagonists, structurally related to rimonabant.EBI Eur J Med Chem 43: 2627-38 (2008) Università di Genova 2D 3D TSV
18342402 77 Synthesis, biological evaluation and docking studies of 4-amino substituted 1H-pyrazolo[3,4-d]pyrimidines.EBI Eur J Med Chem 43: 2665-76 (2008) Università degli Studi di Genova 2D 3D TSV
18341296 7 Diversity-oriented fluorescence library approach (DOFLA) to the discovery of chymotrypsin sensor.BDB J Comb Chem 10: 460-5 New York University 2D 3D TSV
18341273 16 Novel prostaglandin d synthase inhibitors generated by fragment-based drug design.BDB J Med Chem 51: 2178-86 (2008) AstraZeneca 2D 3D TSV
18341266 7 Lipoxygenase inhibiting and antioxidant iridoids from Buddleja crispa.BDB J Enzyme Inhib Med Chem 23: 140-3 (2008) Chinese Academy of Medical Sciences 2D 3D TSV
18341255 17 Mild and efficient synthesis of new tetraketones as lipoxygenase inhibitors and antioxidants.BDB J Enzyme Inhib Med Chem 23: 62-9 (2008) Pharmaceutical Research Centre 2D 3D TSV
18341250 16 In vitro inhibition of cytosolic carbonic anhydrases I and II by some new dihydroxycoumarin compounds.BDB J Enzyme Inhib Med Chem 23: 32-6 (2008) Balikesir University Science & Art Faculty 2D 3D TSV
18338843 57 Synthesis and pharmacological characterization at glutamate receptors of the four enantiopure isomers of tricholomic acid.EBI J Med Chem 51: 2311-5 (2008) Universit£ degli Studi di Milano 2D 3D TSV
18338841 1 Linezolid (ZYVOX), the first member of a completely new class of antibacterial agents for treatment of serious gram-positive infections.EBI J Med Chem 51: 1981-90 (2008) Pfizer Inc. 2D 3D TSV
18337104 7 Syntheses of 4,6'-epoxymorphinan derivatives and their pharmacologies.EBI Bioorg Med Chem 16: 4304-12 (2008) Kitasato University 2D 3D TSV
18337097 64 Lead identification of 2-iminobenzimidazole antagonists of the chemokine receptor CXCR3.EBI Bioorg Med Chem Lett 18: 2414-9 (2008) Abbott Bioresearch Center 2D 3D TSV
18337096 37 Tetrazole-biarylpyrazole derivatives as cannabinoid CB1 receptor antagonists.EBI Bioorg Med Chem Lett 18: 2385-9 (2008) reen Cross Corporation 2D 3D TSV
18337095 28 Aryl-indolyl maleimides as inhibitors of CaMKIIdelta. Part 3: Importance of the indole orientation.EBI Bioorg Med Chem Lett 18: 2399-403 (2008) Scios, Inc. 2D 3D TSV
18335976 33 Benzodioxoles: novel cannabinoid-1 receptor inverse agonists for the treatment of obesity.BDB J Med Chem 51: 2115-27 (2008) F. Hoffmann-La Roche Ltd. 2D 3D TSV
18335974 15 5-tert-butyl-N-pyrazol-4-yl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxamide derivatives as novel potent inhibitors of Mycobacterium tuberculosis pantothenate synthetase: initiating a quest for new antitubercular drugs.EBI J Med Chem 51: 1999-2002 (2008) University of Illinois at Chicago 2D 3D TSV
18334300 3 Expanding the repertoire of small molecule transcriptional activation domains.EBI Bioorg Med Chem 17: 1034-43 (2009) University of Michigan 2D 3D TSV
18334299 6 Tetramic and tetronic acids: an update on new derivatives and biological aspects.EBI Bioorg Med Chem 16: 4203-21 (2008) University of Bayreuth 2D 3D TSV
18334295 20 Aryl-indolyl maleimides as inhibitors of CaMKIIdelta. Part 2: SAR of the amine tether.EBI Bioorg Med Chem Lett 18: 2395-8 (2008) Scios, Inc. 2D 3D TSV
18334294 29 Aryl-indolyl maleimides as inhibitors of CaMKIIdelta. Part 1: SAR of the aryl region.EBI Bioorg Med Chem Lett 18: 2390-4 (2008) Scios, Inc. 2D 3D TSV
18334293 28 Pyrimidine-based inhibitors of CaMKIIdelta.EBI Bioorg Med Chem Lett 18: 2404-8 (2008) Scios, Inc. 2D 3D TSV
18333608 38 Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.EBI J Med Chem 51: 2502-11 (2008) University of California San Francisco 2D 3D TSV
18333607 4 Conformational analysis and receptor docking of N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide (taranabant, MK-0364), a novel, acyclic cannabinoid-1 receptor inverse agonist.EBI J Med Chem 51: 2108-14 (2008) Merck Research Laboratories 2D 3D TSV
18333606 29 Bis-(-)-nor-meptazinols as novel nanomolar cholinesterase inhibitors with high inhibitory potency on amyloid-beta aggregation.EBI J Med Chem 51: 2027-36 (2008) Fudan University 2D 3D TSV
18331795 44 Fluoroolefins as amide bond mimics in dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 18: 2409-13 (2008) Merck& Co. Inc. 2D 3D TSV
18331794 20 Selective cell adhesion inhibitors: Barbituric acid based alpha4beta7--MAdCAM inhibitors.EBI Bioorg Med Chem Lett 18: 2509-12 (2008) Millennium Pharmaceuticals 2D 3D TSV
18330993 4 The berkeleyamides, amides from the acid lake fungus Penicillum rubrum.EBI J Nat Prod 71: 856-60 (2008) Montana Tech of the University of Montana 2D 3D TSV
18330978 91 An updated steroid benchmark set and its application in the discovery of novel nanomolar ligands of sex hormone-binding globulin.EBI J Med Chem 51: 2047-56 (2008) University of British Columbia 2D 3D TSV
18329886 15 Internalisation of the mu-opioid receptor by endomorphin-1 and leu-enkephalin is dependant on aromatic amino acid residues.EBI Bioorg Med Chem 16: 4341-6 (2008) University of Queensland 2D 3D TSV
18329876 53 Sulfonamidolactam inhibitors of coagulation factor Xa.EBI Bioorg Med Chem Lett 18: 2428-33 (2008) Bristol-Myers Squibb Company 2D 3D TSV
18329752 14 Tryptophan-containing dipeptide derivatives as potent PPARgamma antagonists: design, synthesis, biological evaluation, and molecular modeling.EBI Eur J Med Chem 43: 2699-716 (2008) Graduate School of the Chinese Academy of Sciences 2D 3D TSV
18329751 40 Synthesis and evaluation of a series of benzopyran derivatives as PPAR alpha/gamma agonists.EBI Eur J Med Chem 43: 2428-35 (2008) Graduate School of the Chinese Academy of Sciences 2D 3D TSV
18329273 14 Novel inhibitors of 17beta-hydroxysteroid dehydrogenase type 1: templates for design.EBI Bioorg Med Chem 16: 4438-56 (2008) University of Bath 2D 3D TSV
18329269 77 Synthesis of N-pyrimidinyl-2-phenoxyacetamides as adenosine A2A receptor antagonists.EBI Bioorg Med Chem Lett 18: 1778-83 (2008) Neurocrine Biosciences 2D 3D TSV
18329268 2 Targeting gastrin-releasing peptide receptors of prostate cancer cells for photodynamic therapy with a phthalocyanine-bombesin conjugate.EBI Bioorg Med Chem Lett 18: 2424-7 (2008) Universit£ de Sherbrooke 2D 3D TSV
18329267 136 Identification of novel series of human CCR1 antagonists.EBI Bioorg Med Chem Lett 18: 2215-21 (2008) Tanabe Research Laboratories USA, Inc. 2D 3D TSV
18327899 106 Structure-activity relationships among the nitrogen containing bisphosphonates in clinical use and other analogues: time-dependent inhibition of human farnesyl pyrophosphate synthase.EBI J Med Chem 51: 2187-95 (2008) University of Oxford 2D 3D TSV
18326070 26 1-(1-Arylethylidene)thiosemicarbazide derivatives: a new class of tyrosinase inhibitors.EBI Bioorg Med Chem 16: 1096-102 (2008) Sun Yat-sen University 2D 3D TSV
18325768 12 The design and synthesis of novel alpha-ketoamide-based p38 MAP kinase inhibitors.EBI Bioorg Med Chem Lett 18: 1772-7 (2008) K£mia, Inc. 2D 3D TSV
18324926 6 Synthesis of water soluble bis-triazenoquinazolines: an unusual predicted mode of binding to the epidermal growth factor receptor tyrosine kinase.BDB Chem Biol Drug Des 71: 374-9 (2008) McGill University/Royal Victoria Hospital 2D 3D TSV
18324764 151 Pharmacophore modeling, quantitative structure-activity relationship analysis, and in silico screening reveal potent glycogen synthase kinase-3beta inhibitory activities for cimetidine, hydroxychloroquine, and gemifloxacin.EBI J Med Chem 51: 2062-77 (2008) University of Jordan 2D 3D TSV
18324762 20 Design, synthesis, and biological evaluation of (hydroxyphenyl)naphthalene and -quinoline derivatives: potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) for the treatment of estrogen-dependent diseases.EBI J Med Chem 51: 2158-69 (2008) Saarland University 2D 3D TSV
18324761 65 Naphthamides as novel and potent vascular endothelial growth factor receptor tyrosine kinase inhibitors: design, synthesis, and evaluation.EBI J Med Chem 51: 1649-67 (2008) Amgen Inc. 2D 3D TSV
18324760 34 Development of Potent and Selective Phosphinic Peptide Inhibitors of Angiotensin-Converting Enzyme 2.BDB J Med Chem 51: 2216-2226 (2008) University of Athens 2D 3D TSV
18324759 133 Evaluation of a series of naphthamides as potent, orally active vascular endothelial growth factor receptor-2 tyrosine kinase inhibitors.EBI J Med Chem 51: 1668-80 (2008) Amgen Inc. 2D 3D TSV
18321717 17 1-(2-Carboxyindol-5-yloxy)propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha: synthesis, biological activity, metabolic stability, and solubility.EBI Bioorg Med Chem 16: 3489-500 (2008) University of M£nster 2D 3D TSV
18321716 7 ATP competitive inhibitors of D-alanine-D-alanine ligase based on protein kinase inhibitor scaffolds.EBI Bioorg Med Chem 17: 1079-87 (2009) Institute of Molecular Physiology 2D 3D TSV
18321715 15 Synthesis of 1-/2-substituted-[1,2,3]triazolo[4,5-g]phthalazine-4,9-diones and evaluation of their cytotoxicity and topoisomerase II inhibition.EBI Bioorg Med Chem 16: 4545-50 (2008) Ewha Womans University 2D 3D TSV
18321713 9 Synthesis, checkpoint kinase 1 inhibitory properties and in vitro antiproliferative activities of new pyrrolocarbazoles.EBI Bioorg Med Chem 16: 4419-30 (2008) Universit£ Blaise Pascal 2D 3D TSV
18321611 64 CoMFA analysis of dual/multiple PPAR activators.EBI Eur J Med Chem 43: 2784-91 (2008) National Institute of Pharmaceutical Education and Research 2D 3D TSV
18321039 144 Discovery of a novel A2B adenosine receptor antagonist as a clinical candidate for chronic inflammatory airway diseases.EBI J Med Chem 51: 2267-78 (2008) CV Therapeutics Inc. 2D 3D TSV
18321038 85 Probing distal regions of the A2B adenosine receptor by quantitative structure-activity relationship modeling of known and novel agonists.EBI J Med Chem 51: 2088-99 (2008) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
18321037 129 Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.BDB J Med Chem 51: 1681-94 (2008) Amgen 2D 3D TSV
18318470 1 X-ray snapshot of the mechanism of inactivation of human neutrophil elastase by 1,2,5-thiadiazolidin-3-one 1,1-dioxide derivatives.EBI J Med Chem 51: 2003-8 (2008) Wichita State University 2D 3D TSV
18318469 75 Discovery of a New Class of Potent, Selective, and Orally Bioavailable CRTH2 (DP2) Receptor Antagonists for the Treatment of Allergic Inflammatory Diseases.BDB J Med Chem 51: 2227-2243 (2008) Merck Serono 2D 3D TSV
18318468 39 Design, synthesis, and biological evaluation of AT1 angiotensin II receptor antagonists based on the pyrazolo[3,4-b]pyridine and related heteroaromatic bicyclic systems.EBI J Med Chem 51: 2137-46 (2008) Universit£ di Siena 2D 3D TSV
18318467 9 Arginine binding motifs: design and synthesis of galactose-derived arginine tweezers as galectin-3 inhibitors.BDB J Med Chem 51: 2297-301 (2008) Lund University 2D 3D TSV
18318466 41 Indoleamine 2,3-dioxygenase is the anticancer target for a novel series of potent naphthoquinone-based inhibitors.BDB J Med Chem 51: 1706-18 (2008) Bryn Mawr College 2D 3D TSV
18318463 53 Design, synthesis, and SAR of new pyrrole-oxindole progesterone receptor modulators leading to 5-(7-fluoro-3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile (WAY-255348).EBI J Med Chem 51: 1861-73 (2008) Wyeth Research 2D 3D TSV
18316524 2 Biochemical characterization of SHV-55, an extended-spectrum class A beta-lactamase from Klebsiella pneumoniae.EBI Antimicrob Agents Chemother 52: 1897-8 (2008) TBA 2D 3D TSV
18316518 4 The Lys234Arg substitution in the enzyme SHV-72 is a determinant for resistance to clavulanic acid inhibition.EBI Antimicrob Agents Chemother 52: 1806-11 (2008) National Institute of Health Dr. Ricardo Jorge Av. Padre Cruz 2D 3D TSV
18316192 16 Structural insights into how irreversible inhibitors can overcome drug resistance in EGFR.BDB Bioorg Med Chem 16: 3482-8 (2008) Chemical Genomics Centre of the Max Planck Society 2D 3D TSV
18316187 29 Synthesis and biological activity of quinolinone and dihydroquinolinone p38 MAP kinase inhibitors.EBI Bioorg Med Chem Lett 18: 2222-6 (2008) Merck Research Laboratories 2D 3D TSV
18314943 27 Optimization of a Dihydropyrrolopyrazole Series of Transforming Growth Factor-beta Type I Receptor Kinase Domain Inhibitors: Discovery of an Orally Bioavailable Transforming Growth Factor-beta Receptor Type I Inhibitor as Antitumor Agent.BDB J Med Chem 51: 2302-2306 (2008) Lilly Research Laboratories 2D 3D TSV
18314331 70 Docking-based 3D-QSAR study for 11beta-HSD1 inhibitors.EBI Bioorg Med Chem Lett 18: 2479-90 (2008) Korea Research Institute of Chemical Technology 2D 3D TSV
18314330 4 Inhibitors of anthrax lethal factor based upon N-oleoyldopamine.EBI Bioorg Med Chem Lett 18: 2467-70 (2008) Purdue University 2D 3D TSV
18313933 18 Substrate optimization for monitoring cathepsin C activity in live cells.EBI Bioorg Med Chem 17: 1064-70 (2009) Genomics Institute of the Novartis Research Foundation (GNF) 2D 3D TSV
18313931 33 Synthesis and neuropharmacological characterization of 2-O-substituted apomorphines.EBI Bioorg Med Chem 16: 4563-8 (2008) University of Debrecen 2D 3D TSV
18313930 30 Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (2).EBI Bioorg Med Chem 16: 4699-714 (2008) Takeda Pharmaceutical Company, Ltd 2D 3D TSV
18313920 74 Novel trans-3,4-dimethyl-4-(3-hydroxyphenyl)piperidines as mu opioid receptor antagonists with improved opioid receptor selectivity profiles.BDB Bioorg Med Chem Lett 18: 2006-12 (2008) Adolor Corporation 2D 3D TSV
18313807 1 2,3-Disubstituted 8-arylamino-3H-imidazo[4,5-g]quinazolines: a novel class of antitumor agents.EBI Eur J Med Chem 44: 448-52 (2008) Zhejiang University 2D 3D TSV
18313804 6 Synthesis and aldose reductase inhibitory activity of some new chromonyl-2,4-thiazolidinediones.EBI Eur J Med Chem 43: 2412-7 (2008) Ankara University 2D 3D TSV
18313309 13 Degradation-promoters of cellular inhibitor of apoptosis protein 1 based on bestatin and actinonin.EBI Bioorg Med Chem 16: 4685-98 (2008) The University of Tokyo 2D 3D TSV
18313308 18 Catechin gallates are NADP+-competitive inhibitors of glucose-6-phosphate dehydrogenase and other enzymes that employ NADP+ as a coenzyme.EBI Bioorg Med Chem 16: 3580-6 (2008) AmorePacific Corporation 2D 3D TSV
18313305 2 Computational analysis of the binding affinities of the natural-product cyclopentapeptides argifin and argadin to chitinase B from Serratia marcescens.EBI Bioorg Med Chem 16: 3565-79 (2008) Kitasato University 2D 3D TSV
18313304 50 Discovery, synthesis and biological evaluation of isoquinolones as novel and highly selective JNK inhibitors (1).EBI Bioorg Med Chem 16: 4715-32 (2008) Takeda Pharmaceutical Company, Ltd 2D 3D TSV
18313303 10 A novel synthesis and pharmacological evaluation of a potential dopamine D1/D2 agonist: 1-propyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[g]quinoline-6,7-diol.EBI Bioorg Med Chem 16: 3438-44 (2008) University Centre for Pharmacy 2D 3D TSV
18313298 40 The discovery of (R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbamoyl)phenyl) thiazole-5-carboxamide (BMS-640994)-A potent and efficacious p38alpha MAP kinase inhibitor.EBI Bioorg Med Chem Lett 18: 1762-7 (2008) Bristol-Myers Squibb 2D 3D TSV
18313297 107 Potent antagonists of the CCR2b receptor. Part 3: SAR of the (R)-3-aminopyrrolidine series.EBI Bioorg Med Chem Lett 18: 1869-73 (2008) Deltagen Research Laboratories (Former CombiChem, Inc. 2D 3D TSV
18313294 68 [4-(Phenoxy)pyridin-3-yl]methylamines: a new class of selective noradrenaline reuptake inhibitors.EBI Bioorg Med Chem Lett 18: 1795-8 (2008) Pfizer Inc. 2D 3D TSV
18313293 26 Neutral 5-substituted 4-indazolylaminoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase.EBI Bioorg Med Chem Lett 18: 1799-803 (2008) Centre de Recherches 2D 3D TSV
18313174 26 Synthesis and biological evaluation of diversely substituted indolin-2-ones.EBI Eur J Med Chem 43: 2316-22 (2008) Université Blaise Pascal 2D 3D TSV
18311909 10 Synthesis of a potent and selective (18)F-labeled delta-opioid receptor antagonist derived from the Dmt-Tic pharmacophore for positron emission tomography imaging.EBI J Med Chem 51: 1817-23 (2008) Stanford University School of Medicine 2D 3D TSV
18311908 42 Characterization of Type II Ligands in CYP2C9 and CYP3A4.BDB J Med Chem 51: 1755-1763 (2008) AstraZeneca 2D 3D TSV
18311900 89 Novel 2,3-dihydro-1,4-benzoxazines as potent and orally bioavailable inhibitors of tumor-driven angiogenesis.EBI J Med Chem 51: 1695-705 (2008) Amgen Inc. 2D 3D TSV
18311899 26 Opioids and efflux transporters. Part 2: P-glycoprotein substrate activity of 3- and 6-substituted morphine analogs.BDB J Med Chem 51: 2316-20 (2008) University of Maryland 2D 3D TSV
18311898 12 Computer-aided discovery of anti-inflammatory thiazolidinones with dual cyclooxygenase/lipoxygenase inhibition.BDB J Med Chem 51: 1601-9 (2008) Aristotle University 2D 3D TSV
18311895 27 Development of prodrug 4-chloro-3-(5-methyl-3-{[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino}-1,2,4-benzotriazin-7-yl)phenyl benzoate (TG100801): a topically administered therapeutic candidate in clinical trials for the treatment of age-related macular degeneration.EBI J Med Chem 51: 1546-59 (2008) TargeGen Inc. 2D 3D TSV
18311894 107 Indol-3-yl-tetramethylcyclopropyl Ketones: Effects of Indole Ring Substitution on CB2 Cannabinoid Receptor Activity.BDB J Med Chem 51: 1904-12 (2008) Abbott Laboratories 2D 3D TSV
18308574 15 Pivaloyloxymethyl-modified isoprenoid bisphosphonates display enhanced inhibition of cellular geranylgeranylation.EBI Bioorg Med Chem 16: 3652-60 (2008) University of Iowa 2D 3D TSV
18308572 4 Novel azaphilones, kasanosins A and B, which are specific inhibitors of eukaryotic DNA polymerases beta and lambda from Talaromyces sp.EBI Bioorg Med Chem 16: 4594-9 (2008) Tokyo University of Science 2D 3D TSV
18308567 44 Carboxylic acid bioisosteres acylsulfonamides, acylsulfamides, and sulfonylureas as novel antagonists of the CXCR2 receptor.EBI Bioorg Med Chem Lett 18: 1926-30 (2008) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
18308565 70 Design and synthesis of dihydroindazolo[5,4-a]pyrrolo[3,4-c]carbazole oximes as potent dual inhibitors of TIE-2 and VEGF-R2 receptor tyrosine kinases.EBI Bioorg Med Chem Lett 18: 1916-21 (2008) Cephalon, Inc. 2D 3D TSV
18308563 39 Probing the elusive catalytic activity of vertebrate class IIa histone deacetylases.BDB Bioorg Med Chem Lett 18: 1814-9 (2008) IRBM/Merck 2D 3D TSV
18307303 75 Discovery of selective aminothiazole aurora kinase inhibitors.BDB ACS Chem Biol 3: 180-92 (2008) Novartis 2D