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19995674 17 P2'-truncated BACE-1 inhibitors with a novel hydroxethylene-like core.EBI Eur J Med Chem 45: 542-54 (2010) Stockholm University 2D 3D TSV
19994845 4 Synthesis and antiproliferative activity of 7-azaindirubin-3'-oxime, a 7-aza isostere of the natural indirubin pharmacophore.EBI J Nat Prod 72: 2199-202 (2009) University of Athens 2D 3D TSV
19969465 18 Enhancement of EGFR tyrosine kinase inhibition by C-C multiple bonds-containing anilinoquinazolines.EBI Bioorg Med Chem 18: 870-9 (2010) Gakushuin University 2D 3D TSV
19969464 56 Design, synthesis and primary activity assay of bi- or tri-peptide analogues with the scaffold l-arginine as amino-peptidase N/CD13 inhibitors.EBI Bioorg Med Chem 18: 887-95 (2010) Shandong University 2D 3D TSV
19969459 40 Continued exploration of the triazolopyridine scaffold as a platform for p38 MAP kinase inhibition.EBI Bioorg Med Chem Lett 20: 469-73 (2010) Pfizer Global Research and Development 2D 3D TSV
19969458 8 Evaluation of pyrrolin-2-one derivatives synthesized by a new practical method as inhibitors of plasminogen activator inhibitor-1 (PAI-1).EBI Bioorg Med Chem Lett 20: 546-8 (2010) Mitsubishi Tanabe Pharma Co., Ltd 2D 3D TSV
19969456 23 Structure-guided design of alpha-amino acid-derived Pin1 inhibitors.EBI Bioorg Med Chem Lett 20: 586-90 (2010) Vernalis (R&D) Ltd 2D 3D TSV
19969455 70 Novel purine and pyrazolo[3,4-d]pyrimidine inhibitors of PI3 kinase-alpha: Hit to lead studies.EBI Bioorg Med Chem Lett 20: 636-9 (2010) Wyeth Research 2D 3D TSV
19969454 7 Proposed structural basis of interaction of piperine and related compounds with monoamine oxidases.EBI Bioorg Med Chem Lett 20: 537-40 (2010) University of Cambridge 2D 3D TSV
19969453 73 Optimization of piperidyl-ureas as inhibitors of soluble epoxide hydrolase.EBI Bioorg Med Chem Lett 20: 571-5 (2010) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
19969452 112 Sulfonylureido thiazoles as fructose-1,6-bisphosphatase inhibitors for the treatment of type-2 diabetes.EBI Bioorg Med Chem Lett 20: 594-9 (2010) F. Hoffmann-La Roche Ltd 2D 3D TSV
19969400 4 5-Substituted [1]pyrindine derivatives with antiproliferative activity.EBI Eur J Med Chem 45: 896-901 (2010) INSERM 2D 3D TSV
19968566 40 3D-QSAR, molecular docking studies, and binding mode prediction of thiolactomycin analogs as mtFabH inhibitors.BDB J Enzyme Inhib Med Chem 25: 240-9 (2010) China Pharmaceutical University 2D 3D TSV
19968289 201 Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors.EBI J Med Chem 53: 1146-58 (2010) Wyeth Research 2D 3D TSV
19968288 83 Lead optimization of N-3-substituted 7-morpholinotriazolopyrimidines as dual phosphoinositide 3-kinase/mammalian target of rapamycin inhibitors: discovery of PKI-402.EBI J Med Chem 53: 798-810 (2010) Wyeth Research 2D 3D TSV
19966789 40 Reduced histone deacetylase 7 activity restores function to misfolded CFTR in cystic fibrosis.EBI Nat Chem Biol 6: 25-33 (2009) The Scripps Research Institute 2D 3D TSV
19963390 20 Inhibitors of human tyrosyl-DNA phospodiesterase (hTdp1) developed by virtual screening using ligand-based pharmacophores.EBI Bioorg Med Chem 18: 182-9 (2010) National Cancer Institute 2D 3D TSV
19963384 26 Discovery of 3,6-dihydro-2H-pyran as a morpholine replacement in 6-aryl-1H-pyrazolo[3,4-d]pyrimidines and 2-arylthieno[3,2-d]pyrimidines: ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).EBI Bioorg Med Chem Lett 20: 640-3 (2010) Wyeth Research 2D 3D TSV
19963381 18 Potent and selective neuronal nitric oxide synthase inhibitors with improved cellular permeability.EBI Bioorg Med Chem Lett 20: 554-7 (2010) Northwestern University 2D 3D TSV
19963380 38 Synthetic studies and pharmacological evaluations on the MDMA ('Ecstasy') antagonist nantenine.EBI Bioorg Med Chem Lett 20: 628-31 (2010) Hunter College and the Graduate Center of the City University of New York 2D 3D TSV
19963378 11 Synthesis and pharmacological characterization of constrained analogues of Vestipitant as in vitro potent and orally active NK(1) receptor antagonists.EBI Bioorg Med Chem Lett 20: 623-7 (2010) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
19963375 30 Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application.EBI Bioorg Med Chem Lett 20: 603-7 (2010) Novartis Institutes for BioMedicalResearch 2D 3D TSV
19963374 68 Triazole oxytocin antagonists: Identification of an aryloxyazetidine replacement for a biaryl substituent.EBI Bioorg Med Chem Lett 20: 516-20 (2010) Pfizer Global Research and Development 2D 3D TSV
19962901 2 Synthesis, pharmacological studies and molecular modeling of some tetracyclic 1,3-diazepinium chlorides.EBI Bioorg Med Chem 18: 909-21 (2010) University of the West Indies 2D 3D TSV
19962893 3 The comparative antimalarial properties of weak base and neutral synthetic ozonides.EBI Bioorg Med Chem Lett 20: 563-6 (2010) University of Nebraska Medical Center 2D 3D TSV
19962892 48 Quinoline-3-carboxamide containing sulfones as liver X receptor (LXR) agonists with binding selectivity for LXRbeta and low blood-brain penetration.EBI Bioorg Med Chem Lett 20: 689-93 (2010) Wyeth Pharmaceuticals 2D 3D TSV
19962796 64 3D QSAR studies on ketoamides of human cathepsin K inhibitors based on two different alignment methods.EBI Eur J Med Chem 45: 667-81 (2010) Chinese Academy of Sciences 2D 3D TSV
19962793 14 Synthesis and biological evaluation of [1,2,4]triazino[4,3-a] benzimidazole acetic acid derivatives as selective aldose reductase inhibitors.EBI Eur J Med Chem 45: 909-14 (2010) Institute of Pharmaceutical Sciences 2D 3D TSV
19962319 14 Application of a novel [3+2] cycloaddition reaction to prepare substituted imidazoles and their use in the design of potent DFG-out allosteric B-Raf inhibitors.EBI Bioorg Med Chem 18: 292-304 (2010) The University of Arizona 2D 3D TSV
19962305 2 Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology.EBI Bioorg Med Chem Lett 20: 121-4 (2010) Kitasato University 2D 3D TSV
19959367 10 Synthesis of 3-[(N-carboalkoxy)ethylamino]-indazole-dione derivatives and their biological activities on human liver carbonyl reductase.EBI Bioorg Med Chem 18: 134-41 (2010) Howard University 2D 3D TSV
19959361 2 Novel enoyl-ACP reductase (FabI) potential inhibitors of Escherichia coli from Chinese medicine monomers.EBI Bioorg Med Chem Lett 20: 56-9 (2010) Huazhong Agricultural University 2D 3D TSV
19959360 50 SAR of N-phenyl piperidine based oral integrin alpha5beta1 antagonists.EBI Bioorg Med Chem Lett 20: 65-8 (2010) Jerini AG 2D 3D TSV
19959359 46 Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors.EBI Bioorg Med Chem Lett 20: 632-5 (2010) Wyeth Research 2D 3D TSV
19959358 57 Optimization of orally bioavailable alkyl amine renin inhibitors.EBI Bioorg Med Chem Lett 20: 694-9 (2010) Vitae Pharmaceuticals 2D 3D TSV
19957998 8 Enhancing the intestinal absorption of molecules containing the polar guanidino functionality: a double-targeted prodrug approach.EBI J Med Chem 53: 624-32 (2010) University of Michigan 2D 3D TSV
19957931 66 Novel ester and acid derivatives of the 1,5-diarylpyrrole scaffold as anti-inflammatory and analgesic agents. Synthesis and in vitro and in vivo biological evaluation.EBI J Med Chem 53: 723-33 (2010) Universit£ La Sapienza 2D 3D TSV
19957930 126 Structure-activity relationship studies leading to the identification of (2E)-3-[l-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methyl-lH-indol-7-yl]-N-[(4,5-dichloro-2-thienyl)sulfonyl]-2-propenamide (DG-041), a potent and selective prostanoid EP3 receptor antagonist, as a novel antiplatelet agent thatEBI J Med Chem 53: 18-36 (2010) deCODE Chemistry, Inc. 2D 3D TSV
19954984 8 Identification of a novel ligand binding motif in the transthyretin channel.EBI Bioorg Med Chem 18: 100-10 (2010) Universidade Federal do Rio de Janeiro 2D 3D TSV
19954978 55 Exploring SAR features in diverse library of 4-cyanomethyl-pyrazole-3-carboxamides suitable for further elaborations as CB1 antagonists.EBI Bioorg Med Chem Lett 20: 26-30 (2010) 7TM Pharma A/S 2D 3D TSV
19954976 60 Pyrazole derived from (+)-3-carene; a novel potent, selective scaffold for sphingosine-1-phosphate (S1P(1)) receptor agonists.EBI Bioorg Med Chem Lett 20: 35-7 (2010) Novartis Institutes for BioMedical Research 2D 3D TSV
19954975 27 Structure-activity relationships of N-substituted ligands for the alpha7 nicotinic acetylcholine receptor.EBI Bioorg Med Chem Lett 20: 104-7 (2010) Abbott Laboratories 2D 3D TSV
19954973 24 Oxygenated analogues of UK-396082 as inhibitors of activated thrombin activatable fibrinolysis inhibitor.EBI Bioorg Med Chem Lett 20: 92-6 (2010) Pfizer Global Research and Development 2D 3D TSV
19954972 14 Oxo-bridged isomers of aza-trishomocubane sigma (sigma) receptor ligands: Synthesis, in vitro binding, and molecular modeling.EBI Bioorg Med Chem Lett 20: 145-8 (2010) University of Sydney 2D 3D TSV
19954971 40 Coumarins as novel 17beta-hydroxysteroid dehydrogenase type 3 inhibitors for potential treatment of prostate cancer.EBI Bioorg Med Chem Lett 20: 272-5 (2010) Sumitomo Chemical Co., Ltd 2D 3D TSV
19954970 64 Novel imidazolopyrimidines as dual PI3-Kinase/mTOR inhibitors.EBI Bioorg Med Chem Lett 20: 653-6 (2010) Wyeth Research 2D 3D TSV
19954867 2 Radiosynthesis and radiopharmacological evaluation of cyclin-dependent kinase 4 (Cdk4) inhibitors.EBI Eur J Med Chem 45: 727-37 (2010) Institute of Radiopharmacy 2D 3D TSV
19954866 31 Efficient microwave combinatorial synthesis of novel indolic arylpiperazine derivatives as serotoninergic ligands.EBI Eur J Med Chem 45: 752-9 (2010) Universit£ di Napoli 2D 3D TSV
19954865 10 Synthesis and AChE inhibitory activity of new chiral tetrahydroacridine analogues from terpenic cyclanones.EBI Eur J Med Chem 45: 526-35 (2010) Universidade Federal do Rio Grande do Sul 2D 3D TSV
19954435 116 Heme oxygenase inhibition by 2-oxy-substituted 1-azolyl-4-phenylbutanes: effect of variation of the azole moiety. X-ray crystal structure of human heme oxygenase-1 in complex with 4-phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone.BDB Chem Biol Drug Des 75: 68-90 (2010) Queen's University 2D 3D TSV
19954248 85 Increasing selectivity of CC chemokine receptor 8 antagonists by engineering nondesolvation related interactions with the intended and off-target binding sites.EBI J Med Chem 52: 7706-23 (2009) AstraZeneca 2D 3D TSV
19954247 17 A strategy to minimize reactive metabolite formation: discovery of (S)-4-(1-cyclopropyl-2-methoxyethyl)-6-[6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino]-5-oxo-4,5-dihydropyrazine-2-carbonitrile as a potent, orally bioavailable corticotropin-releasing factor-1 receptor antagonist.EBI J Med Chem 52: 7653-68 (2009) Bristol-Myers Squibb Company 2D 3D TSV
19951840 10 Structure-activity relationships of the ultrapotent vanilloid resiniferatoxin (RTX): The side chain benzylic methylene.EBI Bioorg Med Chem Lett 20: 97-9 (2010) Universit£ del Piemonte Orientale 2D 3D TSV
19951839 42 3D QSAR studies on 3,4-dihydroquinazolines as T-type calcium channel blocker by comparative molecular similarity indices analysis (CoMSIA).EBI Bioorg Med Chem Lett 20: 38-41 (2010) Kyung Hee University 2D 3D TSV
19950901 23 Selective p38alpha inhibitors clinically evaluated for the treatment of chronic inflammatory disorders.EBI J Med Chem 53: 2345-53 (2010) Roche Palo Alto 2D 3D TSV
19950900 18 Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis.EBI J Med Chem 53: 573-85 (2010) deCODE Chemistry, Inc. 2D 3D TSV
19949058 15 Blockade of X4-tropic HIV-1 cellular entry by GSK812397, a potent noncompetitive CXCR4 receptor antagonist.EBI Antimicrob Agents Chemother 54: 817-24 (2010) GlaxoSmithKline Research and Development 2D 3D TSV
19948404 1 Synthesis and anticancer activities of ageladine A and structural analogs.EBI Bioorg Med Chem Lett 20: 83-6 (2010) Beckman Research Institute at City of Hope 2D 3D TSV
19947601 24 Synthesis, biological evaluation, X-ray structure, and pharmacokinetics of aminopyrimidine c-jun-N-terminal kinase (JNK) inhibitors.EBI J Med Chem 53: 419-31 (2010) and Translational Research Institute 2D 3D TSV
19945877 50 Synthesis and biological activity of 5-styryl and 5-phenethyl-substituted 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoles.EBI Bioorg Med Chem Lett 20: 78-82 (2010) Chemical Diversity Research Institute 2D 3D TSV
19945875 31 The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5.EBI Bioorg Med Chem Lett 20: 157-60 (2010) Novartis Institutes for Biomedical Research 2D 3D TSV
19945874 24 Towards development of selective and reversible pyrazoline based MAO-inhibitors: Synthesis, biological evaluation and docking studies.EBI Bioorg Med Chem Lett 20: 132-6 (2010) Institute of Technology 2D 3D TSV
19945872 12 Oxime derivatives related to AP18: Agonists and antagonists of the TRPA1 receptor.EBI Bioorg Med Chem Lett 20: 276-9 (2010) Renovis, Inc. 2D 3D TSV
19945871 62 A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors.EBI Bioorg Med Chem Lett 20: 153-6 (2010) Vertex Pharmaceuticals Inc. 2D 3D TSV
19945870 10 Discovery of benzimidazole-diamide finger loop (Thumb Pocket I) allosteric inhibitors of HCV NS5B polymerase: Implementing parallel synthesis for rapid linker optimization.EBI Bioorg Med Chem Lett 20: 196-200 (2010) Boehringer Ingelheim (Canada) Ltd 2D 3D TSV
19945869 7 Pyrrole derivatives as potent inhibitors of lymphocyte-specific kinase: Structure, synthesis, and SAR.EBI Bioorg Med Chem Lett 20: 108-11 (2010) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
19945867 39 Ring-fused pyrazole derivatives as potent inhibitors of lymphocyte-specific kinase (Lck): Structure, synthesis, and SAR.EBI Bioorg Med Chem Lett 20: 112-6 (2010) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
19945196 10 Theoretical and structural analysis of the active site of the transcriptional regulators LasR and TraR, using molecular docking methodology for identifying potential analogues of acyl homoserine lactones (AHLs) with anti-quorum sensing activity.EBI Eur J Med Chem 45: 608-15 (2010) Universidad de Cartagena-Facultad de Ciencias Exactas y 2D 3D TSV
19942441 47 Novel tumor-targeted RGD peptide-camptothecin conjugates: synthesis and biological evaluation.EBI Bioorg Med Chem 18: 64-72 (2010) Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni 2D 3D TSV
19942433 8 A single step purification for autolytic zinc proteinases.EBI Bioorg Med Chem Lett 20: 280-2 (2010) Duke University 2D 3D TSV
19939683 7 Biotransformation of isoimperatorin and imperatorin by Glomerella cingulata and beta-secretase inhibitory activity.EBI Bioorg Med Chem 18: 455-9 (2010) Kinki University 2D 3D TSV
19939518 7 Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase.EBI Eur J Med Chem 45: 447-54 (2010) The University of Queensland 2D 3D TSV
19939513 21 8-Sulfonyl-substituted tetrahydro-1H-pyrido[4,3-b]indoles as 5-HT6 receptor antagonists.EBI Eur J Med Chem 45: 782-9 (2010) Chemical Diversity Research Institute 2D 3D TSV
19938842 2 The binding of synthetic retinoids to lipocalin beta-lactoglobulins.EBI J Med Chem 53: 514-8 (2010) University of Helsinki 2D 3D TSV
19933795 12 SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro.EBI Antimicrob Agents Chemother 54: 660-72 (2010) Scynexis, Inc. 2D 3D TSV
19932972 80 Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides: part II.EBI Bioorg Med Chem 18: 190-201 (2010) Wyeth Research 2D 3D TSV
19932968 12 Isoxazole analogues bind the system xc- transporter: structure-activity relationship and pharmacophore model.EBI Bioorg Med Chem 18: 202-13 (2010) The University of Montana 2D 3D TSV
19932965 80 Synthesis and structure-activity relationship of novel lactam-fused chroman derivatives having dual affinity at the 5-HT(1A) receptor and the serotonin transporter.EBI Bioorg Med Chem Lett 20: 222-7 (2010) Wyeth Research 2D 3D TSV
19932964 26 Highly selective and potent mu opioid ligands by unexpected substituent on morphine skeleton.EBI Bioorg Med Chem Lett 20: 418-21 (2010) Fudan University 2D 3D TSV
19932963 6 Addressing species specific metabolism and solubility issues in a quinoline series of oral PDE4 inhibitors.EBI Bioorg Med Chem Lett 20: 137-40 (2010) GlaxoSmithKline 2D 3D TSV
19932960 47 Novel lead for potent inhibitors of breast cancer resistance protein (BCRP).EBI Bioorg Med Chem Lett 20: 180-3 (2010) University of Bonn 2D 3D TSV
19932617 46 4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists.EBI Bioorg Med Chem Lett 20: 209-12 (2010) Wyeth Pharmaceuticals 2D 3D TSV
19932615 17 Scaffold hopping from pyridones to imidazo[1,2-a]pyridines. New positive allosteric modulators of metabotropic glutamate 2 receptor.EBI Bioorg Med Chem Lett 20: 175-9 (2010) Janssen-Cilag S.A. 2D 3D TSV
19932528 29 Synthesis and biological evaluation of novel 4-hydroxybenzaldehyde derivatives as tyrosinase inhibitors.EBI Eur J Med Chem 45: 639-46 (2010) Sun Yat-Sen University 2D 3D TSV
19931463 20 Silicon switch approach in TRPV1 antagonist MK-056 and its analogues.EBI Bioorg Med Chem 18: 111-6 (2010) Sookmyung Women's University 2D 3D TSV
19931460 6 Nanomolar affinity, iminosugar-based chemical probes for specific labeling of lysosomal glucocerebrosidase.EBI Bioorg Med Chem 18: 267-73 (2010) Utrecht University 2D 3D TSV
19931453 59 Piperidyl amides as novel, potent and orally active mGlu5 receptor antagonists with anxiolytic-like activity.EBI Bioorg Med Chem Lett 20: 184-8 (2010) Novartis Institutes for Biomedical Research 2D 3D TSV
19928922 19 Potent and orally active small-molecule inhibitors of the MDM2-p53 interaction.EBI J Med Chem 52: 7970-3 (2009) University of Michigan 2D 3D TSV
19928862 120 Synthesis and opioid receptor binding affinities of 2-substituted and 3-aminomorphinans: ligands for mu, kappa, and delta opioid receptors.EBI J Med Chem 53: 402-18 (2010) Harvard Medical School 2D 3D TSV
19928859 14 Design of O-acetylserine sulfhydrylase inhibitors by mimicking nature.EBI J Med Chem 53: 345-56 (2010) University of Parma 2D 3D TSV
19928858 77 Displacement assay for the detection of stabilizers of inactive kinase conformations.EBI J Med Chem 53: 357-67 (2010) Chemical Genomics Centre of the Max Planck Society 2D 3D TSV
19928767 88 Synthesis, affinity profile and functional activity of potent chiral muscarinic antagonists with a pyrrolidinylfuran structure.EBI J Med Chem 53: 201-7 (2010) Universita di Firenze 2D 3D TSV
19928766 425 Novel bisaryl substituted thiazoles and oxazoles as highly potent and selective peroxisome proliferator-activated receptor delta agonists.EBI J Med Chem 53: 77-105 (2010) The Genomics Institute of the Novartis Research Foundation 2D 3D TSV
19926484 26 Synthesis and in vitro evaluation of fluorinated diphenyloxide derivatives and sulfur analogs as serotonin transporter ligands.EBI Bioorg Med Chem 18: 236-41 (2010) INSERM 2D 3D TSV
19926477 100 2,4-Diaminopyrimidine MK2 inhibitors. Part II: Structure-based inhibitor optimization.EBI Bioorg Med Chem Lett 20: 334-7 (2010) Abbott Laboratories 2D 3D TSV
19926363 29 Synthesis and inhibitory activity against human monoamine oxidase of N1-thiocarbamoyl-3,5-di(hetero)aryl-4,5-dihydro-(1H)-pyrazole derivatives.EBI Eur J Med Chem 45: 800-4 (2010) Universit£ di Roma 2D 3D TSV
19926282 136 Improving the developability profile of pyrrolidine progesterone receptor partial agonists.EBI Bioorg Med Chem Lett 20: 371-4 (2010) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
19926281 56 Novel benzoylpiperidine-based stearoyl-CoA desaturase-1 inhibitors: Identification of 6-[4-(2-methylbenzoyl)piperidin-1-yl]pyridazine-3-carboxylic acid (2-hydroxy-2-pyridin-3-ylethyl)amide and its plasma triglyceride-lowering effects in Zucker fatty rats.EBI Bioorg Med Chem Lett 20: 341-5 (2010) Daiichi Sankyo Co. Ltd 2D 3D TSV
19924997 2 X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase.EBI J Med Chem 53: 230-40 (2010) The Scripps Research Institute 2D 3D TSV
19921781 220 Indol-3-ylcycloalkyl ketones: effects of N1 substituted indole side chain variations on CB(2) cannabinoid receptor activity.EBI J Med Chem 53: 295-315 (2010) Abbott Laboratories 2D 3D TSV
19919896 7 2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode.EBI Bioorg Med Chem Lett 20: 330-3 (2010) Abbott Laboratories 2D 3D TSV
19919895 54 Novel sulfamoyl benzamides as selective CB(2) agonists with improved in vitro metabolic stability.EBI Bioorg Med Chem Lett 20: 387-91 (2010) Adolor Corporation 2D 3D TSV
19919106 2 Chloro-substituted 3-alkylamino-4H-1,2,4-benzothiadiazine 1,1-dioxides as ATP-sensitive potassium channel activators: impact of the position of the chlorine atom on the aromatic ring on activity and tissue selectivity.EBI J Med Chem 53: 147-54 (2010) Universite de Liege 2D 3D TSV
19919087 55 Identification of a brain penetrant PDE9A inhibitor utilizing prospective design and chemical enablement as a rapid lead optimization strategy.EBI J Med Chem 52: 7946-9 (2009) Pfizer Global Research and Development 2D 3D TSV
19916554 19 Structure-based design of pteridine reductase inhibitors targeting African sleeping sickness and the leishmaniases.EBI J Med Chem 53: 221-9 (2010) University of Dundee 2D 3D TSV
19916528 3 5-OHKF and NorKA, depsipeptides from a Hawaiian collection of Bryopsis pennata: binding properties for NorKA to the human neuropeptide Y Y1 receptor.EBI J Nat Prod 72: 2172-6 (2009) The University of Mississippi 2D 3D TSV
19916508 76 Morpholine derivatives greatly enhance the selectivity of mammalian target of rapamycin (mTOR) inhibitors.EBI J Med Chem 52: 7942-5 (2009) Wyeth Research 2D 3D TSV
19914837 74 Synthesis and structure-activity relationships of N-benzyl-N-(X-2-hydroxybenzyl)-N'-phenylureas and thioureas as antitumor agents.EBI Bioorg Med Chem 18: 305-13 (2010) Nanjing University 2D 3D TSV
19914836 2 Synthesis of glycyrrhetinic acid derivatives for the treatment of metabolic diseases.EBI Bioorg Med Chem 18: 433-54 (2010) Vienna University of Technology 2D 3D TSV
19914835 50 Design, synthesis and biological evaluation of thiazolidinone derivatives as potential EGFR and HER-2 kinase inhibitors.EBI Bioorg Med Chem 18: 314-9 (2010) Nanjing University 2D 3D TSV
19914832 3 Synthesis of a hydrolytically stable, fluorescent-labeled ATP analog as a tool for probing adenylyl cyclases.EBI Bioorg Med Chem Lett 20: 232-5 (2010) Ernst-Moritz-Arndt-University 2D 3D TSV
19914831 2 p16(INK4a) Peptide mimetics identified via virtual screening.EBI Bioorg Med Chem Lett 20: 403-5 (2010) Veterans Affairs Medical Center 2D 3D TSV
19914829 7 Benzylidene cyclopentenediones: First irreversible inhibitors against botulinum neurotoxin A's zinc endopeptidase.EBI Bioorg Med Chem Lett 20: 206-8 (2010) The Scripps Research Institute 2D 3D TSV
19914828 37 5-Lipoxygenase-activating protein inhibitors. Part 2: 3-{5-((S)-1-Acetyl-2,3-dihydro-1H-indol-2-ylmethoxy)-3-tert-butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-1H-indol-2-yl}-2,2-dimethyl-propionic acid (AM679)--a potent FLAP inhibitor.EBI Bioorg Med Chem Lett 20: 213-7 (2010) Amira Pharmaceuticals 2D 3D TSV
19914076 37 Aminopyridinecarboxamide-based inhibitors: Structure-activity relationship.EBI Bioorg Med Chem 18: 403-14 (2010) Pfizer Inc 2D 3D TSV
19914068 66 Pyrazolone based TGFbetaR1 kinase inhibitors.EBI Bioorg Med Chem Lett 20: 326-9 (2010) Biogen Idec Inc. 2D 3D TSV
19914066 48 Application of ring-closing metathesis macrocyclization to the development of Tsg101-binding antagonists.EBI Bioorg Med Chem Lett 20: 318-21 (2010) National Cancer Institute-Frederick 2D 3D TSV
19914064 9 Synthesis and antiplasmodial activity of novel 2,4-diaminopyrimidines.EBI Bioorg Med Chem Lett 20: 228-31 (2010) Institute Infectious Diseases Initiative 2D 3D TSV
19914063 84 Design and synthesis of orally-active and selective azaindane 5HT2c agonist for the treatment of obesity.EBI Bioorg Med Chem Lett 20: 266-71 (2010) Pfizer Global Research and Development 2D 3D TSV
19913414 7 Antimalarial activity of azadipeptide nitriles.EBI Bioorg Med Chem Lett 20: 252-5 (2010) University of Queensland 2D 3D TSV
19912058 11 Dipeptide-derived nitriles containing additional electrophilic sites: potentially irreversible inhibitors of cysteine proteases.BDB J Enzyme Inhib Med Chem 24: 1245-52 (2009) Rheinische Friedrich-Wilhelms-Universitat 2D 3D TSV
19911821 273 Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins.EBI J Med Chem 53: 335-44 (2010) Universita degli Studi di Firenze 2D 3D TSV
19911773 57 Structure-activity relationship study of betulinic acid, a novel and selective TGR5 agonist, and its synthetic derivatives: potential impact in diabetes.EBI J Med Chem 53: 178-90 (2010) Universite Louis Pasteur 2D 3D TSV
19911771 4 Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues.EBI J Med Chem 53: 191-200 (2010) Universidad de Santiago de Compostela 2D 3D TSV
19910191 46 Discovery of orally available integrin alpha5beta1 antagonists.EBI Bioorg Med Chem Lett 20: 380-2 (2010) Jerini AG 2D 3D TSV
19908842 84 Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB.EBI J Med Chem 53: 52-60 (2010) National Human Genome Research Institute 2D 3D TSV
19908840 71 Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease.EBI J Med Chem 53: 37-51 (2010) National Human Genome Research Institute 2D 3D TSV
19906530 22 Discovery of potent, selective, and orally bioavailable PDE5 inhibitor: Methyl-4-(3-chloro-4-methoxybenzylamino)-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-ylmethylcarbamate (CKD 533).EBI Bioorg Med Chem Lett 20: 383-6 (2010) Chong Kun Dang Research Institute 2D 3D TSV
19906529 22 Identification of a series of substituted 2-piperazinyl-5-pyrimidylhydroxamic acids as potent histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 20: 294-8 (2010) Ortho-Biotech Oncology Research& Development 2D 3D TSV
19906467 109 Development of 5-benzylpaullones and paullone-9-carboxylic acid alkyl esters as selective inhibitors of mitochondrial malate dehydrogenase (mMDH).EBI Eur J Med Chem 45: 335-42 (2010) Technische Universit£t Braunschweig 2D 3D TSV
19906464 2 Synthesis of aryl phosphates based on pyrimidine and triazine scaffolds.EBI Eur J Med Chem 45: 244-55 (2010) CNRS UMR 176 2D 3D TSV
19904934 31 4-Oxo-beta-lactams (azetidine-2,4-diones) are potent and selective inhibitors of human leukocyte elastase.EBI J Med Chem 53: 241-53 (2010) University of Lisbon 2D 3D TSV
19902968 55 Human P2Y(14) receptor agonists: truncation of the hexose moiety of uridine-5'-diphosphoglucose and its replacement with alkyl and aryl groups.EBI J Med Chem 53: 471-80 (2010) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
19902958 24 Solid phase synthesis of novel pyrrolidinedione analogs as potent HIV-1 integrase inhibitors.BDB J Comb Chem 12: 84-90 Bristol-Myers Squibb 2D 3D TSV
19902954 19 Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists.EBI J Med Chem 52: 7962-5 (2009) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
19901091 2 Novel ambler class A carbapenem-hydrolyzing beta-lactamase from a Pseudomonas fluorescens isolate from the Seine River, Paris, France.EBI Antimicrob Agents Chemother 54: 328-32 (2009) Service de Bactériologie-Virologie, Hôpital de Bicêtre 2D 3D TSV
19900814 15 Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties.BDB Bioorg Med Chem 17: 8221-33 (2009) Daiichi Sankyo Co, Ltd 2D 3D TSV
19900813 12 Optimization of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine-5-ylidene)acetamide derivatives as arginine vasopressin V2 receptor agonists and discussion of their binding modes.BDB Bioorg Med Chem 17: 8161-7 (2009) Astellas Pharma Inc. 2D 3D TSV
19900809 12 Thyroid receptor agonists for the treatment of androgenetic alopecia.EBI Bioorg Med Chem Lett 20: 306-8 (2010) Pfizer Global Research& Development 2D 3D TSV
19899766 14 Structural studies of pterin-based inhibitors of dihydropteroate synthase.EBI J Med Chem 53: 166-77 (2010) University of Tennessee Health Science Center 2D 3D TSV
19899765 69 Phosphinic tripeptides as dual angiotensin-converting enzyme C-domain and endothelin-converting enzyme-1 inhibitors.EBI J Med Chem 53: 208-20 (2010) CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) 2D 3D TSV
19897373 27 Synthesis and structural optimization of multiple H-bonding region of diarylalkyl (thio)amides as novel TRPV1 antagonists.EBI Bioorg Med Chem 17: 8149-60 (2009) Seoul National University 2D 3D TSV
19897367 43 Bioisosterism of urea-based GCPII inhibitors: Synthesis and structure-activity relationship studies.EBI Bioorg Med Chem Lett 20: 392-7 (2010) Institutions 2D 3D TSV
19897364 21 Synthesis and in vivo evaluation of 3-substituted gababutins.EBI Bioorg Med Chem Lett 20: 362-5 (2010) Pfizer Global Research and Development 2D 3D TSV
19897362 52 Discovery of 2-arylthieno[3,2-d]pyrimidines containing 8-oxa-3-azabi-cyclo[3.2.1]octane in the 4-position as potent inhibitors of mTOR with selectivity over PI3K.EBI Bioorg Med Chem Lett 20: 375-9 (2010) Wyeth Research 2D 3D TSV
19896847 36 Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577.BDB Bioorg Med Chem Lett 19: 6882-9 (2009) Bristol-Myers Squibb Company 2D 3D TSV
19896846 44 Synthesis and monoamine transporter affinity of 3alpha-arylmethoxy-3beta-arylnortropanes.EBI Bioorg Med Chem Lett 19: 6865-8 (2009) University of New Orleans 2D 3D TSV
19896845 54 Incorporation of water-solubilizing groups in pyrazolopyrimidine mTOR inhibitors: discovery of highly potent and selective analogs with improved human microsomal stability.EBI Bioorg Med Chem Lett 19: 6830-5 (2009) Wyeth Research 2D 3D TSV
19896843 55 Tetrahydroquinoline derivatives as CRTH2 antagonists.EBI Bioorg Med Chem Lett 19: 6840-4 (2009) Amgen Inc. 2D 3D TSV
19896842 54 N3-arylmalonamides: a new series of thieno[3,2-b]pyridine based inhibitors of c-Met and VEGFR2 tyrosine kinases.EBI Bioorg Med Chem Lett 19: 6836-9 (2009) MethylGene Inc. 2D 3D TSV
19896386 85 Properly substituted 1,4-dioxane nucleus favours the selective M3 muscarinic receptor activation.EBI Bioorg Med Chem 17: 8174-85 (2009) Universit£ di Camerino 2D 3D TSV
19896374 53 Exploration of O-spiroketal C-arylglucosides as novel and selective renal sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors.EBI Bioorg Med Chem Lett 19: 6877-81 (2009) Chinese Academy of Sciences 2D 3D TSV
19895505 11 Synthesis and pharmacological evaluation of analogs of indole-based cannabimimetic agents.BDB Chem Biol Drug Des 75: 106-14 (2010) Università di Napoli Federico II 2D 3D TSV
19895503 24 Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template.BDB Chem Biol Drug Des 75: 18-28 (2010) ARIAD Pharmaceuticals Inc 2D 3D TSV
19894727 164 Discovery of 4-morpholino-6-aryl-1H-pyrazolo[3,4-d]pyrimidines as highly potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR): optimization of the 6-aryl substituent.EBI J Med Chem 52: 8010-24 (2009) Wyeth Research 2D 3D TSV
19892442 62 Three dimensional pharmacophore modelling for c-Kit receptor tyrosine kinase inhibitors.EBI Eur J Med Chem 45: 393-404 (2010) Punjabi University 2D 3D TSV
19891491 26 Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a.EBI J Med Chem 52: 7950-3 (2009) University of North Carolina 2D 3D TSV
19891474 131 1,2,4-Triazolyl azabicyclo[3.1.0]hexanes: a new series of potent and selective dopamine D(3) receptor antagonists.EBI J Med Chem 53: 374-91 (2010) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
19891440 57 Discovery of trans-4-[1-[[2,5-Dichloro-4-(1-methyl-3-indolylcarboxamido)phenyl]acetyl]-(4S)-methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid: an orally active, selective very late antigen-4 antagonist.EBI J Med Chem 52: 7974-92 (2009) Daiichi Sankyo Co., Ltd. 2D 3D TSV
19889540 76 Structure-activity relationships of 6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)pyrido[2,3-d]pyrimidin-7-ones: toward selective Abl inhibitors.EBI Bioorg Med Chem Lett 19: 6872-6 (2009) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
19889539 49 Fragment-based discovery of selective inhibitors of the Mycobacterium tuberculosis protein tyrosine phosphatase PtpA.EBI Bioorg Med Chem Lett 19: 6851-4 (2009) University of California 2D 3D TSV
19889536 29 Terpenoids. III: Synthesis and biological evaluation of 23-hydroxybetulinic acid derivatives as novel inhibitors of glycogen phosphorylase.EBI Bioorg Med Chem Lett 19: 6966-9 (2009) China Pharmaceutical University 2D 3D TSV
19888761 52 Discovery of a novel Her-1/Her-2 dual tyrosine kinase inhibitor for the treatment of Her-1 selective inhibitor-resistant non-small cell lung cancer.EBI J Med Chem 52: 6880-8 (2009) Hanmi Research Center 2D 3D TSV
19888760 44 Synthesis and evaluation of a new generation of orally efficacious benzimidazole-based poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors as anticancer agents.EBI J Med Chem 52: 6803-13 (2009) Abbott Laboratories 2D 3D TSV
19888759 42 Identification of novel, selective, and stable inhibitors of class II histone deacetylases. Validation studies of the inhibition of the enzymatic activity of HDAC4 by small molecules as a novel approach for cancer therapy.EBI J Med Chem 52: 6782-9 (2009) Istituto Di Ricerche Di Biologia Molecolare 2D 3D TSV
19888758 55 Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells.EBI J Med Chem 52: 6716-23 (2009) Institute for Medical Research 2D 3D TSV
19888757 30 Constrained peptidomimetics reveal detailed geometric requirements of covalent prolyl oligopeptidase inhibitors.EBI J Med Chem 52: 6672-84 (2009) McGill University 2D 3D TSV
19888755 43 Selective Kv1.5 blockers: development of (R)-1-(methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)-2-imidazolidinone (KVI-020/WYE-160020) as a potential treatment for atrial arrhythmia.EBI J Med Chem 52: 6531-4 (2009) Wyeth Research 2D 3D TSV
19886628 6 Binding ensemble profiling with photoaffinity labeling (BEProFL) approach: mapping the binding poses of HDAC8 inhibitors.EBI J Med Chem 52: 7003-13 (2009) University of Illinois at Chicago 2D 3D TSV
19886609 40 Might adrenergic alpha2C-agonists/alpha2A-antagonists become novel therapeutic tools for pain treatment with morphine?EBI J Med Chem 52: 7319-22 (2009) Universita degli Studi di Camerino 2D 3D TSV
19884015 17 Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part I: exploration of 5-6 fused rings as alternative S1 moieties.BDB Bioorg Med Chem 17: 8206-20 (2009) Daiichi Sankyo Co, Ltd 2D 3D TSV
19884013 98 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity.BDB Bioorg Med Chem 17: 7933-48 (2009) Wyeth Research 2D 3D TSV
19884011 15 Discovery of benzo[g]indol-3-carboxylates as potent inhibitors of microsomal prostaglandin E(2) synthase-1.EBI Bioorg Med Chem 17: 7924-32 (2009) Eberhard Karls University Tuebingen 2D 3D TSV
19884006 47 Hit to lead optimization of pyrazolo[1,5-a]pyrimidines as B-Raf kinase inhibitors.EBI Bioorg Med Chem Lett 19: 6890-2 (2009) Wyeth Research 2D 3D TSV
19884005 17 Synthesis and biological evaluation of salicylic acid and N-acetyl-2-carboxybenzenesulfonamide regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity.EBI Bioorg Med Chem Lett 19: 6855-61 (2009) University of Alberta 2D 3D TSV
19884004 20 1-(2-Aminoethyl)-3-(arylsulfonyl)-1H-pyrrolopyridines are 5-HT(6) receptor ligands.EBI Bioorg Med Chem Lett 19: 6935-8 (2009) Wyeth Research 2D 3D TSV
19883244 8 3-arylidene-5-(4-isobutylphenyl)-2(3H)-furanones: a new series of anti-inflammatory and analgesic compounds having antimicrobial activity.BDB J Enzyme Inhib Med Chem 25: 323-30 (2010) Jamia Hamdard 2D 3D TSV
19883100 3 Biaryl ethers as novel non-nucleoside reverse transcriptase inhibitors with improved potency against key mutant viruses.EBI J Med Chem 52: 7163-9 (2009) Merck Research Laboratory 2D 3D TSV
19883085 86 Bis(dialkylaminethiocarbonyl)disulfides as potent and selective monoglyceride lipase inhibitors.EBI J Med Chem 52: 7310-4 (2009) Universite Catholique de Louvain 2D 3D TSV
19883083 1 4-Pregnen-21-ol-3,20-dione-21-(4-bromobenzenesulfonate) (NSC 88915) and related novel steroid derivatives as tyrosyl-DNA phosphodiesterase (Tdp1) inhibitors.EBI J Med Chem 52: 7122-31 (2009) National Cancer Institute 2D 3D TSV
19883081 52 Discovery of novel benzoxazinones as potent and orally active long chain fatty acid elongase 6 inhibitors.EBI J Med Chem 52: 7289-300 (2009) Tsukuba Research Institute 2D 3D TSV
19880322 56 N-acylpolyamine inhibitors of HDM2 and HDMX binding to p53.BDB Bioorg Med Chem 17: 7884-93 (2009) NIH 2D 3D TSV
19880317 50 COX, LOX and platelet aggregation inhibitory properties of Lauraceae neolignans.EBI Bioorg Med Chem Lett 19: 6922-5 (2009) Universidad Nacional de Colombia 2D 3D TSV
19879767 5 Spare interactions of highly potent [Arg(14),Lys(15)]nociceptin for cooperative induction of ORL1 receptor activation.EBI Bioorg Med Chem 17: 7904-8 (2009) Kyushu University 2D 3D TSV
19879766 11 Synthesis and HMG-CoA reductase inhibition of 2-cyclopropyl-4-thiophenyl-quinoline mevalonolactones.EBI Bioorg Med Chem 17: 7915-23 (2009) Institute of Pharmaceutical Industry 2D 3D TSV
19879752 12 Identification of novel agonists of the integrin CD11b/CD18.EBI Bioorg Med Chem Lett 19: 6902-6 (2009) Department of Medicine and University of Miami 2D 3D TSV
19879673 18 Synthesis and preliminary biological evaluation of new derivatives of the marine alkaloid leucettamine B as kinase inhibitors.EBI Eur J Med Chem 45: 805-10 (2010) TBA 2D 3D TSV
19879672 16 Structural aspects of flavonoids as inhibitors of human butyrylcholinesterase.EBI Eur J Med Chem 45: 186-92 (2010) Institute for Medical Research and Occupational Health 2D 3D TSV
19879669 3 Identification of (beta-carboxyethyl)-rhodanine derivatives exhibiting peroxisome proliferator-activated receptor gamma activity.EBI Eur J Med Chem 45: 193-202 (2010) Sookmyung Women's University 2D 3D TSV
19879151 58 Design and synthesis of N(6)-substituted-4'-thioadenosine-5'-uronamides as potent and selective human A(3) adenosine receptor agonists.EBI Bioorg Med Chem 17: 8003-11 (2009) Ewha Womans University 2D 3D TSV
19879134 94 Imidazo[1,2-a]pyrazine diaryl ureas: inhibitors of the receptor tyrosine kinase EphB4.EBI Bioorg Med Chem Lett 19: 6991-5 (2009) CGI Pharmaceuticals, Inc. 2D 3D TSV
19879023 1 Synthesis and cytotoxic activity of 2-methylimidazo[1,2-a]pyridine- and quinoline-substituted 2-aminopyrimidine derivatives.EBI Eur J Med Chem 45: 379-86 (2010) Universidad Nacional Aut£noma de M£xico 2D 3D TSV
19877692 58 Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1).BDB J Med Chem 52: 7142-56 (2009) University of Manchester 2D 3D TSV
19877691 36 beta-Lactams derived from a carbapenem chiron are selective inhibitors of human fatty acid amide hydrolase versus human monoacylglycerol lipase.EBI J Med Chem 52: 7054-68 (2009) Universite Catholique de Louvain 2D 3D TSV
19877644 6 Identification of death-associated protein kinases inhibitors using structure-based virtual screening.EBI J Med Chem 52: 7323-7 (2009) PharmaDesign, Inc. 2D 3D TSV
19877603 51 Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors.BDB J Med Chem 52: 5217-27 (2009) IRBM-MRL Rome 2D 3D TSV
19875298 5 The spirocyclopropyl moiety as a methyl surrogate in the structure of l-fucosidase and l-rhamnosidase inhibitors.EBI Bioorg Med Chem 17: 8020-6 (2009) Universit£ de Reims Champagne-Ardenne 2D 3D TSV
19875287 56 Synthesis and SAR of novel, non-MPEP chemotype mGluR5 NAMs identified by functional HTS.EBI Bioorg Med Chem Lett 19: 6502-6 (2009) Vanderbilt University Medical Center 2D 3D TSV
19875286 44 Use of 5-hydroxy-4H-benzo[1,4]oxazin-3-ones as beta2-adrenoceptor agonists.EBI Bioorg Med Chem Lett 19: 6640-4 (2009) Boehringer Ingelheim Pharma GmbH& Co KG 2D 3D TSV
19875283 41 Novel pyrazolopyrimidines as highly potent B-Raf inhibitors.EBI Bioorg Med Chem Lett 19: 6957-61 (2009) Wyeth Research 2D 3D TSV
19875281 73 Synthesis and biological evaluation of piperazinyl carbamates and ureas as fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channel dual ligands.EBI Bioorg Med Chem Lett 19: 6806-9 (2009) Sapienza Universit£ di Roma 2D 3D TSV
19875205 4 Sigma-1 ligands: Tic-hydantoin as a key pharmacophore.EBI Eur J Med Chem 45: 256-63 (2010) UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille 2D 3D TSV
19875078 5 Discovery of potent and reversible monoacylglycerol lipase inhibitors.BDB Chem Biol 16: 1045-52 (2009) University of California Irvine 2D 3D TSV
19874209 11 New insights into homopiperazine-based 5-HT1A/5-HT7R ligands: synthesis and biological evaluation.BDB J Enzyme Inhib Med Chem 25: 301-5 (2010) University of Orléans 2D 3D TSV
19874206 5 Synthesis and biological activity of progesterone derivatives as 5alpha-reductase inhibitors, and their effect on hamster prostate weight.BDB J Enzyme Inhib Med Chem 25: 306-11 (2010) Universidad Nacional Autónoma de México 2D 3D TSV
19874137 3 Inhibitory effects of thioethers on fatty acid synthase and 3T3-L1 cells.BDB J Enzyme Inhib Med Chem 25: 290-5 (2010) Graduate University of Chinese Academy of Sciences 2D 3D TSV
19874136 84 Synthesis and biological evaluation of biguanide and dihydrotriazine derivatives as potential inhibitors of dihydrofolate reductase of opportunistic microorganisms.BDB J Enzyme Inhib Med Chem 25: 331-9 (2010) Institute of Chemical Technology 2D 3D TSV
19873981 34 Discovery of 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827): a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors.EBI J Med Chem 52: 7170-85 (2009) IRBM/Merck Research Labs Rome 2D 3D TSV
19864136 45 Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors.EBI Bioorg Med Chem Lett 19: 6519-23 (2009) Wyeth Research 2D 3D TSV
19864135 43 Discovery and SAR of cyclic isothioureas as novel NPY Y1 receptor antagonists.EBI Bioorg Med Chem Lett 19: 6801-5 (2009) Schering Plough Research Institute 2D 3D TSV
19864133 42 2-Amino-5-aryl-pyridines as selective CB2 agonists: synthesis and investigation of structure-activity relationships.EBI Bioorg Med Chem Lett 19: 6578-81 (2009) GlaxoSmithKline 2D 3D TSV
19864132 26 5-Aryl indanones and derivatives as non-steroidal progesterone receptor modulators.EBI Bioorg Med Chem Lett 19: 6666-9 (2009) Wyeth Research 2D 3D TSV
19864130 26 Design and synthesis of 6-oxo-1,6-dihydropyridines as CDK5 inhibitors.EBI Bioorg Med Chem Lett 19: 6591-4 (2009) Amgen Inc 2D 3D TSV
19863083 25 The lecanindoles, nonsteroidal progestins from the terrestrial fungus Verticillium lecanii 6144.EBI J Nat Prod 72: 1944-8 (2009) Wyeth Research 2D 3D TSV
19863057 47 Inhibitors for human glutaminyl cyclase by structure based design and bioisosteric replacement.EBI J Med Chem 52: 7069-80 (2009) Probiodrug AG 2D 3D TSV
19861238 14 Synthesis and biological evaluation of the metabolites of 2-(1-{3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl}piperidin-4-yl)-5-methyl-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one.EBI Bioorg Med Chem 17: 7993-8002 (2009) Takeda Pharmaceutical Company, Ltd 2D 3D TSV
19860432 42 alphavbeta3 Integrin-targeting Arg-Gly-Asp (RGD) peptidomimetics containing oligoethylene glycol (OEG) spacers.EBI J Med Chem 52: 7029-43 (2009) Universite Catholique de Louvain 2D 3D TSV
19860431 1 chi-Conopeptide pharmacophore development: toward a novel class of norepinephrine transporter inhibitor (Xen2174) for pain.EBI J Med Chem 52: 6991-7002 (2009) Xenome Ltd. 2D 3D TSV
19857969 6 Structural basis of the selectivity of the beta(2)-adrenergic receptor for fluorinated catecholamines.EBI Bioorg Med Chem 17: 7987-92 (2009) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
19857967 103 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.EBI Bioorg Med Chem Lett 19: 6529-33 (2009) Vertex Pharmaceuticals Inc 2D 3D TSV
19857966 62 Discovery of pyrazol-3-ylamino pyrazines as novel JAK2 inhibitors.EBI Bioorg Med Chem Lett 19: 6524-8 (2009) AstraZeneca R&D Boston 2D 3D TSV
19857964 3 Structural basis for the inhibitor recognition of human Lyn kinase domain.EBI Bioorg Med Chem Lett 19: 6557-60 (2009) Osaka Prefecture University 2D 3D TSV
19856966 12 (1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine: a wingless beta-catenin agonist that increases bone formation rate.EBI J Med Chem 52: 6962-5 (2009) Wyeth Research 2D 3D TSV
19856955 2 Lorneic acids, trialkyl-substituted aromatic acids from a marine-derived actinomycete.EBI J Nat Prod 72: 2046-8 (2009) Nippon Suisan Kaisha, Ltd 2D 3D TSV
19856923 40 Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease.EBI J Med Chem 52: 7249-57 (2009) Instituto de Quimica Medica (CSIC) 2D 3D TSV
19856921 21 Synthesis, structure-activity relationships, and characterization of novel nonsteroidal and selective androgen receptor modulators.EBI J Med Chem 52: 7186-91 (2009) ACADIA Pharmaceuticals AB 2D 3D TSV
19856920 10 Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction.EBI J Med Chem 52: 7044-53 (2009) Amgen Inc. 2D 3D TSV
19854650 70 Heterobiaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part II.EBI Bioorg Med Chem Lett 19: 6613-7 (2009) AMRI 2D 3D TSV
19854649 49 Discovery of highly potent and selective type I B-Raf kinase inhibitors.EBI Bioorg Med Chem Lett 19: 6571-4 (2009) Wyeth Research 2D 3D TSV
19854648 28 Discovery of the first known small-molecule inhibitors of heme-regulated eukaryotic initiation factor 2alpha (HRI) kinase.EBI Bioorg Med Chem Lett 19: 6548-51 (2009) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
19854647 17 Novel thienopyrimidine and thiazolopyrimidine kinase inhibitors with activity against Tie-2 in vitro and in vivo.EBI Bioorg Med Chem Lett 19: 6670-4 (2009) AstraZeneca 2D 3D TSV
19854645 87 Synthesis and PKCtheta inhibitory activity of a series of 5-vinyl phenyl sulfonamide-3-pyridinecarbonitriles.EBI Bioorg Med Chem Lett 19: 6575-7 (2009) Wyeth Research 2D 3D TSV
19854643 8 Design and synthesis of novel histone deacetylase inhibitor derived from nuclear localization signal peptide.EBI Bioorg Med Chem Lett 19: 6588-90 (2009) School of Chemistry and Biochemistry 2D 3D TSV
19854054 18 Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma.EBI Bioorg Med Chem Lett 19: 6565-70 (2009) NicOx Research Institute 2D 3D TSV
19854053 152 Discovery and pharmacological characterization of aryl piperazine and piperidine ethers as dual acting norepinephrine reuptake inhibitors and 5-HT1A partial agonists.EBI Bioorg Med Chem Lett 19: 6604-7 (2009) Pfizer Global Research and Development 2D 3D TSV
19854052 420 Discovery of pyrimidine benzimidazoles as Src-family selective Lck inhibitors. Part II.EBI Bioorg Med Chem Lett 19: 6691-5 (2009) Genomics Institute of the Novartis Research Foundation (GNF) 2D 3D TSV
19854051 56 N-(4-(6,7-Disubstituted-quinolin-4-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamides: a novel series of dual c-Met/VEGFR2 receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 19: 6552-6 (2009) MethylGene Inc 2D 3D TSV
19854049 49 Discovery and SAR of 6-substituted-4-anilinoquinazolines as non-competitive antagonists of mGlu5.EBI Bioorg Med Chem Lett 19: 6623-6 (2009) Vanderbilt University Medical Center 2D 3D TSV
19854048 3 Discovery of novel non-peptide inhibitors of BACE-1 using virtual high-throughput screening.EBI Bioorg Med Chem Lett 19: 6770-4 (2009) University of Leeds 2D 3D TSV
19853462 34 4-(3-aryloxyaryl)quinoline alcohols are liver X receptor agonists.BDB Bioorg Med Chem 17: 8086-92 (2009) Wyeth Research 2D 3D TSV
19853443 6 (4-Piperidinyl)-piperazine: a new platform for acetyl-CoA carboxylase inhibitors.EBI Bioorg Med Chem Lett 19: 6645-8 (2009) Taisho Pharmaceutical Co, Ltd 2D 3D TSV
19853442 35 New classes of potent and bioavailable human renin inhibitors.EBI Bioorg Med Chem Lett 19: 6762-5 (2009) Actelion Pharmaceuticals Ltd 2D 3D TSV
19853441 16 Synthesis and evaluation of D-gluco-pyranocyclopropyl amines as potential glucosidase inhibitors.EBI Bioorg Med Chem Lett 19: 6600-3 (2009) Leiden University 2D 3D TSV
19853439 21 Novel biphenylcarboxylic acid peroxisome proliferator-activated receptor (PPAR) delta selective antagonists.EBI Bioorg Med Chem Lett 19: 6595-9 (2009) The University of Tokyo 2D 3D TSV
19850474 5 Mining biologically-active molecules for inhibitors of fatty acid amide hydrolase (FAAH): identification of phenmedipham and amperozide as FAAH inhibitors.EBI Bioorg Med Chem Lett 19: 6793-6 (2009) Renovis, Inc 2D 3D TSV
19850473 30 Pentacycle derivatives as cannabinoid CB1 receptor ligands.EBI Bioorg Med Chem Lett 19: 6632-6 (2009) Green Cross Corporation 2D 3D TSV
19848434 27 Using enzyme assays to evaluate the structure and bioactivity of sponge-derived meroterpenes.EBI J Nat Prod 72: 1857-63 (2009) University of California Santa Cruz 2D 3D TSV
19848405 42 Aza-peptidyl Michael acceptor and epoxide inhibitors--potent and selective inhibitors of Schistosoma mansoni and Ixodes ricinus legumains (asparaginyl endopeptidases).EBI J Med Chem 52: 7192-210 (2009) Georgia Institute of Technology 2D 3D TSV
19848404 44 Discovery of potent and selective inhibitors of the mammalian target of rapamycin (mTOR) kinase.BDB J Med Chem 52: 7081-9 (2009) Wyeth Research 2D 3D TSV
19846305 86 Biaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part I.EBI Bioorg Med Chem Lett 19: 6608-12 (2009) AMRI 2D 3D TSV
19846303 59 Synthesis and biological evaluation of heterocyclic ring-substituted maslinic acid derivatives as novel inhibitors of protein tyrosine phosphatase 1B.EBI Bioorg Med Chem Lett 19: 6618-22 (2009) East China Normal University 2D 3D TSV
19846301 75 Carbonic anhydrase inhibitors. Characterization and inhibition studies of the most active beta-carbonic anhydrase from Mycobacterium tuberculosis, Rv3588c.EBI Bioorg Med Chem Lett 19: 6649-54 (2009) Universit£ degli Studi di Firenze 2D 3D TSV
19846299 52 Histamine H3 and H4 receptor affinity of branched 3-(1H-imidazol-4-yl)propyl N-alkylcarbamates.EBI Bioorg Med Chem Lett 19: 6682-5 (2009) Jagiellonian University Medical College 2D 3D TSV
19846298 119 Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs).EBI Bioorg Med Chem Lett 19: 6813-7 (2009) GlaxoSmithKline R&D 2D 3D TSV
19846295 8 Protein tyrosine phosphatase 1B inhibitors isolated from Morus bombycis.EBI Bioorg Med Chem Lett 19: 6759-61 (2009) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
19846239 24 Application of desirability-based multi(bi)-objective optimization in the design of selective arylpiperazine derivates for the 5-HT1A serotonin receptor.EBI Eur J Med Chem 44: 5045-54 (2009) University of Porto 2D 3D TSV
19843080 43 The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.BDB Chem Biol Drug Des 74: 547-59 (2009) Pfizer Inc. 2D 3D TSV
19842944 6 Inactivation of acetylcholinesterase by various fluorophores.BDB J Enzyme Inhib Med Chem 25: 116-20 (2010) The University of Montana 2D 3D TSV
19842669 34 14beta-Arylpropiolylamino-17-cyclopropylmethyl-7,8-dihydronormorphinones and related opioids. Further examples of pseudoirreversible mu opioid receptor antagonists.EBI J Med Chem 52: 6926-30 (2009) University of Bristol 2D 3D TSV
19842661 140 Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as potent, highly selective, and orally bioavailable inhibitors of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM) kinases.BDB J Med Chem 52: 6621-36 (2009) Abbott Laboratories 2D 3D TSV
19842660 49 Exploring the importance of piperazine N-atoms for sigma(2) receptor affinity and activity in a series of analogs of 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28).EBI J Med Chem 52: 7817-28 (2009) Universita degli Studi di Bari 2D 3D TSV
19841155 29 MK-7009, a potent and selective inhibitor of hepatitis C virus NS3/4A protease.EBI Antimicrob Agents Chemother 54: 305-11 (2009) Merck Research Laboratories 2D 3D TSV
19839643 11 Hepatitis C virus NS3 protease is activated by low concentrations of protease inhibitors.BDB Biochemistry 48: 11592-602 (2009) Uppsala University 2D 3D TSV
19839614 20 Cytotoxic xanthone constituents of the stem bark of Garcinia mangostana (mangosteen).EBI J Nat Prod 72: 2028-31 (2009) The Ohio State University 2D 3D TSV
19839593 4 Tea catechins inhibit hepatocyte growth factor receptor (MET kinase) activity in human colon cancer cells: kinetic and molecular docking studies.EBI J Med Chem 52: 6543-5 (2009) Oregon State University 2D 3D TSV
19839592 37 Synthesis and biological evaluation of 2-alkynyl-N6-methyl-5'-N-methylcarboxamidoadenosine derivatives as potent and highly selective agonists for the human adenosine A3 receptor.EBI J Med Chem 52: 7897-900 (2009) University of Camerino 2D 3D TSV
19837589 52 Benzothiazoles as Rho-associated kinase (ROCK-II) inhibitors.EBI Bioorg Med Chem Lett 19: 6686-90 (2009) Translational Research Institute and Department of Molecular Therapeutics 2D 3D TSV
19837585 46 Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk).EBI Bioorg Med Chem Lett 19: 6700-5 (2009) National Human Genome Research Institute 2D 3D TSV
19836951 33 1,2-Diamines as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1).EBI Bioorg Med Chem Lett 19: 6725-32 (2009) MethylGene Inc 2D 3D TSV
19836950 9 Design, synthesis and biological evaluation of a bivalent micro opiate and adenosine A1 receptor antagonist.EBI Bioorg Med Chem Lett 19: 6736-9 (2009) Aix-Marseille Universit£ 2D 3D TSV
19836949 31 Structure-based design, synthesis and in vitro characterization of potent 17beta-hydroxysteroid dehydrogenase type 1 inhibitors based on 2-substitutions of estrone and D-homo-estrone.EBI Bioorg Med Chem Lett 19: 6740-4 (2009) Institute of Experimental Genetics 2D 3D TSV
19836860 5 Discovery of colon tumor cell growth inhibitory agents through a combinatorial approach.EBI Eur J Med Chem 45: 90-7 (2010) German University in Cairo 2D 3D TSV
19836248 35 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3.BDB Bioorg Med Chem 17: 7755-68 (2009) Wyeth Research 2D 3D TSV
19836247 49 Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles.BDB Bioorg Med Chem 17: 7802-15 (2009) Wyeth Research 2D 3D TSV
19836235 8 Design, synthesis and biological evaluation of novel thiazole derivatives as potent FabH inhibitors.EBI Bioorg Med Chem Lett 19: 6750-4 (2009) Nanjing University 2D 3D TSV
19836234 46 2-Benzimidazolyl-9-(chroman-4-yl)-purinone derivatives as JAK3 inhibitors.EBI Bioorg Med Chem Lett 19: 6788-92 (2009) Ligand Pharmaceuticals, Inc 2D 3D TSV
19836233 31 Heterocyclic 1,7-disubstituted indole sulfonamides are potent and selective human EP3 receptor antagonists.EBI Bioorg Med Chem Lett 19: 6797-800 (2009) deCODE Chemistry, Inc 2D 3D TSV
19836232 48 Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors.EBI Bioorg Med Chem Lett 19: 6784-7 (2009) Princ 2D 3D TSV
19836230 17 Cytotoxic and PTP1B inhibitory activities from Erythrina abyssinica.EBI Bioorg Med Chem Lett 19: 6745-9 (2009) Chosun University 2D 3D TSV
19836229 66 5-Fluorocytosine derivatives as inhibitors of deoxycytidine kinase.EBI Bioorg Med Chem Lett 19: 6780-3 (2009) Princ 2D 3D TSV
19835391 4 Total synthesis of (-)-uniflorine A.EBI J Nat Prod 72: 2058-60 (2009) Universit£ di Firenze 2D 3D TSV
19835382 18 Discovery and optimization of substituted 1-(1-phenyl-1H-pyrazol-3-yl)methanamines as potent and efficacious type II calcimimetics.EBI J Med Chem 52: 6535-8 (2009) Amgen Inc. 2D 3D TSV
19833514 104 The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements.EBI Bioorg Med Chem Lett 19: 6340-5 (2009) Santhera Pharmaceuticals (Switzerland) Ltd 2D 3D TSV
19831400 47 Novel, potent, and selective quinoxaline-based 5-HT(3) receptor ligands. 1. Further structure-activity relationships and pharmacological characterization.EBI J Med Chem 52: 6946-50 (2009) European Research Centre for Drug Discovery and Development 2D 3D TSV
19831396 84 New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity.EBI J Med Chem 52: 6724-43 (2009) Saarland University 2D 3D TSV
19831390 54 Novel class of LIM-kinase 2 inhibitors for the treatment of ocular hypertension and associated glaucoma.EBI J Med Chem 52: 6515-8 (2009) Princ 2D 3D TSV
19828449 4 Chemical validation of trypanothione synthetase: a potential drug target for human trypanosomiasis.BDB J Biol Chem 284: 36137-45 (2009) University of Dundee 2D 3D TSV
19827837 52 S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases.EBI J Med Chem 52: 6421-32 (2009) Griffith University 2D 3D TSV
19827834 93 Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.BDB J Med Chem 52: 6362-8 (2009) Vertex 2D 3D TSV
19827831 83 Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes.BDB J Med Chem 52: 6193-6 (2009) Novartis 2D 3D TSV
19827752 8 Preparation and structural, biochemical, and pharmaceutical characterizations of bile acid-modified long-acting exendin-4 derivatives.EBI J Med Chem 52: 6889-96 (2009) SungKyunKwan University 2D 3D TSV
19827751 21 New selective phosphodiesterase 4D inhibitors differently acting on long, short, and supershort isoforms.EBI J Med Chem 52: 6546-57 (2009) University of Genoa 2D 3D TSV
19827750 39 Agonist vs antagonist behavior of delta opioid peptides containing novel phenylalanine analogues in place of Tyr(1).EBI J Med Chem 52: 6941-5 (2009) Clinical Research Institute of Montreal 2D 3D TSV
19827080 10 A fragment-based approach to probing adenosine recognition sites by using dynamic combinatorial chemistry.BDB Chembiochem 10: 2772-9 (2009) University of Cambridge 2D 3D TSV
19824891 36 Carbonic anhydrase inhibitors: glycosylsulfanilamides act as subnanomolar inhibitors of the human secreted isoform VI.BDB Chem Biol Drug Des 74: 636-9 (2009) Institut des Biomolécules Max Mousseron (IBMM) 2D 3D TSV
19824648 19 Synthesis and biological evaluation of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitors based on a thieno[2,3-d]pyrimidin-4(3H)-one core.EBI J Med Chem 52: 6660-71 (2009) FIN-00014 University of Helsinki 2D 3D TSV
19824618 1 Aspergillusol A, an alpha-glucosidase inhibitor from the marine-derived fungus Aspergillus aculeatus.EBI J Nat Prod 72: 2049-52 (2009) Institute and the Center for Environmental Health 2D 3D TSV
19822433 2 Synthesis and radiopharmacological investigation of 3-[4'-[(18)F]fluorobenzylidene]indolin-2-one as possible tyrosine kinase inhibitor.EBI Bioorg Med Chem 17: 7732-42 (2009) Institute of Radiopharmacy 2D 3D TSV
19822432 9 Structure-based virtual screening approach to the discovery of novel inhibitors of factor-inhibiting HIF-1: identification of new chelating groups for the active-site ferrous ion.EBI Bioorg Med Chem 17: 7769-74 (2009) Sejong University 2D 3D TSV
19822431 13 1,3,4-Oxadiazole-2(3H)-thione and its analogues: a new class of non-competitive nucleotide pyrophosphatases/phosphodiesterases 1 inhibitors.EBI Bioorg Med Chem 17: 7816-22 (2009) University of Karachi 2D 3D TSV
19822427 21 Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity.EBI Bioorg Med Chem Lett 19: 6350-2 (2009) Loyola University 2D 3D TSV
19822426 4 Novel N-hydroxybenzamide-based HDAC inhibitors with branched CAP group.EBI Bioorg Med Chem Lett 19: 6284-8 (2009) China Pharmaceutical University 2D 3D TSV
19822424 4 Synthesis and biological evaluation of p38alpha kinase-targeting dialkynylimidazoles.EBI Bioorg Med Chem Lett 19: 6293-7 (2009) The University of Texas at Austin 2D 3D TSV
19821577 178 Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for cocaine addiction.EBI J Med Chem 52: 6768-81 (2009) Research Triangle Institute 2D 3D TSV
19821575 47 Antagonists of the calcium receptor. 2. Amino alcohol-based parathyroid hormone secretagogues.EBI J Med Chem 52: 6599-605 (2009) GlaxoSmithKline 2D 3D TSV
19821572 29 Discovery and validation of a series of aryl sulfonamides as selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP).EBI J Med Chem 52: 6919-25 (2009) Institute for Medical Research 2D 3D TSV
19821563 28 Structure-activity relationships of 9-substituted-9-dihydroerythromycin-based motilin agonists: optimizing for potency and safety.EBI J Med Chem 52: 6851-9 (2009) Kosan Biosciences, Inc. 2D 3D TSV
19821562 34 Discovery and preclinical evaluation of [4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid, (3S)-3-morpholinylmethyl ester (BMS-599626), a selective and orally efficacious inhibitor of human epidermal growth factor receptor 1 and 2 kinases.EBI J Med Chem 52: 6527-30 (2009) Bristol-Myers Squibb Research and Development 2D 3D TSV
19819706 16 Antimalarial and antitrypanosomal activity of a series of amide and sulfonamide derivatives of a 2,5-diaminobenzophenone.EBI Bioorg Med Chem 17: 7690-7 (2009) Philipps-Universit£t Marburg 2D 3D TSV
19819702 8 Removal of the 20-methyl group from 2-methylene-19-nor-(20S)-1alpha,25-dihydroxyvitamin D(3) (2MD) selectively eliminates bone calcium mobilization activity.EBI Bioorg Med Chem 17: 7658-69 (2009) University of Wisconsin-Madison 2D 3D TSV
19819694 2 Identification of iminooxothiazolidines as secreted frizzled related protein-1 inhibitors.EBI Bioorg Med Chem Lett 19: 6337-9 (2009) Wyeth Research 2D 3D TSV
19819693 50 Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors.EBI Bioorg Med Chem Lett 19: 6307-12 (2009) Amgen Inc. 2D 3D TSV
19819692 2 Design and synthesis of a simplified inhibitor for XIAP-BIR3 domain.EBI Bioorg Med Chem Lett 19: 6413-8 (2009) Institute for Medical Research 2D 3D TSV
19819139 28 Syntheses of aminoalcohol-derived macrocycles leading to a small-molecule binder to and inhibitor of Sonic Hedgehog.EBI Bioorg Med Chem Lett 19: 6319-25 (2009) Massachusetts General Hospital 2D 3D TSV
19819046 24 Substituted 2-aminothiopen-derivatives: a potential new class of GluR6-antagonists.EBI Eur J Med Chem 45: 69-77 (2010) Universit£t Leipzig 2D 3D TSV
19818613 43 Optimization of azepanone calcitonin gene-related peptide (CGRP) receptor antagonists: development of novel spiropiperidines.EBI Bioorg Med Chem Lett 19: 6368-72 (2009) Merck Research Laboratories 2D 3D TSV
19818611 100 Rapid access towards follow-up NOP receptor agonists using a knowledge based approach.EBI Bioorg Med Chem Lett 19: 6441-6 (2009) Schering-Plough Research Institute 2D 3D TSV
19817444 45 Identification of a critical residue in the transmembrane domain 2 of tachykinin neurokinin 3 receptor affecting the dissociation kinetics and antagonism mode of osanetant (SR 142801) and piperidine-based structures.EBI J Med Chem 52: 7103-12 (2009) F. Hoffmann-La Roche Ltd. 2D 3D TSV
19817384 2 Phenoxy herbicides and fibrates potently inhibit the human chemosensory receptor subunit T1R3.EBI J Med Chem 52: 6931-5 (2009) Mount Sinai School of Medicine 2D 3D TSV
19815412 34 Synthesis and biological evaluation of pyrrolopyridazine derivatives as novel HER-2 tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 19: 6437-40 (2009) Shanghai Hengrui Pharmaceuticals Co., Ltd. 2D 3D TSV
19815410 23 Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy.EBI Bioorg Med Chem Lett 19: 6376-8 (2009) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
19813747 12 Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks.EBI J Med Chem 52: 7883-6 (2009) University of Bologna 2D 3D TSV
19811924 23 Development of a highly water-soluble peptide-based human neutrophil elastase inhibitor; AE-3763 for treatment of acute organ injury.BDB Bioorg Med Chem 17: 7477-86 (2009) Dainippon Sumitomo Pharma Co 2D 3D TSV
19811916 83 Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents.EBI Bioorg Med Chem Lett 19: 6386-91 (2009) Elan Pharmaceuticals 2D 3D TSV
19811915 11 Pyranocoumarins: a new class of anti-hyperglycemic and anti-dyslipidemic agents.EBI Bioorg Med Chem Lett 19: 6447-51 (2009) Central Drug Research Institute 2D 3D TSV
19811913 52 Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists I: discovery of CCKR1 selectivity in a previously CCKR2-selective lead series.EBI Bioorg Med Chem Lett 19: 6373-5 (2009) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
19810703 102 Knowledge-based characterization of similarity relationships in the human protein-tyrosine phosphatase family for rational inhibitor design.EBI J Med Chem 52: 6649-59 (2009) University of Miami 2D 3D TSV
19810674 93 Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one methanesulfonate (NW-1772) as a highly potent, selective, reversible, and orally active monoamine oxidase B EBI J Med Chem 52: 6685-706 (2009) Universita degli Studi di Bari 2D 3D TSV
19807733 6 Active site ring-opening of a thiirane moiety and picomolar inhibition of gelatinases.BDB Chem Biol Drug Des 74: 527-34 (2009) University of Notre Dame 2D 3D TSV
19807124 8 Chemical library screens targeting an HIV-1 accessory factor/host cell kinase complex identify novel antiretroviral compounds.BDB ACS Chem Biol 4: 939-47 (2009) University of Pittsburgh School of Medicine 2D 3D TSV
19807106 11 7-Hydroxy-benzopyran-4-one derivatives: a novel pharmacophore of peroxisome proliferator-activated receptor alpha and -gamma (PPARalpha and gamma) dual agonists.EBI J Med Chem 52: 6835-50 (2009) The University of Sydney 2D 3D TSV
19807103 14 1,1'-Disubstituted ferrocenes as molecular hinges in mono- and bivalent dopamine receptor ligands.EBI J Med Chem 52: 6860-70 (2009) Friedrich Alexander University 2D 3D TSV
19807094 45 The effects of C-terminal modifications on the opioid activity of [N-benzylTyr(1)]dynorphin A-(1-11) analogues.EBI J Med Chem 52: 6814-21 (2009) University of Kansas 2D 3D TSV
19805567 3 Long-lasting enfuvirtide carrier pentasaccharide conjugates with potent anti-human immunodeficiency virus type 1 activity.EBI Antimicrob Agents Chemother 54: 134-42 (2009) Endotis Pharma 2D 3D TSV
19804982 1 Synthesis and in vitro evaluation of pteridine analogues as monoamine oxidase B and nitric oxide synthase inhibitors.EBI Bioorg Med Chem 17: 7523-30 (2009) North-West University 2D 3D TSV
19804971 63 Discovery and optimization of CRTH2 and DP dual antagonists.EBI Bioorg Med Chem Lett 19: 6419-23 (2009) Amgen Inc. 2D 3D TSV
19804970 7 Design of novel alpha7-subtype-preferring nicotinic acetylcholine receptor agonists: application of docking and MM-PBSA computational approaches, synthetic and pharmacological studies.EBI Bioorg Med Chem Lett 19: 6353-7 (2009) Universit£ degli Studi di Milano 2D 3D TSV
19804969 109 The discovery and optimisation of benzazepine sulfonamide and sulfones as potent agonists of the motilin receptor.EBI Bioorg Med Chem Lett 19: 6452-8 (2009) GlaxoSmithKline 2D 3D TSV
19804894 18 Phosphorylated hydroxyethylamines as novel inhibitors of the bacterial cell wall biosynthesis enzymes MurC to MurF.BDB Bioorg Chem 37: 217-22 (2009) University of Ljubljana 2D 3D TSV
19803524 18 Discovery of selective nonpeptidergic neuropeptide FF2 receptor agonists.EBI J Med Chem 52: 6511-4 (2009) ACADIA Pharmaceuticals AB 2D 3D TSV
19800804 19 Structure-based drug design identifies novel LPA3 antagonists.EBI Bioorg Med Chem 17: 7457-64 (2009) The University of Memphis 2D 3D TSV
19800803 16 Synthesis of isoquinolinone-based tetracycles as poly (ADP-ribose) polymerase-1 (PARP-1) inhibitors.EBI Bioorg Med Chem 17: 7537-41 (2009) Sookmyung Women's University 2D 3D TSV
19800793 15 Synthesis and structure-activity relationships of pyrazolodiazepine derivatives as human P2X7 receptor antagonists.EBI Bioorg Med Chem Lett 19: 6053-8 (2009) Institute of Science& Technology 2D 3D TSV
19800791 98 N,N-Diethyl-4-[(3-hydroxyphenyl)(piperidin-4-yl)amino] benzamide derivatives: the development of diaryl amino piperidines as potent delta opioid receptor agonists with in vivo anti-nociceptive activity in rodent models.EBI Bioorg Med Chem Lett 19: 5994-8 (2009) AstraZeneca R&D Montr£al 2D 3D TSV
19800790 62 Delta agonist hydroxy bioisosteres: the discovery of 3-((1-benzylpiperidin-4-yl){4-[(diethylamino)carbonyl]phenyl}amino)benzamide with improved delta agonist activity and in vitro metabolic stability.EBI Bioorg Med Chem Lett 19: 5999-6003 (2009) AstraZeneca R&D Montr£al 2D 3D TSV
19800788 1 Insights into the inhibition of xanthine oxidase by curcumin.EBI Bioorg Med Chem Lett 19: 5990-3 (2009) Shandong University of Technology 2D 3D TSV
19800787 27 Triazine and pyrimidine based ROCK inhibitors with efficacy in spontaneous hypertensive rat model.EBI Bioorg Med Chem Lett 19: 6027-31 (2009) Ligand Pharmaceuticals, Inc. 2D 3D TSV
19800231 92 Tetrahydroquinoline sulfonamides as vasopressin 1b receptor antagonists.EBI Bioorg Med Chem Lett 19: 6018-22 (2009) Schering-Plough Research Institute 2D 3D TSV
19800229 29 Discovery of 4-functionalized phenyl-O-beta-D-glycosides as a new class of mushroom tyrosinase inhibitors.EBI Bioorg Med Chem Lett 19: 6157-60 (2009) Sun Yat-sen University 2D 3D TSV
19800228 27 Discovery of novel sphingosine kinase 1 inhibitors.EBI Bioorg Med Chem Lett 19: 6119-21 (2009) Genzyme Corporation 2D 3D TSV
19800227 31 Effect of the structure of adenosine mimic of bisubstrate-analog inhibitors on their activity towards basophilic protein kinases.EBI Bioorg Med Chem Lett 19: 6098-101 (2009) University of Tartu 2D 3D TSV
19796944 38 Synthesis and binding affinity of potential atypical antipsychotics with the tetrahydroquinazolinone motif.EBI Bioorg Med Chem Lett 19: 6059-62 (2009) Universidad de Santiago de Compostela 2D 3D TSV
19796941 210 Piperazinyl-glutamate-pyrimidines as potent P2Y12 antagonists for inhibition of platelet aggregation.EBI Bioorg Med Chem Lett 19: 6148-56 (2009) Pfizer Global Research and Development 2D 3D TSV
19796939 20 Carbonic anhydrase II-induced selection of inhibitors from a dynamic combinatorial library of Schiff's bases.EBI Bioorg Med Chem Lett 19: 6014-7 (2009) ENSCM-UMII-CNRS 5635 2D 3D TSV
19791807 18 Evaluation of spirocyclic 3-(3-fluoropropyl)-2-benzofurans as sigma1 receptor ligands for neuroimaging with positron emission tomography.EBI J Med Chem 52: 6062-72 (2009) Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster 2D 3D TSV
19791805 9 Hydroxamic acids as a novel family of serine racemase inhibitors: mechanistic analysis reveals different modes of interaction with the pyridoxal-5'-phosphate cofactor.EBI J Med Chem 52: 6032-41 (2009) Institute of Organic Chemistry and Biochemistry of the ASCR 2D 3D TSV
19791803 8 Modeling, synthesis and biological evaluation of potential retinoid X receptor (RXR) selective agonists: novel analogues of 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic acid (bexarotene).EBI J Med Chem 52: 5950-66 (2009) Arizona State University 2D 3D TSV
19791802 21 Synthesis of 1,1-[1-naphthyloxy-2-thiophenyl]-2-methylaminomethylcyclopropanes and their evaluation as inhibitors of serotonin, norepinephrine, and dopamine transporters.EBI J Med Chem 52: 5872-9 (2009) Oregon State University 2D 3D TSV
19791801 86 Pyridine analogues of nimesulide: design, synthesis, and in vitro and in vivo pharmacological evaluation as promising cyclooxygenase 1 and 2 inhibitors.EBI J Med Chem 52: 5864-71 (2009) University of Liege 2D 3D TSV
19791799 18 RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information.BDB J Med Chem 52: 5781-4 (2009) Gilead Sciences Inc. 2D 3D TSV
19791746 14 Kinase inhibitor data modeling and de novo inhibitor design with fragment approaches.EBI J Med Chem 52: 6456-66 (2009) Eli Lilly and Company Lilly Research Laboratories 2D 3D TSV
19791744 23 Synthesis and biological evaluation of 2-heteroarylthioalkanoic acid analogues of clofibric acid as peroxisome proliferator-activated receptor alpha agonists.EBI J Med Chem 52: 6224-32 (2009) Universit£ degli Studi G. d'Annunzio 2D 3D TSV
19791743 41 Synthesis and structure-activity relationships of cyanoguanidine-type and structurally related histamine H4 receptor agonists.EBI J Med Chem 52: 6297-313 (2009) University of Regensburg 2D 3D TSV
19788246 11 Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new Pim kinase inhibitors.EBI J Med Chem 52: 6369-81 (2009) Clermont Universit£ 2D 3D TSV
19788239 8 Rational design and synthesis of potent dibenzazepine motifs as beta-secretase inhibitors.EBI J Med Chem 52: 6484-8 (2009) University of Sharjah 2D 3D TSV
19788238 36 Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4).EBI J Med Chem 52: 6433-46 (2009) University of Zurich 2D 3D TSV
19788201 32 Pentapeptides displaying mu opioid receptor agonist and delta opioid receptor partial agonist/antagonist properties.EBI J Med Chem 52: 7724-31 (2009) University of Michigan 2D 3D TSV
19788200 7 Further studies on arylpiperazinyl alkyl pyridazinones: discovery of an exceptionally potent, orally active, antinociceptive agent in thermally induced pain.EBI J Med Chem 52: 7397-409 (2009) Dipartimento di Scienze Farmaceutiche 2D 3D TSV
19786348 261 Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists.EBI Bioorg Med Chem Lett 19: 6106-13 (2009) F. Hoffmann-La Roche Ltd 2D 3D TSV
19785436 29 Nanomolar potency pyrimido-pyrrolo-quinoxalinedione CFTR inhibitor reduces cyst size in a polycystic kidney disease model.EBI J Med Chem 52: 6447-55 (2009) University of California 2D 3D TSV
19785435 58 Novel L-xylose derivatives as selective sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes.EBI J Med Chem 52: 6201-4 (2009) Princ 2D 3D TSV
19783444 28 Synthesis and evaluation of novel alpha-heteroaryl-phenylpropanoic acid derivatives as PPARalpha/gamma dual agonists.BDB Bioorg Med Chem 17: 7113-25 (2009) Pfizer 2D 3D TSV
19783435 50 Pyrazole-based arylalkyne cathepsin S inhibitors. Part II: optimization of cellular potency.EBI Bioorg Med Chem Lett 19: 6135-9 (2009) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
19783434 31 Structure-activity relationship study of EphB3 receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 19: 6122-6 (2009) Harvard Medical School 2D 3D TSV
19783143 65 Special ergolines are highly selective, potent antagonists of the chemokine receptor CXCR3: discovery, characterization and preliminary SAR of a promising lead.EBI Bioorg Med Chem Lett 19: 6185-8 (2009) Novartis Institutes for BioMedical Research 2D 3D TSV
19783142 27 Thiazolidinedione derivatives as PTP1B inhibitors with antihyperglycemic and antiobesity effects.EBI Bioorg Med Chem Lett 19: 6161-5 (2009) Inha University 2D 3D TSV
19783139 31 Discovery of 3-(2-cyano-4-pyridyl)-5-(4-pyridyl)-1,2,4-triazole, FYX-051 - a xanthine oxidoreductase inhibitor for the treatment of hyperuricemia [corrected]EBI Bioorg Med Chem Lett 19: 6225-9 (2009) Fuji Yakuhin Co., Ltd 2D 3D TSV
19782572 62 Design, synthesis, and preliminary studies of the activity of novel derivatives of N-cinnamoyl-L-aspartic acid as inhibitors of aminopeptidase N/CD13.EBI Bioorg Med Chem 17: 7398-404 (2009) Shandong University 2D 3D TSV
19782566 30 Optimising metabolic stability in lipophilic chemical space: the identification of a metabolically stable pyrazolopyrimidine CRF-1 receptor antagonist.EBI Bioorg Med Chem Lett 19: 6144-7 (2009) Pfizer Global Research and Development 2D 3D TSV
19782562 10 Isolation of the protein tyrosine phosphatase 1B inhibitory metabolite from the marine-derived fungus Cosmospora sp. SF-5060.EBI Bioorg Med Chem Lett 19: 6095-7 (2009) Silla University 2D 3D TSV
19781951 1 Synthesis and evaluation of benzo[b]thiophene derivatives as inhibitors of alkaline phosphatases.EBI Bioorg Med Chem 17: 7290-300 (2009) Universit£ de Lyon 2D 3D TSV
19781950 113 Discovery and structure-activity relationship analysis of Staphylococcus aureus sortase A inhibitors.BDB Bioorg Med Chem 17: 7174-85 (2009) University of California at Los Angeles 2D 3D TSV
19781947 5 Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors.BDB Bioorg Med Chem 17: 7368-80 (2009) Universite de Lyon 2D 3D TSV
19780074 6 Development of new and selective Trypanosoma cruzi trans-sialidase inhibitors from sulfonamide chalcones and their derivatives.BDB Chembiochem 10: 2475-9 (2009) University of British Columbia 2D 3D TSV
19778024 31 Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development.EBI J Med Chem 52: 7360-3 (2009) Bristol-Myers Squibb Co 2D 3D TSV
19775896 4 Pochonicine, a polyhydroxylated pyrrolizidine alkaloid from fungus Pochonia suchlasporia var. suchlasporia TAMA 87 as a potent beta-N-acetylglucosaminidase inhibitor.EBI Bioorg Med Chem 17: 7248-53 (2009) Okayama University 2D 3D TSV
19775891 16 2-Oxoglutarate analogue inhibitors of prolyl hydroxylase domain 2.EBI Bioorg Med Chem Lett 19: 6192-5 (2009) University of Oxford 2D 3D TSV
19775169 41 New 2-aryloxy-3-phenyl-propanoic acids as peroxisome proliferator-activated receptors alpha/gamma dual agonists with improved potency and reduced adverse effects on skeletal muscle function.EBI J Med Chem 52: 6382-93 (2009) Universit£ degli Studi di Bari 2D 3D TSV
19775168 6 Discovery of azetidinyl ketolides for the treatment of susceptible and multidrug resistant community-acquired respiratory tract infections.EBI J Med Chem 52: 7446-57 (2009) Pfizer Global Research& Development 2D 3D TSV
19775160 79 2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability.EBI J Med Chem 52: 6270-86 (2009) Takeda Pharmaceutical Company, Ltd. 2D 3D TSV
19775099 184 Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhibitors.EBI J Med Chem 52: 6347-61 (2009) Universit£ di Pisa 2D 3D TSV
19773175 41 2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization.EBI Bioorg Med Chem 17: 7186-96 (2009) Johann Wolfgang Goethe-University 2D 3D TSV
19773173 60 Carbonic anhydrase inhibitors. Diazenylbenzenesulfonamides are potent and selective inhibitors of the tumor-associated isozymes IX and XII over the cytosolic isoforms I and II.BDB Bioorg Med Chem 17: 7093-9 (2009) Universita degli Studi di Firenze 2D 3D TSV
19773167 30 Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases.EBI Bioorg Med Chem Lett 19: 6218-21 (2009) University of California 2D 3D TSV
19773165 28 Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.BDB Bioorg Med Chem Lett 19: 6131-4 (2009) Johnson & Johnson Pharmaceutical 2D 3D TSV
19773164 53 Synthesis and structure-activity relationships of 2-(1,4'-bipiperidin-1'-yl)thiazolopyridine as H3 receptor antagonists.EBI Bioorg Med Chem Lett 19: 6176-80 (2009) Schering-Plough Research Institute 2D 3D TSV
19773163 106 Inhibitor profiling of the Pseudomonas aeruginosa virulence factor LasB using N-alpha mercaptoamide template-based inhibitors.EBI Bioorg Med Chem Lett 19: 6230-2 (2009) Queen's University of Belfast 2D 3D TSV
19773162 72 Pyrimidine-based antagonists of h-MCH-R1 derived from ATC0175: in vitro profiling and in vivo evaluation.EBI Bioorg Med Chem Lett 19: 6166-71 (2009) Arena Pharmaceuticals 2D 3D TSV
19772295 5 Potent inhibitors of beta-tryptase and human leukocyte elastase based on the MCoTI-II scaffold.EBI J Med Chem 52: 6197-200 (2009) Imperial College London SW7 2AZ 2D 3D TSV
19772289 3 Potent and selective steroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 7, an enzyme that catalyzes the reduction of the key hormones estrone and dihydrotestosterone.EBI J Med Chem 52: 7488-502 (2009) CHUQ (CHUL) Research Center and Laval University 2D 3D TSV
19772287 67 p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression.EBI J Med Chem 52: 6257-69 (2009) GlaxoSmithKline 2D 3D TSV
19769383 9 An approach to the site-selective diversification of apoptolidin A with peptide-based catalysts.EBI J Nat Prod 72: 1864-9 (2009) Yale University 2D 3D TSV
19769357 93 Structure-guided development of selective TbcatB inhibitors.EBI J Med Chem 52: 6489-93 (2009) University of California 2D 3D TSV
19769332 49 Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activityEBI J Med Chem 52: 7778-87 (2009) Bristol-Myers Squibb Research and Development 2D 3D TSV
19767211 20 Synthesis and structure-activity relationships of dehydroaltenusin derivatives as selective DNA polymerase alpha inhibitors.BDB Bioorg Med Chem 17: 7227-38 (2009) Kyoto Prefectural University 2D 3D TSV
19767208 33 Discovery and optimization of novel 4-[(aminocarbonyl)amino]-N-[4-(2-aminoethyl)phenyl]benzenesulfonamide ghrelin receptor antagonists.EBI Bioorg Med Chem Lett 19: 6237-40 (2009) Merck Research Laboratories 2D 3D TSV
19767207 17 Synthesis and SAR of 2-phenyl-1-sulfonylaminocyclopropane carboxylates as ADAMTS-5 (Aggrecanase-2) inhibitors.EBI Bioorg Med Chem Lett 19: 6213-7 (2009) Central Pharmaceutical Research Institute 2D 3D TSV
19767206 9 Synthesis and in vitro autoradiographic evaluation of a novel high-affinity radioiodinated ligand for imaging brain cannabinoid subtype-1 receptors.EBI Bioorg Med Chem Lett 19: 6209-12 (2009) National Institute of Mental Health 2D 3D TSV
19766010 14 PET-compatible endothelin receptor radioligands: synthesis and first in vitro and in vivo studies.EBI Bioorg Med Chem 17: 7197-208 (2009) University Hospital M£nster 2D 3D TSV
19764794 60 Selective inhibitors of the mutant B-Raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.BDB J Med Chem 52: 6189-92 (2009) Amgen 2D 3D TSV
19762245 69 The biological activity and metabolic stability of peptidic bifunctional compounds that are opioid receptor agonists and neurokinin-1 receptor antagonists with a cystine moiety.EBI Bioorg Med Chem 17: 7337-43 (2009) University of Arizona 2D 3D TSV
19762243 10 Design, synthesis and evaluation of monovalent ligands for the asialoglycoprotein receptor (ASGP-R).EBI Bioorg Med Chem 17: 7254-64 (2009) University of Basel 2D 3D TSV
19762240 62 The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction.EBI Bioorg Med Chem Lett 19: 5940-4 (2009) F. Hoffmann-La Roche Ltd 2D 3D TSV
19762239 18 Structure-activity relationship study on alpha1 adrenergic receptor antagonists from beer.EBI Bioorg Med Chem Lett 19: 5905-8 (2009) University of Shizuoka and Global COE Program 2D 3D TSV
19762238 78 Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs).EBI Bioorg Med Chem Lett 19: 5887-92 (2009) Cytopia Research Pty Ltd 2D 3D TSV
19762237 58 First generation 5-vinyl-3-pyridinecarbonitrile PKCtheta inhibitors.EBI Bioorg Med Chem Lett 19: 5829-32 (2009) Wyeth Research 2D 3D TSV
19762236 9 The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase.EBI Bioorg Med Chem Lett 19: 5950-3 (2009) KuDOS Pharmaceuticals Ltd 2D 3D TSV
19762234 24 Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors.EBI Bioorg Med Chem Lett 19: 5909-12 (2009) Daiichi Sankyo Co., Ltd 2D 3D TSV
19762126 16 Synthesis and pharmacological evaluation of sulfamide-based analogues of anandamide.EBI Eur J Med Chem 44: 4889-95 (2009) Instituto de Qu£mica M£dica 2D 3D TSV
19761212 76 Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis.EBI J Med Chem 52: 6474-83 (2009) National Human Genome Research Institute 2D 3D TSV
19758809 66 Benzamide derivatives as dual-action hypoglycemic agents that inhibit glycogen phosphorylase and activate glucokinase.BDB Bioorg Med Chem 17: 7301-12 (2009) Shanghai Institutes for Biological Sciences 2D 3D TSV
19758807 23 Indene-based frameworks targeting the 5-HT6 serotonin receptor: ring constraint in indenylsulfonamides using cyclic amines and structurally abbreviated counterparts.BDB Bioorg Med Chem 17: 7387-97 (2009) Universitat de Barcelona 2D 3D TSV
19758802 56 Design and synthesis of substituted nicotinamides as inhibitors of soluble epoxide hydrolase.EBI Bioorg Med Chem Lett 19: 5864-8 (2009) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
19757839 26 The replacement of His(4) in angiotensin IV by conformationally constrained residues provides highly potent and selective analogues.EBI J Med Chem 52: 5612-8 (2009) Vrije Universiteit Brussel 2D 3D TSV
19757823 98 Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors.EBI J Med Chem 52: 6314-23 (2009) Wyeth Research 2D 3D TSV
19754201 2 Physical binding pocket induction for affinity prediction.EBI J Med Chem 52: 6107-25 (2009) University of California 2D 3D TSV
19754199 29 Identification of N-(5-tert-butyl-isoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea dihydrochloride (AC220), a uniquely potent, selective, and efficacious FMS-like tyrosine kinase-3 (FLT3) inhibitor.EBI J Med Chem 52: 7808-16 (2009) Ambit Biosciences 2D 3D TSV
19754198 5 Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins.EBI J Med Chem 52: 6024-31 (2009) University of Minnesota 2D 3D TSV
19751980 26 3- and 6-Substituted 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridines as A1 adenosine receptor allosteric modulators and antagonists.EBI Bioorg Med Chem 17: 7353-61 (2009) Monash University (Parkville Campus) 2D 3D TSV
19751975 6 The proteoglycan region of the tumor-associated carbonic anhydrase isoform IX acts as anintrinsic buffer optimizing CO2 hydration at acidic pH values characteristic of solid tumors.EBI Bioorg Med Chem Lett 19: 5825-8 (2009) Universita degli Studi di Firenze 2D 3D TSV
19751974 81 Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase.EBI Bioorg Med Chem Lett 19: 5851-6 (2009) Pfizer Corporation 2D 3D TSV
19748785 115 Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors.BDB Bioorg Med Chem 17: 7324-36 (2009) Duquesne University 2D 3D TSV
19748783 52 Thienopyrimidine-based P2Y12 platelet aggregation inhibitors.EBI Bioorg Med Chem Lett 19: 5919-23 (2009) Pfizer Global Research and Development 2D 3D TSV
19748780 70 Discovery of disubstituted phenanthrene imidazoles as potent, selective and orally active mPGES-1 inhibitors.EBI Bioorg Med Chem Lett 19: 5837-41 (2009) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
19748778 3 Pyrazole NNRTIs 4: selection of UK-453,061 (lersivirine) as a development candidate.EBI Bioorg Med Chem Lett 19: 5857-60 (2009) Pfizer Global Research and Development 2D 3D TSV
19748274 25 Tetraiodobenzimidazoles are potent inhibitors of protein kinase CK2.BDB Bioorg Med Chem 17: 7281-9 (2009) University of Padova 2D 3D TSV
19748269 21 Phosphoinositide-3-kinase (PI3K) inhibitors: identification of new scaffolds using virtual screening.EBI Bioorg Med Chem Lett 19: 5842-7 (2009) University of Auckland 2D 3D TSV
19747834 44 Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools.EBI Bioorg Med Chem 17: 6914-25 (2009) Instituto de Qu£mica M£dica-CSIC 2D 3D TSV
19747833 15 Novel 7H-pyrrolo[2,3-d]pyrimidine derivatives as potent and orally active STAT6 inhibitors.EBI Bioorg Med Chem 17: 6926-36 (2009) Astellas Pharma Inc. 2D 3D TSV
19746979 2 Allosteric functional switch of neurokinin A-mediated signaling at the neurokinin NK2 receptor: structural exploration.EBI J Med Chem 52: 5999-6011 (2009) UMR UdS/CNRS 7200 2D 3D TSV
19746975 67 Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase.EBI J Med Chem 52: 5880-95 (2009) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
19746963 43 Design, synthesis, protein-ligand X-ray structure, and biological evaluation of a series of novel macrocyclic human immunodeficiency virus-1 protease inhibitors to combat drug resistance.BDB J Med Chem 52: 7689-705 (2009) Purdue University 2D 3D TSV
19746934 6 Discovery of new inhibitors of resistant Streptococcus pneumoniae penicillin binding protein (PBP) 2x by structure-based virtual screening.EBI J Med Chem 52: 5926-36 (2009) Institut de Biologie Structurale Jean-Pierre Ebel (CEA/CNRS/UJF) 2D 3D TSV
19744860 19 Synthesis and biological evaluation of novel phthalazinone derivatives as topically active phosphodiesterase 4 inhibitors.EBI Bioorg Med Chem 17: 6959-70 (2009) Kyoto 601-8550 2D 3D TSV
19744859 90 Dibenzazecine scaffold rebuilding--is the flexibility always essential for high dopamine receptor affinities?EBI Bioorg Med Chem 17: 6898-907 (2009) Friedrich-Schiller-Universit£t Jena 2D 3D TSV
19743875 5 Characterization of the CHK1 allosteric inhibitor binding site.BDB Biochemistry 48: 9823-30 (2009) Pfizer 2D 3D TSV
19743867 51 Discovery of 1-[4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl]-1-morpholin-4-ylmethanone (GSK554418A), a brain penetrant 5-azaindole CB2 agonist for the treatment of chronic pain.EBI J Med Chem 52: 5785-8 (2009) GlaxoSmithKline 2D 3D TSV
19743866 16 Structure-activity relationships for substrate-based inhibitors of human complement factor B.EBI J Med Chem 52: 6042-52 (2009) The University of Queensland 2D 3D TSV
19743865 22 2-Phenylpyrazolo[4,3-d]pyrimidin-7-one as a new scaffold to obtain potent and selective human A3 adenosine receptor antagonists: new insights into the receptor-antagonist recognition.EBI J Med Chem 52: 7640-52 (2009) Universit£ di Firenze 2D 3D TSV
19743858 6 Structure-activity relationship and molecular mechanisms of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4h-chromene-3-carboxylate (sha 14-1) and its analogues.EBI J Med Chem 52: 5937-49 (2009) University of Minnesota 2D 3D TSV
19740668 48 Inhibition of serotonin and norepinephrine reuptake and inhibition of phosphodiesterase by multi-target inhibitors as potential agents for depression.EBI Bioorg Med Chem 17: 6890-7 (2009) Human BioMolecular Research Institute 2D 3D TSV
19740659 82 Potent biphenyl- and 3-phenyl pyridine-based inhibitors of acetyl-CoA carboxylase.EBI Bioorg Med Chem Lett 19: 5872-6 (2009) Bristol-Myers Squibb Research and Development 2D 3D TSV
19740658 73 Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: part 2.EBI Bioorg Med Chem Lett 19: 5893-7 (2009) Pfizer Global Research and Development 2D 3D TSV
19740657 42 Imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepines as potent and highly selective GABAA alpha5 inverse agonists with potential for the treatment of cognitive dysfunction.EBI Bioorg Med Chem Lett 19: 5958-61 (2009) F. Hoffmann-La Roche Ltd 2D 3D TSV
19740654 1 Amiodarone and its putative metabolites fail to activate wild type hTAAR1.EBI Bioorg Med Chem Lett 19: 5913-4 (2009) RTI International 2D 3D TSV
19739674 39 Identification of novel indanylsulfonamide guanylhydrazones as potent 5-HT6 serotonin receptor antagonists.EBI J Med Chem 52: 6153-7 (2009) Universitat de Barcelona 2D 3D TSV
19739672 2 Synthesis, conformational analysis, and biological evaluation of 19-nor-vitamin D3 analogues with A-ring modifications.EBI J Med Chem 52: 6158-62 (2009) Universidad de Oviedo 2D 3D TSV
19739647 52 5-lipoxygenase-activating protein inhibitors: development of 3-[3-tert-butylsulfanyl-1-[4-(6-methoxy-pyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM103).EBI J Med Chem 52: 5803-15 (2009) Amira Pharmaceuticals 2D 3D TSV
19736928 16 Rapid generation of a high quality lead for transforming growth factor-beta (TGF-beta) type I receptor (ALK5).BDB J Med Chem 52: 7901-5 (2009) AstraZeneca 2D 3D TSV
19736020 32 The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators.EBI Bioorg Med Chem 17: 7042-51 (2009) Banyu Tsukuba Research Institute 2D 3D TSV
19736007 31 Novel pyridine derivatives as potent and selective CB2 cannabinoid receptor agonists.EBI Bioorg Med Chem Lett 19: 5931-5 (2009) Adolor Corporation 2D 3D TSV
19734911 20 Augmented photoswitching modulates immune signaling.EBI Nat Chem Biol 5: 724-6 (2009) Max Planck Research Unit for Enzymology of Protein Folding 2D 3D TSV
19734051 17 Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain.EBI Bioorg Med Chem 17: 6983-92 (2009) The University of Texas 2D 3D TSV
19734050 38 Identification and characterization of novel sirtuin inhibitor scaffolds.EBI Bioorg Med Chem 17: 7031-41 (2009) Institute 2D 3D TSV
19733070 8 Selective inactivation of triosephosphate isomerase from Trypanosoma cruzi by brevifolin carboxylate derivatives isolated from Geranium bellum Rose.EBI Bioorg Med Chem Lett 19: 5936-9 (2009) Universidad Aut£noma del Estado de Hidalgo 2D 3D TSV
19733067 84 Discovery and optimization of potent and selective functional antagonists of the human adenosine A2B receptor.EBI Bioorg Med Chem Lett 19: 5945-9 (2009) Vernalis (R&D) Ltd 2D 3D TSV
19733066 25 Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR.EBI Bioorg Med Chem Lett 19: 5898-901 (2009) KuDOS Pharmaceuticals Ltd 2D 3D TSV
19731961 127 Nonpeptide urotensin-II receptor antagonists: a new ligand class based on piperazino-phthalimide and piperazino-isoindolinone subunits.EBI J Med Chem 52: 7432-45 (2009) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
19731956 72 Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors.BDB J Med Chem 52: 5990-8 (2009) CNR 2D 3D TSV
19731939 8 Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.EBI J Med Chem 52: 6097-106 (2009) University of Oxford 2D 3D TSV
19729316 14 Neuraminidase inhibitory activities of flavonols isolated from Rhodiola rosea roots and their in vitro anti-influenza viral activities.EBI Bioorg Med Chem 17: 6816-23 (2009) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
19729315 8 Identification of small molecule regulators of the nuclear receptor HNF4alpha based on naphthofuran scaffolds.EBI Bioorg Med Chem 17: 7021-30 (2009) Universit£ de Rennes 1 2D 3D TSV
19729306 15 Structure-based design of novel human Pin1 inhibitors (I).BDB Bioorg Med Chem Lett 19: 5613-6 (2009) Pfizer 2D 3D TSV
19728728 50 Structure-affinity relationships of glutamine mimics incorporated into phosphopeptides targeted to the SH2 domain of signal transducer and activator of transcription 3.EBI J Med Chem 52: 6126-41 (2009) The University of Texas M. D. Anderson Cancer Center 2D 3D TSV
19726200 37 Synthesis of heteroaromatic tropeines and heterogeneous binding to glycine receptors.EBI Bioorg Med Chem 17: 6872-8 (2009) Hungarian Academy of Sciences 2D 3D TSV
19726199 30 Rational design and synthesis of highly potent anti-acetylcholinesterase activity huperzine A derivatives.EBI Bioorg Med Chem 17: 6937-41 (2009) The Chinese Academy of Sciences 2D 3D TSV
19726184 62 Discovery of the imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepine scaffold as a novel, potent and selective GABA(A) alpha5 inverse agonist series.EBI Bioorg Med Chem Lett 19: 5746-52 (2009) F. Hoffmann-La Roche Ltd 2D 3D TSV
19726182 60 Discovery and structure-activity relationships of a novel class of quinazoline glucokinase activators.EBI Bioorg Med Chem Lett 19: 5531-8 (2009) Banyu Tsukuba Research Institute 2D 3D TSV
19726112 76 Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure.EBI Eur J Med Chem 44: 4826-40 (2009) Central University of Las Villas 2D 3D TSV
19725580 93 Identification of an orally efficacious matrix metalloprotease 12 inhibitor for potential treatment of asthma.EBI J Med Chem 52: 5408-19 (2009) Wyeth Research 2D 3D TSV
19725578 20 Modulation of multidrug resistance protein 1 (MRP1/ABCC1)-mediated multidrug resistance by bivalent apigenin homodimers and their derivatives.EBI J Med Chem 52: 5311-22 (2009) The Hong Kong Polytechnic University 2D 3D TSV
19722526 30 Design and evaluation of novel biphenyl sulfonamide derivatives with potent histamine H(3) receptor inverse agonist activity.EBI J Med Chem 52: 5603-11 (2009) Arena Pharmaceuticals 2D 3D TSV
19722525 31 1- or 3-(3-Amino-2-hydroxy-1-phenyl propyl)-1,3-dihydro-2H-benzimidazol-2-ones: potent, selective, and orally efficacious norepinephrine reuptake inhibitors.EBI J Med Chem 52: 5703-11 (2009) Wyeth Research 2D 3D TSV
19721074 1 Nonclinical pharmacokinetics of oseltamivir and oseltamivir carboxylate in the central nervous system.EBI Antimicrob Agents Chemother 53: 4753-61 (2009) F. Hoffmann-La Roche Ltd. 2D 3D TSV
19720539 32 Discovery of trans-N-[1-(2-fluorophenyl)-3-pyrazolyl]-3-oxospiro[6-azaisobenzofuran-1(3H),1'-cyclohexane]-4'-carboxamide, a potent and orally active neuropeptide Y Y5 receptor antagonist.EBI Bioorg Med Chem 17: 6971-82 (2009) Tsukuba Research Institute 2D 3D TSV
19720531 7 Potent small molecule mouse CD22-inhibitors: exploring the interaction of the residue at C-2 of sialic acid scaffold.EBI Bioorg Med Chem Lett 19: 5573-5 (2009) Gifu University 2D 3D TSV
19720528 54 Tetrahydrocarbazole-based serotonin reuptake inhibitor/dopamine D2 partial agonists for the potential treatment of schizophrenia.EBI Bioorg Med Chem Lett 19: 5552-5 (2009) Wyeth Research 2D 3D TSV
19719242 13 Arylpyrrolizines as inhibitors of microsomal prostaglandin E2 synthase-1 (mPGES-1) or as dual inhibitors of mPGES-1 and 5-lipoxygenase (5-LOX).EBI J Med Chem 52: 4968-72 (2009) Eberhard Karls University Tuebingen 2D 3D TSV
19719241 55 Synthesis, potency, and in vivo evaluation of 2-piperazin-1-ylquinoline analogues as dual serotonin reuptake inhibitors and serotonin 5-HT1A receptor antagonists.EBI J Med Chem 52: 4955-9 (2009) Wyeth Research 2D 3D TSV
19719240 25 Doxazosin-related alpha1-adrenoceptor antagonists with prostate antitumor activity.EBI J Med Chem 52: 4951-4 (2009) University of Camerino 2D 3D TSV
19719239 108 Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents.BDB J Med Chem 52: 4892-902 (2009) Duquesne University 2D 3D TSV
19719236 23 Activation of peroxisome proliferator-activated receptor gamma (PPARgamma) by nitroalkene fatty acids: importance of nitration position and degree of unsaturation.EBI J Med Chem 52: 4631-9 (2009) Wake Forest University 2D 3D TSV
19719235 19 Synthesis, in vitro and in vivo evaluation, and radiolabeling of aryl anandamide analogues as candidate radioligands for in vivo imaging of fatty acid amide hydrolase in the brain.EBI J Med Chem 52: 4613-22 (2009) Ghent University 2D 3D TSV
19717305 3 Synthesis of organophosphates with fluorine-containing leaving groups as serine esterase inhibitors with potential for Alzheimer disease therapeutics.EBI Bioorg Med Chem Lett 19: 5528-30 (2009) Institute of Physiologically Active Compounds Russian Academy of Sciences 2D 3D TSV
19717304 29 The discovery of tertiary-amine LXR agonists with potent cholesterol efflux activity in macrophages.EBI Bioorg Med Chem Lett 19: 5617-21 (2009) GlaxoSmithKline 2D 3D TSV
19717215 56 Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents.EBI Eur J Med Chem 44: 4862-88 (2009) Trinity College 2D 3D TSV
19717214 28 Synthesis and pharmacological evaluation of novel N-alkyl/aryl substituted thiazolidinone arecoline analogues as muscarinic receptor 1 agonist in Alzheimer's dementia models.EBI Eur J Med Chem 44: 4848-54 (2009) University of Mysore 2D 3D TSV
19716698 35 Synthesis and in vitro evaluation of 2,4-diamino-1,3,5-triazine derivatives as neuronal voltage-gated sodium channel blockers.EBI Bioorg Med Chem Lett 19: 5644-7 (2009) National University of Singapore 2D 3D TSV
19716697 110 The discovery of thienopyridine analogues as potent IkappaB kinase beta inhibitors. Part II.EBI Bioorg Med Chem Lett 19: 5547-51 (2009) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
19716475 20 Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD.BDB Chem Biol 16: 849-61 (2009) Burnham Institute for Medical Research 2D 3D TSV
19716306 6 Substrate specificity effects of lipoxygenase products and inhibitors on soybean lipoxygenase-1.EBI Bioorg Med Chem 17: 6534-9 (2009) University of California 2D 3D TSV
19716297 45 Design and synthesis of pyridazinone-based 5-HT(2C) agonists.EBI Bioorg Med Chem Lett 19: 5791-5 (2009) Pfizer Global Research and Development 2D 3D TSV
19716296 32 GDC-0449-a potent inhibitor of the hedgehog pathway.EBI Bioorg Med Chem Lett 19: 5576-81 (2009) Genentech 2D 3D TSV
19716294 6 The first Hes1 dimer inhibitors from natural products.EBI Bioorg Med Chem Lett 19: 5778-81 (2009) Chiba University 2D 3D TSV
19716293 22 Structure-activity relationship of isoform selective inhibitors of Rac1/1b GTPase nucleotide binding.EBI Bioorg Med Chem Lett 19: 5594-8 (2009) Exonhit Therapeutics 2D 3D TSV
19715342 19 On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences.EBI J Med Chem 52: 5662-72 (2009) University of Duisburg-Essen 2D 3D TSV
19715320 87 Grassystatins A-C from marine cyanobacteria, potent cathepsin E inhibitors that reduce antigen presentation.EBI J Med Chem 52: 5732-47 (2009) University of Florida 2D 3D TSV
19715279 20 Design, synthesis, and pharmacological activities of dynorphin A analogues cyclized by ring-closing metathesis.EBI J Med Chem 52: 5619-25 (2009) The University of Kansas 2D 3D TSV
19713115 3 Inhibition of ribonuclease A by nucleoside-dibasic acid conjugates.EBI Bioorg Med Chem 17: 6491-5 (2009) Institute of Technology 2D 3D TSV
19713111 31 Discovery of N-{N-[(3-cyanobenzene) sulfonyl]-4(R)-(3,3-difluoropiperidin-1-yl)-(l)-prolyl}-4-[(3',5'-dichloro-isonicotinoyl) amino]-(l)-phenylalanine (MK-0617), a highly potent and orally active VLA-4 antagonist.EBI Bioorg Med Chem Lett 19: 5803-6 (2009) Merck Research Laboratories 2D 3D TSV
19713110 27 Design, synthesis, and evaluation of novel 3-amino-4-hydrazine-cyclobut-3-ene-1,2-diones as potent and selective CXCR2 chemokine receptor antagonists.EBI Bioorg Med Chem Lett 19: 5741-5 (2009) WuXi PharmaTech Co. Ltd 2D 3D TSV
19713107 7 Structure-activity studies on seco-pancratistatin analogs: potent inhibitors of human cytochrome P450 3A4.EBI Bioorg Med Chem Lett 19: 5607-12 (2009) McMaster University 2D 3D TSV
19713106 66 Structure-activity relationships of the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ol series of monoamine reuptake inhibitors.EBI Bioorg Med Chem Lett 19: 5807-10 (2009) Wyeth Research 2D 3D TSV
19711986 9 Matrix metalloproteinase-2 inhibitors from Clinopodium chinense var. parviflorum.EBI J Nat Prod 72: 1379-84 (2009) Tohoku Pharmaceutical University 2D 3D TSV
19709887 25 Novel 2H-isoquinolin-3-ones as antiplasmodial falcipain-2 inhibitors.EBI Bioorg Med Chem 17: 6505-11 (2009) Universit£ di Messina 2D 3D TSV
19709881 13 Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides.EBI Bioorg Med Chem Lett 19: 5652-6 (2009) Roche Palo Alto LLC 2D 3D TSV
19709783 22 Synthesis of sigma receptor ligands with unsymmetrical spiro connection of the piperidine moiety.EBI Eur J Med Chem 44: 4306-14 (2009) Institut f£r Pharmazeutische und Medizinische Chemie 2D 3D TSV
19708767 3 Conferin, potent antioxidant and anti-inflammatory isoflavone from Caragana conferta Benth.BDB J Enzyme Inhib Med Chem 25: 440-4 (2010) University of Karachi 2D 3D TSV
19708663 3 N-hydroxybenzimidazole inhibitors of the transcription factor LcrF in Yersinia: novel antivirulence agents.EBI J Med Chem 52: 5626-34 (2009) Paratek Pharmaceuticals, Inc. 2D 3D TSV
19705871 14 Synthesis and characterization of environment-sensitive fluorescent ligands for human 5-HT1A receptors with 1-arylpiperazine structure.EBI J Med Chem 52: 7892-6 (2009) Universita degli Studi di Bari 2D 3D TSV
19705860 2 Isoflavonoids from Erythrina poeppigiana: evaluation of their binding affinity for the estrogen receptor.EBI J Nat Prod 72: 1603-7 (2009) University of Athens 2D 3D TSV
19705846 100 Discovery of potent and selective histone deacetylase inhibitors via focused combinatorial libraries of cyclic alpha3beta-tetrapeptides.EBI J Med Chem 52: 7836-46 (2009) The Scripps Research Institute 2D 3D TSV
19703777 12 Synthesis and glycogen phosphorylase inhibitory activity of N-(beta-D-glucopyranosyl)amides possessing 1,4-benzodioxane moiety.EBI Bioorg Med Chem 17: 6738-41 (2009) University of Debrecen 2D 3D TSV
19703775 24 Synthesis and biological evaluation of 4-fluoroproline and 4-fluoropyrrolidine-2-acetic acid derivatives as new GABA uptake inhibitors.EBI Bioorg Med Chem 17: 6540-6 (2009) Institute of Microbiology 2D 3D TSV
19703774 56 C-5 substituted heteroaryl-3-pyridinecarbonitriles as PKCtheta inhibitors: part II.EBI Bioorg Med Chem Lett 19: 5799-802 (2009) Wyeth Research 2D 3D TSV
19703773 63 The identification of beta-hydroxy carboxylic acids as selective MMP-12 inhibitors.EBI Bioorg Med Chem Lett 19: 5760-3 (2009) GSK Medicines Research Centre 2D 3D TSV
19703771 6 Pharmacophore-guided lead optimization: the rational design of a non-zinc coordinating, sub-micromolar inhibitor of the botulinum neurotoxin serotype a metalloprotease.EBI Bioorg Med Chem Lett 19: 5811-3 (2009) National Cancer Institute at Frederick 2D 3D TSV
19703770 32 Structure-activity relationship and improved hydrolytic stability of pyrazole derivatives that are allosteric inhibitors of West Nile Virus NS2B-NS3 proteinase.EBI Bioorg Med Chem Lett 19: 5773-7 (2009) Conrad Prebys Center for Chemical Genomics 2D 3D TSV
19703768 63 Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA).EBI Bioorg Med Chem Lett 19: 5712-5 (2009) Berlex Biosciences 2D 3D TSV
19703767 34 Novel CGRP receptor antagonists through a design strategy of target simplification with addition of molecular flexibility.EBI Bioorg Med Chem Lett 19: 5787-90 (2009) Merck& Co. 2D 3D TSV
19703036 15 Antiproliferative activity against MCF-7 breast cancer cells by diamino-triazaspirodiene antifolates.BDB Chem Biol Drug Des 74: 322-6 (2009) National University of Singapore 2D 3D TSV
19703035 60 Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates?BDB Chem Biol Drug Des 74: 317-21 (2009) Istituto di Biostrutture e Bioimmagini-CNR 2D 3D TSV
19703027 5 In silico screening for non-nucleoside HIV-1 reverse transcriptase inhibitors using physicochemical filters and high-throughput docking followed by in vitro evaluation.BDB Chem Biol Drug Des 74: 258-65 (2009) University of Jordan 2D 3D TSV
19702283 1 Chemical Constituents of the Roots of Euphorbia micractina.EBI J Nat Prod 72: 1620-6 (2009) Chinese Academy of Medical Sciences and Peking Union Medical College (Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine 2D 3D TSV
19702274 31 Eleven amino acid glucagon-like peptide-1 receptor agonists with antidiabetic activity.EBI J Med Chem 52: 7788-99 (2009) Bristol-Myers Squibb Company Research& Development 2D 3D TSV
19700331 76 Discovery of a series of acrylic acids and their derivatives as chemical leads for selective EP3 receptor antagonists.BDB Bioorg Med Chem 17: 6567-82 (2009) Ono Pharmaceutical Co., Ltd 2D 3D TSV
19700330 36 Synthesis, structure-affinity relationships, and modeling of AMDA analogs at 5-HT2A and H1 receptors: structural factors contributing to selectivity.BDB Bioorg Med Chem 17: 6496-504 (2009) Virginia Commonwealth University 2D 3D TSV
19700325 46 mu-Opioid/5-HT4 dual pharmacologically active agents-efforts towards an effective opioid analgesic with less GI and respiratory side effects (Part I).EBI Bioorg Med Chem Lett 19: 5679-83 (2009) Sepracor Inc. 2D 3D TSV
19700324 6 Identification of a cell-active non-peptide sirtuin inhibitor containing N-thioacetyl lysine.EBI Bioorg Med Chem Lett 19: 5670-2 (2009) Nagoya City University 2D 3D TSV
19700321 29 Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease.EBI Bioorg Med Chem Lett 19: 5703-7 (2009) Pfizer Inc. 2D 3D TSV
19700320 2 Amplification of the inhibitory activity of miglitol by monofluorination.EBI Bioorg Med Chem Lett 19: 5673-4 (2009) Martin-Luther-Universit£t Halle-Wittenberg 2D 3D TSV
19700319 19 Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids.EBI Bioorg Med Chem Lett 19: 5648-51 (2009) Roche Palo Alto LLC 2D 3D TSV
19700318 6 O-Spiro C-aryl glucosides as novel sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors.EBI Bioorg Med Chem Lett 19: 5632-5 (2009) Chinese Academy of Sciences 2D 3D TSV
19700315 68 A strategy of employing aminoheterocycles as amide mimics to identify novel, potent and bioavailable soluble epoxide hydrolase inhibitors.EBI Bioorg Med Chem Lett 19: 5716-21 (2009) Merck Research Laboratories 2D 3D TSV
19700314 1 Design, synthesis, screening, and molecular modeling study of a new series of ROS1 receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 19: 5622-6 (2009) University of Science and Technology 2D 3D TSV
19700313 4 Kojic acid-amino acid conjugates as tyrosinase inhibitors.EBI Bioorg Med Chem Lett 19: 5586-9 (2009) Seoul National University 2D 3D TSV
19699645 12 Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase.BDB Bioorg Med Chem 17: 6613-9 (2009) Northern Kentucky University 2D 3D TSV
19699641 145 Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum.EBI Bioorg Med Chem Lett 19: 5657-60 (2009) Institute Infectious Diseases Initiative 2D 3D TSV
19699640 12 Synthesis and SAR of 1,4,5,6-tetrahydropyridazines as potent cannabinoid CB1 receptor antagonists.EBI Bioorg Med Chem Lett 19: 5675-8 (2009) Solvay Pharma 2D 3D TSV
19699639 58 Diphenylmethylene hydroxamic acids as selective class IIa histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 19: 5684-8 (2009) MethylGene Inc. 2D 3D TSV
19695884 156 Antagonists of the human A(2A) receptor. Part 6: Further optimization of pyrimidine-4-carboxamides.BDB Bioorg Med Chem 17: 6590-605 (2009) Vernalis (R&D) Ltd 2D 3D TSV
19695883 9 Identification of new agonists of urotensin-II from a cyclic peptide library.EBI Bioorg Med Chem 17: 6742-7 (2009) PRISM Bio. Lab. Corporation 2D 3D TSV
19694469 3 Synthesis and evaluation of a full-agonist orvinol for PET-imaging of opioid receptors: [11C]PEO.EBI J Med Chem 52: 5586-9 (2009) Biomedizinische Forschungsreagenzien GmbH 2D 3D TSV
19694468 136 Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) benzamide (ADL5747).EBI J Med Chem 52: 5685-702 (2009) Adolor Corporation 2D 3D TSV
19694467 1 Recent advances in the identification of gamma-secretase inhibitors to clinically test the Abeta oligomer hypothesis of Alzheimer's disease.EBI J Med Chem 52: 6169-88 (2009) Wyeth Research 2D 3D TSV
19692250 52 Design, synthesis and evaluation of flavonoid derivatives as potent AChE inhibitors.EBI Bioorg Med Chem 17: 6692-8 (2009) Zhejiang University 2D 3D TSV
19692248 5 A new structural class of S-adenosylhomocysteine hydrolase inhibitors.EBI Bioorg Med Chem 17: 6707-14 (2009) Boston College 2D 3D TSV
19692247 295 Substituted 2-arylbenzothiazoles as kinase inhibitors: hit-to-lead optimization.EBI Bioorg Med Chem 17: 6728-37 (2009) 4SC AG 2D 3D TSV
19692242 30 Discovery and biological profile of isoindolinone derivatives as novel metabotropic glutamate receptor 1 antagonists: a potential treatment for psychotic disorders.EBI Bioorg Med Chem Lett 19: 5310-3 (2009) Tsukuba Research Institute 2D 3D TSV
19692241 36 Design and synthesis of piperazinylpyrimidinones as novel selective 5-HT(2C) agonists.EBI Bioorg Med Chem Lett 19: 5346-50 (2009) Pfizer Global Research and Development 2D 3D TSV
19692239 23 Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors.BDB Bioorg Med Chem Lett 19: 5321-4 (2009) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
19691347 24 Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach.EBI J Med Chem 52: 5295-8 (2009) East China University of Science and Technology 2D 3D TSV
19691331 40 Pyrrolidine analogues of lobelane: relationship of affinity for the dihydrotetrabenazine binding site with function of the vesicular monoamine transporter 2 (VMAT2).EBI J Med Chem 52: 7878-82 (2009) University of Kentucky 2D 3D TSV
19690175 25 Chemical interrogation of FOXO3a nuclear translocation identifies potent and selective inhibitors of phosphoinositide 3-kinases.BDB J Biol Chem 284: 28392-400 (2009) Spanish National Cancer Research Center (CNIO) 2D 3D TSV
19689106 4 Minor furanocoumarins and coumarins in grapefruit peel oil as inhibitors of human cytochrome P450 3A4.EBI J Nat Prod 72: 1702-4 (2009) University of Sao Paulo State 2D 3D TSV
19683931 2 A critical electrostatic interaction mediates inhibitor recognition by human asparagine synthetase.EBI Bioorg Med Chem 17: 6641-50 (2009) Kyoto University 2D 3D TSV
19683924 18 Pyrrole[2,3-d]azepino compounds as agonists of the farnesoid X receptor (FXR).EBI Bioorg Med Chem Lett 19: 5289-92 (2009) Wyeth Research 2D 3D TSV
19683922 70 5-(2-Pyrimidinyl)-imidazo[1,2-a]pyridines are antibacterial agents targeting the ATPase domains of DNA gyrase and topoisomerase IV.EBI Bioorg Med Chem Lett 19: 5302-6 (2009) Pfizer Inc. 2D 3D TSV
19683918 36 Bioisosteric replacement of the hydrazide pharmacophore of the cannabinoid-1 receptor antagonist SR141716A. Part I: potent, orally-active 1,4-disubstituted imidazoles.EBI Bioorg Med Chem Lett 19: 5351-4 (2009) Pfizer Global Research and Development 2D 3D TSV
19683843 16 Reactivity of isothiazolones and isothiazolone-1-oxides in the inhibition of the PCAF histone acetyltransferase.EBI Eur J Med Chem 44: 4855-61 (2009) University of Groningen 2D 3D TSV
19683842 27 Novel cyclic-imide peptidomimetics as aminopeptidase N inhibitors. Design, chemistry and activity evaluation. Part I.EBI Eur J Med Chem 44: 4819-25 (2009) Shandong University 2D 3D TSV
19683451 12 Omega-conotoxin GVIA mimetics based on an anthranilamide core: effect of variation in ammonium side chain lengths and incorporation of fluorine.EBI Bioorg Med Chem 17: 6659-70 (2009) The University of Queensland 2D 3D TSV
19683449 116 Synthesis and pharmacological evaluation of 6-naltrexamine analogs for alcohol cessation.EBI Bioorg Med Chem 17: 6671-81 (2009) Human BioMolecular Research Institute 2D 3D TSV
19683443 26 Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain.EBI Bioorg Med Chem Lett 19: 5334-8 (2009) Merck Research Laboratories 2D 3D TSV
19683441 33 Discovery of novel diarylketoxime derivatives as selective and orally active melanin-concentrating hormone 1 receptor antagonists.EBI Bioorg Med Chem Lett 19: 5339-45 (2009) Tsukuba Research Institute 2D 3D TSV
19682971 48 A fluorescence quenching assay to discriminate between specific and nonspecific inhibitors of dengue virus protease.BDB Anal Biochem 395: 195-204 (2009) Novartis Institute for Tropical Diseases 2D 3D TSV
19682914 13 Inhibition of S-ribosylhomocysteinase (LuxS) by substrate analogues modified at the ribosyl C-3 position.EBI Bioorg Med Chem 17: 6699-706 (2009) Florida International University 2D 3D TSV
19682912 80 Synthesis and pharmacological evaluation of novel 1- and 8-substituted-3-furfuryl xanthines as adenosine receptor antagonists.EBI Bioorg Med Chem 17: 6755-60 (2009) Universidade de Santiago de Compostela 2D 3D TSV
19682910 48 Synthesis and molecular modeling of some novel hexahydroindazole derivatives as potent monoamine oxidase inhibitors.EBI Bioorg Med Chem 17: 6761-72 (2009) Hacettepe University 2D 3D TSV
19682899 211 Discovery of 3,3-disubstituted piperidine-derived trisubstituted ureas as highly potent soluble epoxide hydrolase inhibitors.EBI Bioorg Med Chem Lett 19: 5314-20 (2009) Merck Research Laboratories 2D 3D TSV
19682896 49 C-5 Substituted heteroaryl 3-pyridinecarbonitriles as PKCtheta inhibitors: Part I.EBI Bioorg Med Chem Lett 19: 5423-5 (2009) Wyeth Research 2D 3D TSV
19682894 2 Photoregulation of thrombin aptamer activity using Bhc caging strategy.EBI Bioorg Med Chem Lett 19: 5368-71 (2009) University of Science and Technology of China 2D 3D TSV
19681589 3 Guttiferones O and P, prenylated benzophenone MAPKAPK-2 inhibitors from Garcinia solomonensis.EBI J Nat Prod 72: 1699-701 (2009) Griffith University 2D 3D TSV
19679481 29 Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation.EBI Bioorg Med Chem 17: 6180-7 (2009) UNED 2D 3D TSV
19679477 38 Synthesis and evaluation of inhibitors of cytochrome P450 3A (CYP3A) for pharmacokinetic enhancement of drugs.EBI Bioorg Med Chem Lett 19: 5444-8 (2009) Abbott Laboratories 2D 3D TSV
19679475 6 A novel class of highly potent multidrug resistance reversal agents: disubstituted adamantyl derivatives.EBI Bioorg Med Chem Lett 19: 5376-9 (2009) Chung-Ang University 2D 3D TSV
19679474 8 Molecular modeling studies to predict the possible binding modes of endomorphin analogs in mu opioid receptor.EBI Bioorg Med Chem Lett 19: 5387-91 (2009) Lanzhou University 2D 3D TSV
19679469 26 Identification of positron emission tomography ligands for NPY Y5 receptors in the brain.EBI Bioorg Med Chem Lett 19: 5436-9 (2009) Tsukuba Research Institute 2D 3D TSV
19679379 33 Synthesis and preliminary pharmacological evaluation of imidazo[2,1-f]purine-2,4-dione derivatives.EBI Eur J Med Chem 44: 4288-96 (2009) Jagiellonian University Medical College 2D 3D TSV
19678708 28 Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase.BDB J Med Chem 52: 5531-45 (2009) Almirall Research Center 2D 3D TSV
19678644 52 Discovery of orally active 3-pyridinyl-tropane as a potent nociceptin receptor agonist for the management of cough.EBI J Med Chem 52: 5323-9 (2009) Schering-Plough Research Institute 2D 3D TSV
19674899 54 Disubstituted pyrimidines as Lck inhibitors.EBI Bioorg Med Chem Lett 19: 5440-3 (2009) Merck Research Laboratories 2D 3D TSV
19674898 31 Spiropiperidine CCR5 antagonists.EBI Bioorg Med Chem Lett 19: 5401-6 (2009) Roche Palo Alto LLC 2D 3D TSV
19674897 21 From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs.EBI Bioorg Med Chem Lett 19: 5429-32 (2009) Universit£ de Montr£al 2D 3D TSV
19674896 12 Discovery of a novel class of isoxazoline voltage gated sodium channel blockers.EBI Bioorg Med Chem Lett 19: 5329-33 (2009) Merck Research Laboratories 2D 3D TSV
19674894 34 Discovery and in vitro and in vivo profiles of 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as novel class of an orally active metabotropic glutamate receptor 1 (mGluR1) antagonist.EBI Bioorg Med Chem Lett 19: 5464-8 (2009) Tsukuba Research Institute 2D 3D TSV
19674816 31 Discovery of potential ZAP-70 kinase inhibitors: pharmacophore design, database screening and docking studies.EBI Eur J Med Chem 44: 4793-800 (2009) GVK Biosciences Pvt. Ltd. 2D 3D TSV
19673530 41 Synthesis, biological evaluation, and three-dimensional in silico pharmacophore model for sigma(1) receptor ligands based on a series of substituted benzo[d]oxazol-2(3H)-one derivatives.EBI J Med Chem 52: 5380-93 (2009) University of Trieste 2D 3D TSV
19673490 4 Design, synthesis, and examination of neuron protective properties of alkenylated and amidated dehydro-silybin derivatives.EBI J Med Chem 52: 7732-52 (2009) Pharmacy School of Wenzhou Medical College 2D 3D TSV
19673466 101 Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model.EBI J Med Chem 52: 5449-61 (2009) Wyeth Research 2D 3D TSV
19670875 19 Inhibitors of aldose reductase and formation of advanced glycation end-products in moutan cortex (Paeonia suffruticosa).EBI J Nat Prod 72: 1465-70 (2009) Chungnam National University 2D 3D TSV
19668195 38 Synthetic partial agonists reveal key steps in IP3 receptor activation.EBI Nat Chem Biol 5: 631-9 (2009) University of Cambridge 2D 3D TSV
19666229 1 Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin.EBI Bioorg Med Chem 17: 6270-8 (2009) Kitasato University 2D 3D TSV
19666228 4 Synthesis of branched 9-[2-(2-phosphonoethoxy)ethyl]purines as a new class of acyclic nucleoside phosphonates which inhibit Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase.EBI Bioorg Med Chem 17: 6218-32 (2009) Academy of Sciences of the Czech Republic 2D 3D TSV
19665894 93 Solubilized phenyl-pyrazole ureas as potent, selective 5-HT(2A) inverse-agonists and their application as antiplatelet agents.EBI Bioorg Med Chem Lett 19: 5486-9 (2009) Arena Pharmaceuticals Inc. 2D 3D TSV
19665893 29 Dihydropyrazolopyrimidines containing benzimidazoles as K(V)1.5 potassium channel antagonists.EBI Bioorg Med Chem Lett 19: 5469-73 (2009) Bristol-Myers Squibb 2D 3D TSV
19665823 38 Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity: part 2.EBI Eur J Med Chem 44: 4702-15 (2009) Medical University of Warsaw 2D 3D TSV
19665385 14 Synthesis, antifungal, haemolytic and cytotoxic activities of a series of bis(alkylpyridinium)alkanes.EBI Bioorg Med Chem 17: 6329-39 (2009) The University of Sydney 2D 3D TSV
19665384 38 Synthesis and kinase inhibitory activity of novel substituted indigoids.EBI Bioorg Med Chem 17: 6257-63 (2009) Universit£ de La Rochelle 2D 3D TSV
19665377 8 Design and synthesis of new stabilized combi-triazenes for targeting solid tumors expressing the epidermal growth factor receptor (EGFR) or its closest homologue HER2.EBI Bioorg Med Chem Lett 19: 5505-9 (2009) McGill University/Royal Victoria Hospital 2D 3D TSV
19665376 48 Design and synthesis of dipeptidyl nitriles as potent, selective, and reversible inhibitors of cathepsin C.EBI Bioorg Med Chem Lett 19: 5392-6 (2009) Merck Frosst Canada& Co. 2D 3D TSV
19665375 24 Synthesis of novel ageladine A analogs showing more potent matrix metalloproteinase (MMP)-12 inhibitory activity than the natural product.EBI Bioorg Med Chem Lett 19: 5461-3 (2009) Kyorin Pharmaceutical Co., Ltd 2D 3D TSV
19664922 35 2-Amino-9-aryl-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydropyrido[2',3':4,5]thieno[2,3-b]pyridine derivatives as selective progesterone receptor agonists.EBI Bioorg Med Chem Lett 19: 4916-9 (2009) GlaxoSmithKline 2D 3D TSV
19663663 8 Potent inhibitory effects of benzyl and p-xylidine-bis dithiocarbamate sodium salts on activities of mushroom tyrosinase.BDB J Enzyme Inhib Med Chem 25: 272-81 (2010) University of Tehran 2D 3D TSV
19663506 21 Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide.BDB Biochemistry 48: 8624-35 (2009) The University of Texas 2D 3D TSV
19663444 158 A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists.EBI J Med Chem 52: 5330-43 (2009) Theravance, Inc. 2D 3D TSV
19663428 38 Probing the fibrate binding specificity of rat liver fatty acid binding protein.EBI J Med Chem 52: 5344-55 (2009) Monash University 2D 3D TSV
19663388 40 Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds.BDB J Med Chem 52: 5365-79 (2009) Universitat de Barcelona 2D 3D TSV
19663387 29 Characterization of novel selective H1-antihistamines for clinical evaluation in the treatment of insomnia.EBI J Med Chem 52: 5307-10 (2009) Neurocrine Biosciences 2D 3D TSV
19660947 24 Structural determinants for histamine H(1) affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs.EBI Bioorg Med Chem Lett 19: 5043-7 (2009) The Schering Plough Research Institute 2D 3D TSV
19656686 20 3-Substituted phenylalanines as selective AMPA- and kainate receptor ligands.EBI Bioorg Med Chem 17: 6390-401 (2009) University of Copenhagen 2D 3D TSV
19656678 25 Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration.EBI Bioorg Med Chem Lett 19: 5261-5 (2009) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
19654408 2521 AC220 is a uniquely potent and selective inhibitor of FLT3 for the treatment of acute myeloid leukemia (AML).EBI Blood 114: 2984-92 (2009) Ambit Biosciences 2D 3D TSV
19653681 29 14,15-Epoxyeicosa-5,8,11-trienoic acid (14,15-EET) surrogates containing epoxide bioisosteres: influence upon vascular relaxation and soluble epoxide hydrolase inhibition.EBI J Med Chem 52: 5069-75 (2010) University of Texas Southwestern Medical Center 2D 3D TSV
19653647 1 Radiolabeled 5-iodo-3'-O-(17beta-succinyl-5alpha-androstan-3-one)-2'-deoxyuridine and its 5'-monophosphate for imaging and therapy of androgen receptor-positive cancers: synthesis and biological evaluation.EBI J Med Chem 52: 5124-43 (2010) University of Nebraska Medical Center 2D 3D TSV
19653644 1 Curcumin inhibits ACTH- and angiotensin II-stimulated cortisol secretion and Ca(v)3.2 current.EBI J Nat Prod 72: 1533-7 (2009) The Ohio State University College of Medicine and Public Health 2D 3D TSV
19653626 111 Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinol esters as potent and long-acting muscarinic antagonists with potential for minimal systemic exposure after inhaled administration: identification of (3R)-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicycloEBI J Med Chem 52: 5076-92 (2010) Rhône-Poulenc Rorer 2D 3D TSV
19651511 62 Carbonic anhydrase inhibitors. Inhibition of the Rv1284 and Rv3273 beta-carbonic anhydrases from Mycobacterium tuberculosis with diazenylbenzenesulfonamides.EBI Bioorg Med Chem Lett 19: 4929-32 (2009) Universit£ degli Studi di Firenze 2D 3D TSV
19651509 23 Isatin derivatives, a novel class of transthyretin fibrillogenesis inhibitors.EBI Bioorg Med Chem Lett 19: 5270-3 (2009) Universitat de Barcelona 2D 3D TSV
19648931 16 Design, synthesis and selection of DNA-encoded small-molecule libraries.BDB Nat Chem Biol 5: 647-54 (2009) Praecis Pharmaceuticals 2D 3D TSV
19648014 11 Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site antagonists in NR1A/NR2B N-methyl-D-aspartate receptors.EBI Bioorg Med Chem 17: 6463-80 (2009) Emory University 2D 3D TSV
19648007 3 Synthesis and evaluation of novel tricyclic benzo[4.5]cyclohepta[1.2]pyridine derivatives as NMDA/NR2B antagonists.EBI Bioorg Med Chem Lett 19: 5132-5 (2009) Merck Research Laboratories 2D 3D TSV
19648005 41 Identification of small molecule inhibitors of proline-rich tyrosine kinase 2 (Pyk2) with osteogenic activity in osteoblast cells.EBI Bioorg Med Chem Lett 19: 4924-8 (2009) Amgen Inc. 2D 3D TSV
19647430 104 N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration.EBI Bioorg Med Chem Lett 19: 5078-81 (2009) Pfizer Global Research and Development 2D 3D TSV
19647429 35 Novel CXCR3 antagonists with a piperazinyl-piperidine core.EBI Bioorg Med Chem Lett 19: 5205-8 (2009) Ligand Pharmaceuticals 2D 3D TSV
19646882 72 Novel delta opioid receptor agonists exhibit differential stimulation of signaling pathways.EBI Bioorg Med Chem 17: 6442-50 (2009) University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ 2D 3D TSV
19646870 34 Arylcarboxyamino-substituted diaryl ureas as potent and selective FLT3 inhibitors.EBI Bioorg Med Chem Lett 19: 5182-5 (2009) Ambit Biosciences Inc. 2D 3D TSV
19646869 54 Discovery of N-(3-(morpholinomethyl)-phenyl)-amides as potent and selective CB2 agonists.EBI Bioorg Med Chem Lett 19: 5004-8 (2009) Adolor Corporation 2D 3D TSV
19646866 35 2-Aminobenzimidazoles as potent Aurora kinase inhibitors.EBI Bioorg Med Chem Lett 19: 5158-61 (2009) Sunesis Pharmaceuticals, Inc. 2D 3D TSV
19646865 45 Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence.EBI Bioorg Med Chem Lett 19: 4999-5003 (2009) Pfizer Global Research and Development 2D 3D TSV
19646864 6 Characterization of alpha-nitromethyl ketone as a new zinc-binding group based on structural analysis of its complex with carboxypeptidase A.EBI Bioorg Med Chem Lett 19: 5009-11 (2009) Yanbian University 2D 3D TSV
19645482 245 Discovery of a highly potent, selective, and bioavailable soluble epoxide hydrolase inhibitor with excellent ex vivo target engagement.EBI J Med Chem 52: 5009-12 (2010) Merck Research Laboratories 2D 3D TSV
19645480 24 Structure-Based Design, Synthesis, and Biological Evaluation of a Series of Novel and Reversible Inhibitors for the Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease.BDB J Med Chem 52: 5228-40 (2009) Purdue University 2D 3D TSV
19645448 48 ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective PyrazolopyrimidinesBDB J Med Chem 52: 5013-6 (2009) Wyeth Research 2D 3D TSV
19645433 37 Novel flufenamic acid analogues as inhibitors of androgen receptor mediated transcription.BDB ACS Chem Biol 4: 834-43 (2009) St. Jude Research Hospital 2D 3D TSV
19643610 24 Design and discovery of 1,3-benzodiazepines as novel dopamine antagonists.EBI Bioorg Med Chem Lett 19: 5218-21 (2009) Schering Plough Research Institute 2D 3D TSV
19643609 14 Design, synthesis and evaluation of novel 5,6-dimethoxy-1-oxo-2,3-dihydro-1H-2-indenyl-3,4-substituted phenyl methanone analogues.EBI Bioorg Med Chem Lett 19: 5075-7 (2009) Alwar Pharmacy College 2D 3D TSV
19643608 58 Novel N-substituted 4-hydrazino piperidine derivative as a dipeptidyl peptidase IV inhibitor.EBI Bioorg Med Chem Lett 19: 5021-5 (2009) Torrent Pharmaceuticals Ltd. 2D 3D TSV
19643607 26 Studies towards topical selective beta2-adrenoceptor agonists with a long duration of action.EBI Bioorg Med Chem Lett 19: 5237-40 (2009) Boehringer Ingelheim Pharma GmbH& Co. KG 2D 3D TSV
19643512 10 Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors.EBI Eur J Med Chem 44: 4496-508 (2009) National Hellenic Research Foundation 2D 3D TSV
19642687 36 Synthesis of 3-deoxypentacyclic triterpene derivatives as inhibitors of glycogen phosphorylase.EBI J Nat Prod 72: 1414-8 (2009) China Pharmaceutical University 2D 3D TSV
19642675 60 Influence of the side chain next to C-terminal benzimidazole in opioid pseudopeptides containing the Dmt-Tic pharmacophore.EBI J Med Chem 52: 5556-9 (2009) University of Cagliari 2D 3D TSV
19640720 4 Synthesis and characterizations of novel quinoline derivatives having mixed ligand activities at the kappa and mu receptors: Potential therapeutic efficacy against morphine dependence.EBI Bioorg Med Chem 17: 5782-90 (2009) Institute of Chemical Biology 2D 3D TSV
19640719 2 A comprehensive study on the 5-hydroxytryptamine(3A) receptor binding of agonists serotonin and m-chlorophenylbiguanidine.EBI Bioorg Med Chem 17: 5796-805 (2009) Virtua Drug Ltd 2D 3D TSV
19640717 17 Alkyl-bridged substituted 8-arylquinolines as highly potent PDE IV inhibitors.EBI Bioorg Med Chem Lett 19: 5266-9 (2009) Merck Frosst Center for Therapeutic Research 2D 3D TSV
19640716 12 Synthesis and SAR of a novel positive allosteric modulator (PAM) of the metabotropic glutamate receptor 4 (mGluR4).EBI Bioorg Med Chem Lett 19: 4967-70 (2009) Vanderbilt University Medical Center 2D 3D TSV
19640712 5 A conformational constraint improves a beta-secretase inhibitor but for an unexpected reason.EBI Bioorg Med Chem Lett 19: 4993-5 (2009) Merck Research Laboratories 2D 3D TSV
19640707 12 Design and synthesis of (2R,3S)-iodoreboxetine analogues for SPECT imaging of the noradrenaline transporter.EBI Bioorg Med Chem Lett 19: 4996-8 (2009) University of Glasgow 2D 3D TSV
19640706 25 Synthesis and evaluation of a series of 2,4-diaminopyridine derivatives as potential positron emission tomography tracers for neuropeptide Y Y1 receptors.EBI Bioorg Med Chem Lett 19: 5124-7 (2009) Tsukuba Research Institute 2D 3D TSV
19640613 104 Pharmacophore modeling and virtual screening for the discovery of new transforming growth factor-beta type I receptor (ALK5) inhibitors.EBI Eur J Med Chem 44: 4259-65 (2009) Sichuan University 2D 3D TSV
19639995 81 6-methyl-2,4-disubstituted pyridazin-3(2H)-ones: a novel class of small-molecule agonists for formyl peptide receptors.EBI J Med Chem 52: 5044-57 (2010) Universita degli Studi di Firenze 2D 3D TSV
19637873 104 Divergent modes of enzyme inhibition in a homologous structure-activity series.EBI J Med Chem 52: 5005-8 (2010) University of California 2D 3D TSV
19635672 35 alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases.EBI Bioorg Med Chem 17: 5933-49 (2009) Uppsala University 2D 3D TSV
19635669 106 Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part 3: Radiosynthesis and in vivo studies.EBI Bioorg Med Chem Lett 19: 5056-9 (2009) Imperial College London 2D 3D TSV
19635667 110 Semi-rigid tripeptide agonists of melanocortin receptors.EBI Bioorg Med Chem Lett 19: 5176-81 (2009) University of Cincinnati 2D 3D TSV
19635666 119 Discovery of novel selective HER-2 sheddase inhibitors through optimization of P1 moiety.EBI Bioorg Med Chem Lett 19: 5037-42 (2009) Incyte Corporation 2D 3D TSV
19634902 55 Univalent and bivalent ligands of butorphan: characteristics of the linking chain determine the affinity and potency of such opioid ligands.EBI J Med Chem 52: 7389-96 (2009) Harvard Medical School 2D 3D TSV
19633659 3 Inhibition of a viral enzyme by a small-molecule dimer disruptor.BDB Nat Chem Biol 5: 640-6 (2009) University of California, San Francisco 2D 3D TSV
19632842 65 Optimization of a series of quinazolinone-derived antagonists of CXCR3.EBI Bioorg Med Chem Lett 19: 5114-8 (2009) Amgen Inc. 2D 3D TSV
19632840 43 Discovery of novel phenethylpyridone derivatives as potent melanin-concentrating hormone 1 receptor antagonists.EBI Bioorg Med Chem Lett 19: 5186-90 (2009) Tsukuba Research Institute 2D 3D TSV
19632837 15 Benzo[d]imidazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1)--Hit to Lead studies.EBI Bioorg Med Chem Lett 19: 5063-6 (2009) Bristol-Myers Squibb Pharmaceutical Research and Development 2D 3D TSV
19632836 10 Towards to hENT1-nucleoside transporter selective imaging agents. Synthesis and in vitro evaluation of the radiolabeled SAENTA analogues.EBI Bioorg Med Chem Lett 19: 5151-4 (2009) Ulm University 2D 3D TSV
19632834 16 Thiazole analog as stearoyl-CoA desaturase 1 inhibitor.EBI Bioorg Med Chem Lett 19: 5214-7 (2009) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
19632832 15 Inhibitory effect of chalcones and their derivatives from Glycyrrhiza inflata on protein tyrosine phosphatase 1B.EBI Bioorg Med Chem Lett 19: 5155-7 (2009) Institute 2D 3D TSV
19632830 47 Synthesis and evaluation of N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-aminopropanamide as human cannabinoid-1 receptor (CB1R) inverse agonists.EBI Bioorg Med Chem Lett 19: 5195-9 (2009) Merck Research Laboratories 2D 3D TSV
19632829 17 Synthesis and evaluation of 2-amino-dihydrotetrabenzine derivatives as probes for imaging vesicular monoamine transporter-2.EBI Bioorg Med Chem Lett 19: 5026-8 (2009) Key Laboratory of Radiopharmaceuticals (Beijing Normal University) 2D 3D TSV
19632124 12 ADMET rules of thumb II: A comparison of the effects of common substituents on a range of ADMET parameters.EBI Bioorg Med Chem 17: 5906-19 (2009) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
19632122 54 Fascaplysin-inspired diindolyls as selective inhibitors of CDK4/cyclin D1.EBI Bioorg Med Chem 17: 6073-84 (2009) University of Leicester 2D 3D TSV
19632115 105 4-(Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: potent and selective p70S6 kinase inhibitors.EBI Bioorg Med Chem Lett 19: 5191-4 (2009) Vertex Pharmaceuticals, Inc. 2D 3D TSV
19632113 30 4-Anilino-7-pyridyl-3-quinolinecarbonitriles as Src kinase inhibitors.EBI Bioorg Med Chem Lett 19: 5071-4 (2009) Wyeth Research 2D 3D TSV
19632110 29 Discovery of a new series of monoamine reuptake inhibitors, the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ols.EBI Bioorg Med Chem Lett 19: 5029-32 (2009) Wyeth Research 2D 3D TSV
19631551 19 Evaluation of hydrogen bonds of ecdysteroids in the ligand-receptor interactions using a protein modeling system.EBI Bioorg Med Chem 17: 5868-73 (2009) Kyoto University 2D 3D TSV
19631549 18 Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach.EBI Bioorg Med Chem 17: 6040-7 (2009) Osmania University College for Women 2D 3D TSV
19631535 10 Multiple strategies for the preparation of a sulfur-35 labeled NPC1L1 radioligand.EBI Bioorg Med Chem Lett 19: 5033-6 (2009) Merck Research Laboratories 2D 3D TSV
19631533 126 Optimization of the aminopyridopyrazinones class of PDE5 inhibitors: discovery of 3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one.EBI Bioorg Med Chem Lett 19: 5209-13 (2009) Pfizer Global Research and Development 2D 3D TSV
19631532 25 Substituted 3-(4-(1,3,5-triazin-2-yl)-phenyl)-2-aminopropanoic acids as novel tryptophan hydroxylase inhibitors.EBI Bioorg Med Chem Lett 19: 5229-32 (2009) Princ 2D 3D TSV
19631530 4 Design, syntheses, and evaluation of Taspase1 inhibitors.EBI Bioorg Med Chem Lett 19: 5086-90 (2009) Stanford School of Medicine 2D 3D TSV
19631529 74 Imidazo-pyrazine derivatives as potent CXCR3 antagonists.EBI Bioorg Med Chem Lett 19: 5200-4 (2009) Amgen Inc. 2D 3D TSV
19631219 29 Structural-thermodynamic relationships of interactions in the N-terminal ATP-binding domain of Hsp90.BDB J Mol Biol 392: 923-36 (2009) University College London 2D 3D TSV
19630403 19 Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia (dagger) dagger Coordinates of the PDE10A crystal structures have been depoBDB J Med Chem 52: 5188-96 (2009) Pfizer 2D 3D TSV
19630402 1 Identification of enoxacin as an inhibitor of osteoclast formation and bone resorption by structure-based virtual screening.EBI J Med Chem 52: 5144-51 (2010) University of Florida College of Medicine 2D 3D TSV
19630384 32 Design, synthesis, and structure-activity relationship of tropane muscarinic acetylcholine receptor antagonists.EBI J Med Chem 52: 5241-52 (2010) GlaxoSmithKline 2D 3D TSV
19628397 3 Design, synthesis and biological evaluation of novel pyridine derivatives as anticancer agents and phosphodiesterase 3 inhibitors.EBI Bioorg Med Chem 17: 5974-82 (2009) German University in Cairo 2D 3D TSV
19628388 35 Benzo[c][2,7]naphthyridines as inhibitors of PDK-1.BDB Bioorg Med Chem Lett 19: 5225-8 (2009) Wyeth Research 2D 3D TSV
19628387 6 Synthesis and evaluation of 6-methyl-3-phenylcoumarins as potent and selective MAO-B inhibitors.EBI Bioorg Med Chem Lett 19: 5053-5 (2009) Universidad de Santiago de Compostela 2D 3D TSV
19627147 27 Probes for narcotic receptor mediated phenomena. 39. Enantiomeric N-substituted benzofuro[2,3-c]pyridin-6-ols: synthesis and topological relationship to oxide-bridged phenylmorphans.EBI J Med Chem 52: 7570-9 (2009) National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholi 2D 3D TSV
19625187 22 Investigation of the pharmacophore space of Severe Acute Respiratory Syndrome coronavirus (SARS-CoV) NTPase/helicase by dihydroxychromone derivatives.EBI Bioorg Med Chem Lett 19: 4538-41 (2009) Konkuk University 2D 3D TSV
19625186 59 3,4-Disubstituted benzofuran P1' MMP-13 inhibitors: optimization of selectivity and reduction of protein binding.EBI Bioorg Med Chem Lett 19: 4546-50 (2009) Wyeth Research 2D 3D TSV
19625185 44 The discovery of azepane sulfonamides as potent 11beta-HSD1 inhibitors.EBI Bioorg Med Chem Lett 19: 4563-5 (2009) Schering-Plough Research Institute 2D 3D TSV
19624136 48 Triazole inhibitors of Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase.EBI J Med Chem 52: 4623-30 (2009) Brandeis University 2D 3D TSV
19621878 19 Discovery of dermorphin-based affinity labels with subnanomolar affinity for mu opioid receptors.EBI J Med Chem 52: 7372-5 (2009) The University of Kansas 2D 3D TSV
19620996 2 Enzymatic transition states and dynamic motion in barrier crossing.EBI Nat Chem Biol 5: 551-8 (2009) Albert Einstein College of Medicine 2D 3D TSV
19620011 80 Rational design, synthesis and characterization of potent, non-peptidic Smac mimics/XIAP inhibitors as proapoptotic agents for cancer therapy.BDB Bioorg Med Chem 17: 5834-56 (2009) Universita degli Studi di Milano 2D 3D TSV
19620010 43 Synthesis, biological evaluation, and metabolic stability of acrylamide derivatives as novel CCR3 antagonists.EBI Bioorg Med Chem 17: 5989-6002 (2009) Astellas Pharma Inc. 2D 3D TSV
19620007 4 Aerobic oxidation of indolomorphinan without the 4,5-epoxy bridge and subsequent rearrangement of the oxidation product to spiroindolinonyl-C-normorphinan derivative.EBI Bioorg Med Chem 17: 5983-8 (2009) Kitasato University 2D 3D TSV
19618939 36 Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.EBI J Med Chem 52: 4694-715 (2009) deCODE biostructures, Inc. 2D 3D TSV
19616958 10 Design, synthesis, enzyme inhibition, and tumor cell growth inhibition of 2-anilinobenzamide derivatives as SIRT1 inhibitors.EBI Bioorg Med Chem 17: 5900-5 (2009) Nagoya City University 2D 3D TSV
19616957 9 The marine natural-derived inhibitors of glycogen synthase kinase-3beta phenylmethylene hydantoins: In vitro and in vivo activities and pharmacophore modeling.EBI Bioorg Med Chem 17: 6032-9 (2009) University of Louisiana at Monroe 2D 3D TSV
19616955 34 Discovery of pyridone-containing imidazolines as potent and selective inhibitors of neuropeptide Y Y5 receptor.EBI Bioorg Med Chem 17: 6106-22 (2009) Tsukuba Research Institute 2D 3D TSV
19616945 55 Benzothiophene inhibitors of MK2. Part 1: structure-activity relationships, assessments of selectivity and cellular potency.EBI Bioorg Med Chem Lett 19: 4878-81 (2009) Pfizer Global Research and Development 2D 3D TSV
19616944 27 Discovery of (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide as an efficacious inhaled muscarinic acetylcholine receptor antagonist for the treatment of COPD.EBI Bioorg Med Chem Lett 19: 4560-2 (2009) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
19616942 45 Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency.EBI Bioorg Med Chem Lett 19: 4882-4 (2009) Pfizer Global Research and Development 2D 3D TSV
19616940 2 Synthesis and biological evaluation of 1,2,4-trisubstituted imidazoles and 1,3,5-trisubstituted pyrazoles as inhibitors of transforming growth factor beta type 1 receptor (ALK5).EBI Bioorg Med Chem Lett 19: 4868-72 (2009) Institute of Pharmacology and Toxicology 2D 3D TSV
19616432 176 Design, synthesis and evaluation of N-[(3S)-pyrrolidin-3-yl]benzamides as selective noradrenaline reuptake inhibitors: CNS penetration in a more polar template.EBI Bioorg Med Chem Lett 19: 4579-83 (2009) Pfizer Global Research and Development 2D 3D TSV
19616430 120 Design of selective Cathepsin inhibitors.EBI Bioorg Med Chem Lett 19: 4622-5 (2009) AstraZeneca 2D 3D TSV
19616429 32 Discovery of orally active, pyrrolidinone-based progesterone receptor partial agonists.EBI Bioorg Med Chem Lett 19: 4664-8 (2009) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
19615910 13 Melanogenesis inhibitors from the rhizomes of Alpinia officinarum in B16 melanoma cells.EBI Bioorg Med Chem 17: 6048-53 (2009) Kyoto Pharmaceutical University 2D 3D TSV
19615903 6 In vivo targeting of tumor-associated carbonic anhydrases using acetazolamide derivatives.EBI Bioorg Med Chem Lett 19: 4851-6 (2009) Institute of Pharmaceutical Sciences 2D 3D TSV
19615901 52 The P1N-isopropyl motif bearing hydroxyethylene dipeptide isostere analogues of aliskiren are in vitro potent inhibitors of the human aspartyl protease renin.EBI Bioorg Med Chem Lett 19: 4863-7 (2009) Nagasaki International University 2D 3D TSV
19615899 53 Discovery of imidazo[1,2-a]pyridines as potent MCH1R antagonists.EBI Bioorg Med Chem Lett 19: 4589-93 (2009) Tsukuba Research Institute 2D 3D TSV
19615897 28 Synthesis and biological evaluation of 3,6-diamino-1H-pyrazolo[3,4-b]pyridine derivatives as protein kinase inhibitors.EBI Bioorg Med Chem Lett 19: 4566-9 (2009) Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) 2D 3D TSV
19610652 26 Investigation of the relative cellular permeability of DNA-binding pyrrole-imidazole polyamides.EBI J Med Chem 52: 4604-12 (2009) University of Texas Southwestern Medical Center 2D 3D TSV
19610618 41 Inhibition of the insulin-like growth factor-1 receptor (IGF1R) tyrosine kinase as a novel cancer therapy approach.EBI J Med Chem 52: 4981-5004 (2010) University of South Florida 2D 3D TSV
19610616 29 Combining hit identification strategies: fragment-based and in silico approaches to orally active 2-aminothieno[2,3-d]pyrimidine inhibitors of the Hsp90 molecular chaperone.BDB J Med Chem 52: 4794-809 (2009) Vernalis (R&D) Ltd 2D 3D TSV
19610604 8 Inhibition of glyoxalase I: the first low-nanomolar tight-binding inhibitors.EBI J Med Chem 52: 4650-6 (2009) University of Minnesota 2D 3D TSV
19608421 39 Novel indoline-based acyl-CoA: cholesterol acyltransferase inhibitor: Effects of introducing a methanesulfonamide group on physicochemical properties and biological activities.EBI Bioorg Med Chem 17: 6020-31 (2009) Kyoto Pharmaceutical Industries 2D 3D TSV
19608418 95 Novel tricyclic antagonists of the prostaglandin D2 receptor DP2 with efficacy in a murine model of allergic rhinitis.EBI Bioorg Med Chem Lett 19: 4647-51 (2009) Amira Pharmaceuticals 2D 3D TSV
19608417 26 Synthesis and biochemical evaluation of a range of sulfonated derivatives of 4-hydroxybenzyl imidazole as highly potent inhibitors of rat testicular 17alpha-hydroxylase/17,20-lyase (P-450(17alpha)).EBI Bioorg Med Chem Lett 19: 4698-701 (2009) University of the West of Scotland 2D 3D TSV
19608416 29 Discovery of highly potent and selective biphenylacylsulfonamide-based beta3-adrenergic receptor agonists and molecular modeling based on the solved X-ray structure of the beta2-adrenergic receptor: part 6.EBI Bioorg Med Chem Lett 19: 4679-83 (2009) Astellas Pharma Inc 2D 3D TSV
19606904 8 3,5-Diphenylpent-2-enoic acids as allosteric activators of the protein kinase PDK1: structure-activity relationships and thermodynamic characterization of binding as paradigms for PIF-binding pocket-targeting compounds.EBI J Med Chem 52: 4683-93 (2009) Saarland University 2D 3D TSV
19606871 124 N-O-isopropyl sulfonamido-based hydroxamates: design, synthesis and biological evaluation of selective matrix metalloproteinase-13 inhibitors as potential therapeutic agents for osteoarthritis.EBI J Med Chem 52: 4757-73 (2009) Universit£ di Pisa 2D 3D TSV
19606870 53 Design, synthesis, and biological evaluation of 16-substituted 4-azasteroids as tissue-selective androgen receptor modulators (SARMs).EBI J Med Chem 52: 4578-81 (2009) Merck Research Laboratories 2D 3D TSV
19606869 41 Dopamine D2, D3, and D4 selective phenylpiperazines as molecular probes to explore the origins of subtype specific receptor binding.EBI J Med Chem 52: 4923-35 (2009) Friedrich Alexander University 2D 3D TSV
19606868 2 Neglected tropical diseases: multi-target-directed ligands in the search for novel lead candidates against Trypanosoma and Leishmania.EBI J Med Chem 52: 7339-59 (2009) University of Bologna 2D 3D TSV
19605350 18 Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines.BDB J Biol Chem 284: 25211-9 (2009) University of California, San Francisco 2D 3D TSV
19604696 6 Discovery of a novel protein kinase B inhibitor by structure-based virtual screening.EBI Bioorg Med Chem Lett 19: 4634-8 (2009) Torrey Pines Institute for Molecular Studies 2D 3D TSV
19604695 49 Synthesis and biological evaluation of imidazole derivatives as novel NOP/ORL1 receptor antagonists: exploration and optimization of alternative pyrazole structure.EBI Bioorg Med Chem Lett 19: 4611-6 (2009) Banyu Tsukuba Research Institute 2D 3D TSV
19604694 147 Piperazinyl-glutamate-pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation.EBI Bioorg Med Chem Lett 19: 4657-63 (2009) Pfizer Global Research& Development 2D 3D TSV
19603809 59 Identification of N,1,4,4-Tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.BDB J Med Chem 52: 5152-63 (2009) Nerviano Medical Sciences Srl 2D 3D TSV
19597507 62 A new glucagon and GLP-1 co-agonist eliminates obesity in rodents.EBI Nat Chem Biol 5: 749-57 (2009) Indiana University 2D 3D TSV
19596868 6 High-throughput screening identifies three inhibitor classes of the telomere resolvase from the lyme disease spirochete.EBI Antimicrob Agents Chemother 53: 4441-9 (2009) University of Calgary 2D 3D TSV
19596583 36 Synthesis and evaluation of a novel 2-azabicyclo[2.2.2]octane class of long chain fatty acid elongase 6 (ELOVL6) inhibitors.EBI Bioorg Med Chem 17: 5639-47 (2009) Tsukuba Research Institute 2D 3D TSV
19596577 26 Synthesis and enzymatic evaluation of novel partially fluorinated thiol dual ACE/NEP inhibitors.EBI Bioorg Med Chem Lett 19: 4715-9 (2009) Dipartimento di Chimica 2D 3D TSV
19596576 60 Substituted pyrimidines as cannabinoid CB1 receptor ligands.EBI Bioorg Med Chem Lett 19: 4692-7 (2009) Green Cross Corporation 2D 3D TSV
19596575 2 Design, synthesis and biological evaluation of new potent and highly selective ROS1-tyrosine kinase inhibitor.EBI Bioorg Med Chem Lett 19: 4720-3 (2009) Kyung Hee University 2D 3D TSV
19596199 13 Selective inhibition of nicotinamide adenine dinucleotide kinases by dinucleoside disulfide mimics of nicotinamide adenine dinucleotide analogues.EBI Bioorg Med Chem 17: 5656-64 (2009) University of Minnesota 2D 3D TSV
19596198 14 Design and synthesis of new 1,3-benzthiazinan-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors.EBI Bioorg Med Chem 17: 5369-73 (2009) Shahid Beheshti University (M.C) 2D 3D TSV
19596197 8 Identification of potential cellular targets of aloisine A by affinity chromatography.EBI Bioorg Med Chem 17: 5572-82 (2009) CNRS USR-3151 2D 3D TSV
19596193 72 Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists.EBI Bioorg Med Chem Lett 19: 4781-5 (2009) Tsukuba Research Institute 2D 3D TSV
19595599 14 Muscarinic receptor 1 agonist activity of novel N-aryl carboxamide substituted 3-morpholino arecoline derivatives in Alzheimer's presenile dementia models.EBI Bioorg Med Chem 17: 5526-34 (2009) University of Mysore 2D 3D TSV
19595598 2 7-((4-Substituted)piperazin-1-yl) derivatives of ciprofloxacin: synthesis and in vitro biological evaluation as potential antitumor agents.EBI Bioorg Med Chem 17: 5396-407 (2009) Universit£ de Toulouse 2D 3D TSV
19595596 114 Synthesis, cannabinoid receptor affinity, molecular modeling studies and in vivo pharmacological evaluation of new substituted 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides. 2. Effect of the 3-carboxamide substituent on the affinity and selectivity profile.EBI Bioorg Med Chem 17: 5549-64 (2009) Sapienza Universit£ di Roma 2D 3D TSV
19595591 37 Synthesis and opioid receptor activity of indolopropellanes.EBI Bioorg Med Chem Lett 19: 4603-6 (2009) Chinese Academy of Sciences 2D 3D TSV
19595590 49 Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists.EBI Bioorg Med Chem Lett 19: 4777-80 (2009) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
19592258 20 Parallel synthesis of potent dopaminergic N-phenyltriazole carboxamides applying a novel click chemistry based phenol linker.EBI Bioorg Med Chem 17: 5482-7 (2009) Friedrich Alexander University 2D 3D TSV
19592257 8 Systematic syntheses of influenza neuraminidase inhibitors: a series of carbosilane dendrimers uniformly functionalized with thioglycoside-type sialic acid moieties.EBI Bioorg Med Chem 17: 5451-64 (2009) Saitama University 2D 3D TSV
19592247 26 Highly tractable, sub-nanomolar non-steroidal glucocorticoid receptor agonists.EBI Bioorg Med Chem Lett 19: 4846-50 (2009) GlaxoSmithKline 2D 3D TSV
19592246 54 Novel derivatives of ISO-1 as potent inhibitors of MIF biological function.EBI Bioorg Med Chem Lett 19: 4773-6 (2009) Piramal Life Sciences 2D 3D TSV
19592245 11 Effect of flavonoids on androgen and glucocorticoid receptors based on in vitro reporter gene assay.EBI Bioorg Med Chem Lett 19: 4706-10 (2009) Meijo University 2D 3D TSV
19592244 61 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists.EBI Bioorg Med Chem Lett 19: 4794-8 (2009) Novartis Institutes of Biomedical Research 2D 3D TSV
19592243 66 Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors.EBI Bioorg Med Chem Lett 19: 4630-3 (2009) Roche Palo Alto LLC 2D 3D TSV
19592242 29 Pyrazole acids as niacin receptor agonists for the treatment of dyslipidemia.EBI Bioorg Med Chem Lett 19: 4768-72 (2009) Merck Research Laboratories 2D 3D TSV
19591488 24 Synthesis and biological evaluation of guanidino compounds endowed with subnanomolar affinity as competitive inhibitors of maize polyamine oxidase.EBI J Med Chem 52: 4774-85 (2009) Universit£ degli Studi di Siena 2D 3D TSV
19591487 38 3,4-Diaryl-isoxazoles and -imidazoles as potent dual inhibitors of p38alpha mitogen activated protein kinase and casein kinase 1delta.EBI J Med Chem 52: 7618-30 (2009) Eberhard-Karls-University 2D 3D TSV
19589677 65 Imidazopyridine derivatives as potent and selective Polo-like kinase (PLK) inhibitors.EBI Bioorg Med Chem Lett 19: 4673-8 (2009) Banyu Tsukuba Research Institute 2D 3D TSV
19588945 55 The glutamate receptor GluR5 agonist (S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)propionic acid and the 8-methyl analogue: synthesis, molecular pharmacology, and biostructural characterization.EBI J Med Chem 52: 4911-22 (2009) University of Copenhagen 2D 3D TSV
19588934 71 Design of a new histamine H3 receptor antagonist chemotype: (3aR,6aR)-5-alkyl-1-aryl-octahydropyrrolo[3,4-b]pyrroles, synthesis, and structure-activity relationships.EBI J Med Chem 52: 4640-9 (2009) Abbott Laboratories 2D 3D TSV
19586773 4 Synthesis and characterization of 6-deoxy-6-fluoro-D-fructose as a potential compound for imaging breast cancer with PET.EBI Bioorg Med Chem 17: 5488-95 (2009) University of Alberta 2D 3D TSV
19586769 46 FXR agonist activity of conformationally constrained analogs of GW 4064.EBI Bioorg Med Chem Lett 19: 4733-9 (2009) GlaxoSmithKline 2D 3D TSV
19583260 102 Synthesis and in vitro evaluation of N-substituted maleimide derivatives as selective monoglyceride lipase inhibitors.EBI J Med Chem 52: 7410-20 (2009) Louvain Drug Research Institute 2D 3D TSV
19581100 162 Discovery of novel thiourea derivatives as potent and selective beta3-adrenergic receptor agonists.EBI Bioorg Med Chem 17: 5510-9 (2009) Astellas Pharma Inc. 2D 3D TSV
19581086 37 The identification and optimisation of novel and selective diamide neuropeptide Y Y2 receptor antagonists.EBI Bioorg Med Chem Lett 19: 4022-5 (2009) GlaxoSmithKline 2D 3D TSV
19580319 40 Aromatic 2-(thio)ureidocarboxylic acids as a new family of modulators of multidrug resistance-associated protein 1: synthesis, biological evaluation, and structure-activity relationships.EBI J Med Chem 52: 4586-95 (2009) University of Bonn 2D 3D TSV
19580287 27 Carbonic anhydrase-encoded dynamic constitutional libraries: toward the discovery of isozyme-specific inhibitors.EBI J Med Chem 52: 4853-9 (2009) ENSCM/UMII/UMR-CNRS 5635 2D 3D TSV
19580286 44 Nucleoside-5'-monophosphates as prodrugs of adenosine A2A receptor agonists activated by ecto-5'-nucleotidase.EBI J Med Chem 52: 7669-77 (2009) University of Bonn 2D 3D TSV
19578332 2 Zebrafish chemical screening reveals an inhibitor of Dusp6 that expands cardiac cell lineages.EBI Nat Chem Biol 5: 680-7 (2009) University of Pittsburgh 2D 3D TSV
19577933 14 Discriminatory synergistic effect of Trp-substitutions in superagonist [(Arg/Lys)(14), (Arg/Lys)(15)]nociceptin on ORL1 receptor binding and activation.EBI Bioorg Med Chem 17: 5683-7 (2009) Kyushu University 2D 3D TSV
19577470 49 Synthesis and optimization of 2-pyridin-3-yl-benzo[d][1,3]oxazin-4-one based inhibitors of human neutrophil elastase.EBI Bioorg Med Chem Lett 19: 4743-6 (2009) ActivX Biosciences, Inc 2D 3D TSV
19577469 30 Potent, orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors.EBI Bioorg Med Chem Lett 19: 4070-4 (2009) Gilead Sciences, Inc. 2D 3D TSV
19577468 33 The identification of potent, orally bioavailable tricyclic CGRP receptor antagonists.EBI Bioorg Med Chem Lett 19: 4740-2 (2009) Merck Research Laboratories 2D 3D TSV
19577467 2 Synthesis, radiolabeling and preliminary in vivo evaluation of [18F]FE-PE2I, a new probe for the dopamine transporter.EBI Bioorg Med Chem Lett 19: 4843-5 (2009) Institutet 2D 3D TSV
19577344 43 Heterocyclic replacement of the central phenyl core of diamine-based histamine H3 receptor antagonists.EBI Eur J Med Chem 44: 4413-25 (2009) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
19576786 129 Identification, structure-activity relationships and molecular modeling of potent triamine and piperazine opioid ligands.EBI Bioorg Med Chem 17: 5583-97 (2009) Institute for Molecular Studies 2D 3D TSV
19576767 142 From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV.EBI Bioorg Med Chem Lett 19: 4818-23 (2009) Santhera Pharmaceuticals (Switzerland) Ltd 2D 3D TSV
19576766 86 Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists.EBI Bioorg Med Chem Lett 19: 4747-51 (2009) Pfizer Global Research& Development 2D 3D TSV
19576765 15 Design and synthesis of BACE-1 inhibitors utilizing a tertiary hydroxyl motif as the transition state mimic.EBI Bioorg Med Chem Lett 19: 4711-4 (2009) Uppsala University 2D 3D TSV
19574056 25 Discovery of novel dual functional agent as PPARgamma agonist and 11beta-HSD1 inhibitor for the treatment of diabetes.EBI Bioorg Med Chem 17: 5722-32 (2009) Chinese Academy of Sciences 2D 3D TSV
19574055 82 Synergism of virtual screening and medicinal chemistry: identification and optimization of allosteric antagonists of metabotropic glutamate receptor 1.EBI Bioorg Med Chem 17: 5708-15 (2009) Merz Pharmaceuticals GmbH 2D 3D TSV
19574053 9 Glucose-based spiro-heterocycles as potent inhibitors of glycogen phosphorylase.EBI Bioorg Med Chem 17: 5696-707 (2009) University of Debrecen 2D 3D TSV
19574047 42 Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.EBI Bioorg Med Chem Lett 19: 4724-8 (2009) Amgen Inc 2D 3D TSV
19574046 5 Carbonic anhydrase inhibitors. Inhibition of the beta-class enzyme from the pathogenic yeast Candida glabrata with anions.EBI Bioorg Med Chem Lett 19: 4802-5 (2009) Universit£ degli Studi di Firenze 2D 3D TSV
19574045 44 Novel inhibitors of the alphavbeta3 integrin--lead identification strategy.EBI Bioorg Med Chem Lett 19: 4832-5 (2009) AstraZeneca 2D 3D TSV
19572612 14 Cytotoxic pentacyclic triterpenoids from Combretum sundaicum and Lantana camara as inhibitors of Bcl-xL/BakBH3 domain peptide interaction.EBI J Nat Prod 72: 1314-20 (2009) CNRS 2D 3D TSV
19572550 4 Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics.BDB J Med Chem 52: 4860-8 (2009) University of Zurich 2D 3D TSV
19572549 30 Identification of inhibitors of checkpoint kinase 1 through template screening.BDB J Med Chem 52: 4810-9 (2009) The Institute of Cancer Research 2D 3D TSV
19572547 51 9-(Arenethenyl)purines as dual Src/Abl kinase inhibitors targeting the inactive conformation: design, synthesis, and biological evaluation.EBI J Med Chem 52: 4743-56 (2009) ARIAD Pharmaceuticals, Inc. 2D 3D TSV
19569717 251 1-alkyl-8-(piperazine-1-sulfonyl)phenylxanthines: development and characterization of adenosine A2B receptor antagonists and a new radioligand with subnanomolar affinity and subtype specificity.EBI J Med Chem 52: 3994-4006 (2009) Institute 2D 3D TSV
19564110 31 Identification of MK-1925: a selective, orally active and brain-penetrable opioid receptor-like 1 (ORL1) antagonist.EBI Bioorg Med Chem Lett 19: 4729-32 (2009) Tsukuba Research Institute 2D 3D TSV
19564108 48 4-(Phenylsulfonamidomethyl)benzamides as potent and selective inhibitors of the 11beta-hydroxysteroid dehydrogenase type 1 with efficacy in diabetic ob/ob mice.EBI Bioorg Med Chem Lett 19: 4455-8 (2009) Chinese Academy of Sciences 2D 3D TSV
19564107 20 Synthesis and evaluation of 5-benzylidene(thio)barbiturate-beta-D-glycosides as mushroom tyrosinase inhibitors.EBI Bioorg Med Chem Lett 19: 4055-8 (2009) Sun Yat-sen University 2D 3D TSV
19561619 5 Bioactivity-guided mapping and navigation of chemical space.EBI Nat Chem Biol 5: 585-92 (2009) Institut für Molekulare Physiologie 2D 3D TSV
19560931 15 Synthesis and biological evaluation of new 4-carboxyl quinoline derivatives as cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem 17: 5312-7 (2009) Shahid Beheshti University (M.C) 2D 3D TSV
19560930 69 An extended study of dimeric phenyl tropanes.EBI Bioorg Med Chem 17: 4900-9 (2009) Aarhus University 2D 3D TSV
19560923 20 Conformationally restricted homotryptamines. Part 5: 3-(trans-2-aminomethylcyclopentyl)indoles as potent selective serotonin reuptake inhibitors.EBI Bioorg Med Chem Lett 19: 4031-3 (2009) Bristol-Myers SquibbPharmaceutical Research Institute 2D 3D TSV
19560921 28 Structure-Activity Relationship of novel phenylacetic CXCR1 inhibitors.EBI Bioorg Med Chem Lett 19: 4026-30 (2009) Grupo Uriach 2D 3D TSV
19560919 28 Synthesis and evaluation of new endomorphin analogues modified at the Pro(2) residue.EBI Bioorg Med Chem Lett 19: 4115-8 (2009) Universit£ di Roma 2D 3D TSV
19560918 101 Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part one: lead identification.EBI Bioorg Med Chem Lett 19: 4799-801 (2009) Cancer Therapeutics 2D 3D TSV
19560916 39 Sulfonamides with the N-alkyl-N'-dialkylguanidine moiety as 5-HT7 receptor ligands.EBI Bioorg Med Chem Lett 19: 4827-31 (2009) Jagiellonian University Medical College 2D 3D TSV
19560363 118 In vitro biological activity and structural analysis of 2,4-diamino-5-(2'-arylpropargyl)pyrimidine inhibitors of Candida albicans.EBI Bioorg Med Chem 17: 4866-72 (2009) University of Connecticut 2D 3D TSV
19560355 2 Discovery of a new class of catalytic topoisomerase II inhibitors targeting the ATP-binding site by structure based design. Part I.EBI Bioorg Med Chem Lett 19: 4014-7 (2009) Novartis Institutes for BioMedical Research 2D 3D TSV
19560354 12 Evaluation of structurally diverse neuronal nicotinic receptor ligands for selectivity at the alpha6( *) subtype.EBI Bioorg Med Chem Lett 19: 4359-63 (2009) Targacept, Inc. 2D 3D TSV
19560353 3 Identification of new Hsp90 inhibitors by structure-based virtual screening.EBI Bioorg Med Chem Lett 19: 4839-42 (2009) Seoul National University 2D 3D TSV
19559623 33 'Click' D(1) receptor agonists with a 5-HT(1A) receptor pharmacophore producing D(2) receptor activity.EBI Bioorg Med Chem 17: 4873-80 (2009) Chinese Academy of Sciences 2D 3D TSV
19558346 15 Synthesis of a novel series of benzylether-containing cinnamoyl derivatives as histone deacetylase inhibitors.BDB J Enzyme Inhib Med Chem 25: 132-8 (2010) Shan Dong University 2D 3D TSV
19556128 8 Tetrahydrocarbazole amides with potent activity against human papillomaviruses.EBI Bioorg Med Chem Lett 19: 4110-4 (2009) GlaxoSmithKline Research& Development 2D 3D TSV
19556125 42 Discovery of a novel class of 2-mercaptohexanoic acid derivatives as highly active PPARalpha agonists.EBI Bioorg Med Chem Lett 19: 4421-6 (2009) Goethe-University Frankfurt 2D 3D TSV
19555163 35 Design, synthesis, and biological evaluation of 3,4,5-trimethoxyphenyl acrylamides as antinarcotic agents.BDB J Enzyme Inhib Med Chem 25: 38-43 (2010) Ewha Womans University 2D 3D TSV
19555126 38 Apogossypol derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins.BDB J Med Chem 52: 4511-23 (2009) Burnham Institute for Medical Research 2D 3D TSV
19555125 16 Tyrosinase-inhibitory constituents from the twigs of Cinnamomum cassia.EBI J Nat Prod 72: 1205-8 (2009) Chungnam National University 2D 3D TSV
19555120 11 Botryllamides: Natural Product Inhibitors of ABCG2.BDB ACS Chem Biol 4: 637-47 (2009) SAIC-Frederick 2D 3D TSV
19555113 45 Cell division cycle 7 kinase inhibitors: 1H-pyrrolo[2,3-b]pyridines, synthesis and structure-activity relationships.EBI J Med Chem 52: 4380-90 (2009) Nerviano Medical Sciences 2D 3D TSV
19553115 96 Brain-penetrating 2-aminobenzimidazole H(1)-antihistamines for the treatment of insomnia.EBI Bioorg Med Chem Lett 19: 4380-4 (2009) Neurocrine Biosciences 2D 3D TSV
19553114 38 Synthesis and SAR of novel tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1).EBI Bioorg Med Chem Lett 19: 4050-4 (2009) Abbott Laboratories 2D 3D TSV
19553113 143 Dopamine D(3) receptor antagonists: The quest for a potentially selective PET ligand. Part two: Lead optimization.EBI Bioorg Med Chem Lett 19: 4011-3 (2009) GlaxoSmithKline 2D 3D TSV
19553112 39 Discovery and optimization of a novel Neuromedin B receptor antagonist.EBI Bioorg Med Chem Lett 19: 4264-7 (2009) Amgen Inc. 2D 3D TSV
19553111 13 Amidine derived inhibitors of acid-sensing ion channel-3 (ASIC3).EBI Bioorg Med Chem Lett 19: 4059-63 (2009) Merck. 2D 3D TSV
19553110 16 Development of a selective and potent radioactive ligand for histamine H(3) receptors: A compound potentially useful for receptor occupancy studies.EBI Bioorg Med Chem Lett 19: 4075-8 (2009) Tsukuba Research Institute 2D 3D TSV
19553108 3 Discovery and structural analysis of Eph receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 19: 4467-70 (2009) Institute 2D 3D TSV
19553107 27 Identification of aminoethyl pyrrolo dihydroisoquinolinones as novel poly(ADP-ribose) polymerase-1 inhibitors.EBI Bioorg Med Chem Lett 19: 4042-5 (2009) IRBM--Merck Research Laboratories Rome 2D 3D TSV
19552984 28 Inhibitory effects of 5-benzylidene barbiturate derivatives on mushroom tyrosinase and their antibacterial activities.EBI Eur J Med Chem 44: 4235-43 (2009) Sun Yat-sen University 2D 3D TSV
19552437 50 Synthesis, structure-activity relationships, and in vivo evaluation of N3-phenylpyrazinones as novel corticotropin-releasing factor-1 (CRF1) receptor antagonists.EBI J Med Chem 52: 4173-91 (2009) Bristol-Myers Squibb Company 2D 3D TSV
19552436 43 In vitro intrinsic clearance-based optimization of N3-phenylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists.EBI J Med Chem 52: 4161-72 (2009) Bristol-Myers Squibb Company 2D 3D TSV
19552432 90 Octahydropyrrolo[3,4-c]pyrrole: a diamine scaffold for construction of either alpha4beta2 or alpha7-selective nicotinic acetylcholine receptor (nAChR) ligands. Substitutions that switch subtype selectivity.EBI J Med Chem 52: 4126-41 (2009) Abbott Laboratories 2D 3D TSV
19552431 104 Novel small molecule bradykinin B2 receptor antagonists.EBI J Med Chem 52: 4370-9 (2009) Jerini AG 2D 3D TSV
19549076 26 Carbonic anhydrase inhibitors: inhibition of cytosolic carbonic anhydrase isozymes II and VII with simple aromatic sulfonamides and some azo dyes.BDB Chem Biol Drug Des 74: 196-202 (2009) Universita degli Studi di Firenze 2D 3D TSV
19548782 6 Effect of some analgesics on paraoxonase-1 purified from human serum.BDB J Enzyme Inhib Med Chem 24: 1034-9 (2009) Atatürk University 2D 3D TSV
19548687 67 Synthesis, binding, and modeling studies of new cytisine derivatives, as ligands for neuronal nicotinic acetylcholine receptor subtypes.EBI J Med Chem 52: 4345-57 (2009) Università degli Studi di Genova 2D 3D TSV
19545120 8 Structure-activity relationships and cancer-cell selective toxicity of novel inhibitors of glioma-associated oncogene homologue 1 (Gli1) mediated transcription.EBI J Med Chem 52: 4277-87 (2009) St Jude Children's Research Hospital 2D 3D TSV
19541490 12 Synthesis and biological evaluation of SANT-2 and analogues as inhibitors of the hedgehog signaling pathway.EBI Bioorg Med Chem 17: 4943-54 (2009) University of Leipzig 2D 3D TSV
19541487 49 Optimization of peptide-based inhibitors of prostate-specific antigen (PSA) as targeted imaging agents for prostate cancer.EBI Bioorg Med Chem 17: 4888-93 (2009) The Johns Hopkins University School of Medicine 2D 3D TSV
19541484 45 Identification of substituted pyrazolo[1,5-a]quinazolin-5(4H)-one as potent poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors.EBI Bioorg Med Chem Lett 19: 4196-200 (2009) IRBM - Merck Research Laboratories Rome 2D 3D TSV
19541482 37 Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part II: Identification of 4-ethylamino-3-(2-hydroxyethoxy)-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide and its biological evaluation.EBI Bioorg Med Chem Lett 19: 4159-66 (2009) Daiichi Sankyo Co., Ltd 2D 3D TSV
19541481 57 Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors.EBI Bioorg Med Chem Lett 19: 4034-41 (2009) Bristol-Myers Squibb Company 2D 3D TSV
19540767 25 Bioactive conformation analysis of cyclic imides as protoporphyrinogen oxidase inhibitor by combining DFT calculations, QSAR and molecular dynamic simulations.EBI Bioorg Med Chem 17: 4935-42 (2009) Central China Normal University 2D 3D TSV
19540766 4 Nucleoside-amino acid conjugates: An alternative route to the design of ribonuclease A inhibitors.EBI Bioorg Med Chem 17: 4921-7 (2009) Institute of Technology 2D 3D TSV
19540765 10 Purinergic P2X(7) receptor antagonists: Chemistry and fundamentals of biological screening.EBI Bioorg Med Chem 17: 4861-5 (2009) University of Sydney 2D 3D TSV
19540763 4 Synthesis and investigations of double-pharmacophore ligands for treatment of chronic and neuropathic pain.EBI Bioorg Med Chem 17: 5044-53 (2009) University of Arizona 2D 3D TSV
19540762 3 Tetrahydroisoquinolines as dopaminergic ligands: 1-Butyl-7-chloro-6-hydroxy-tetrahydroisoquinoline, a new compound with antidepressant-like activity in mice.EBI Bioorg Med Chem 17: 4968-80 (2009) Universidad de Valencia 2D 3D TSV
19540759 61 Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part I: Discovery of 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide.EBI Bioorg Med Chem Lett 19: 4151-8 (2009) Daiichi Sankyo Co., Ltd 2D 3D TSV
19540628 2 Aziridine alkaloids as potential therapeutic agents.EBI Eur J Med Chem 44: 3373-87 (2009) Liverpool John Moores University 2D 3D TSV
19540112 33 Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors.EBI Bioorg Med Chem Lett 19: 4088-91 (2009) Pfizer Global Research and Development 2D 3D TSV
19540111 24 Discovery of novel 2-(pyridine-2-yl)-1H-benzimidazole derivatives as potent glucokinase activators.EBI Bioorg Med Chem Lett 19: 4450-4 (2009) Banyu Tsukuba Research Institute 2D 3D TSV
19539483 78 Separation of alpha-glucosidase-inhibitory and liver X receptor-antagonistic activities of phenethylphenyl phthalimide analogs and generation of LXRalpha-selective antagonists.EBI Bioorg Med Chem 17: 5001-14 (2009) The University of Tokyo 2D 3D TSV
19539481 68 Carbonic anhydrase inhibitors. Aromatic/heterocyclic sulfonamides incorporating phenacetyl, pyridylacetyl and thienylacetyl tails act as potent inhibitors of human mitochondrial isoforms VA and VB.BDB Bioorg Med Chem 17: 4894-9 (2009) Istanbul University 2D 3D TSV
19539480 7 A new small molecule that directly inhibits the DNA binding of NF-kappaB.EBI Bioorg Med Chem 17: 5293-7 (2009) Tokushima Bunri University 2D 3D TSV
19539471 130 Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors.EBI Bioorg Med Chem Lett 19: 4097-101 (2009) Merck& Co. Inc. 2D 3D TSV
19539468 6 Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system.EBI Bioorg Med Chem Lett 19: 4092-6 (2009) Pfizer Global Research and Development 2D 3D TSV
19539407 18 Chiral 3-(4,5-dihydrooxazol-2-yl)phenyl alkylcarbamates as novel FAAH inhibitors: Insight into FAAH enantioselectivity by molecular docking and interaction fields.EBI Eur J Med Chem 44: 4179-91 (2009) Helsinki University of Technology 2D 3D TSV
19537798 22 Identification of an orally active opioid receptor-like 1 (ORL1) receptor antagonist 4-{3-[(2R)-2,3-dihydroxypropyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}-1-[(1S,3S,4R)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropan]-3-ylmethyl]piperidine as clinical candidate.EBI J Med Chem 52: 4091-4 (2009) Tsukuba Research Institute 2D 3D TSV
19537763 24 Discovery of molecular switches that modulate modes of metabotropic glutamate receptor subtype 5 (mGlu5) pharmacology in vitro and in vivo within a series of functionalized, regioisomeric 2- and 5-(phenylethynyl)pyrimidines.EBI J Med Chem 52: 4103-6 (2009) Vanderbilt University Medical Center 2D 3D TSV
19537690 24 L337H mutant of rat neuronal nitric oxide synthase resembles human neuronal nitric oxide synthase toward inhibitors.EBI J Med Chem 52: 4533-7 (2009) Northwestern University 2D 3D TSV
19534556 57 Improved, selective, human intestinal carboxylesterase inhibitors designed to modulate 7-ethyl-10-[4-(1-piperidino)-1-piperidino]carbonyloxycamptothecin (Irinotecan; CPT-11) toxicity.EBI J Med Chem 52: 3742-52 (2009) St. Jude Children's Research Hospital 2D 3D TSV
19534555 11 Structure-activity study of new inhibitors of human betaine-homocysteine S-methyltransferase.EBI J Med Chem 52: 3652-65 (2009) Academy of Sciences of the Czech Republic 2D 3D TSV
19534531 115 Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers.EBI J Med Chem 52: 4266-76 (2009) AstraZeneca 2D 3D TSV
19530700 8 Identification of peptide substrate and small molecule inhibitors of testis-specific serine/threonine kinase1 (TSSK1) by the developed assays.EBI J Med Chem 52: 4419-28 (2009) Chinese Academy of Medical Sciences & Peking Union Medical College 2D 3D TSV
19530697 59 Discovery of 2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl-1H-pyrazol-3-yl]-1,5,5-trimethyl-1,5-dihydro-imidazol-4-thione (BPR-890) via an active metabolite. A novel, potent and selective cannabinoid-1 receptor inverse agonist with high antiobesity efficacy in DIO mice.EBI J Med Chem 52: 4496-510 (2009) National Health Research Institutes 2D 3D TSV
19530681 79 Discovery of a peroxisome proliferator activated receptor gamma (PPARgamma) modulator with balanced PPARalpha activity for the treatment of type 2 diabetes and dyslipidemia.EBI J Med Chem 52: 4443-53 (2009) Merck Research Laboratories 2D 3D TSV
19528275 11 Identification and biochemical characterization of small-molecule inhibitors of Clostridium botulinum neurotoxin serotype A.EBI Antimicrob Agents Chemother 53: 3478-86 (2009) U.S. Army Medical Research Institute of Infectious Diseases 2D 3D TSV
19527931 19 Structure-activity studies on the nociceptin/orphanin FQ receptor antagonist 1-benzyl-N-{3-[spiroisobenzofuran-1(3H),4'-piperidin-1-yl]propyl} pyrrolidine-2-carboxamide.EBI Bioorg Med Chem 17: 5080-95 (2009) University of Ferrara 2D 3D TSV
19527930 53 The protein tyrosine kinase inhibitors imatinib and nilotinib strongly inhibit several mammalian alpha-carbonic anhydrase isoforms.EBI Bioorg Med Chem Lett 19: 4102-6 (2009) University of Tampere and Tampere University Hospital 2D 3D TSV
19527929 1 Design, synthesis and evaluation of aspirin analogues having an additional carboxylate substituent for antithrombotic activity.EBI Bioorg Med Chem Lett 19: 4213-6 (2009) Royal College of Surgeons in Ireland 2D 3D TSV
19527048 19 Chemical and biological investigation of cyclopropyl containing diaryl-pyrazole-3-carboxamides as novel and potent cannabinoid type 1 receptor antagonists.EBI J Med Chem 52: 4329-37 (2009) Gedeon Richter Plc 2D 3D TSV
19527033 11 One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening.BDB J Med Chem 52: 4454-65 (2009) University of Dundee 2D 3D TSV
19527032 5 Virtual screening approach for the identification of new Rac1 inhibitors.EBI J Med Chem 52: 4087-90 (2009) Universit£ degli Studi di Milano 2D 3D TSV
19527031 24 Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: a new class of antimalarial therapeutics.EBI J Med Chem 52: 4391-9 (2009) The University of Queensland 2D 3D TSV
19525117 30 Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode.BDB Bioorg Med Chem 17: 5336-41 (2009) GSK 2D 3D TSV
19525116 43 Novel orally active NPY Y5 receptor antagonists: Synthesis and structure-activity relationship of spiroindoline class compounds.EBI Bioorg Med Chem 17: 5015-26 (2009) Tsukuba Research Institute 2D 3D TSV
19525112 1 [(11)C]PR04.MZ, a promising DAT ligand for low concentration imaging: Synthesis, efficient (11)C-O-methylation and initial small animal PET studies.EBI Bioorg Med Chem Lett 19: 4343-5 (2009) Brookhaven National Laboratory 2D 3D TSV
19525110 46 Diaminocyclobutenediones as potent and orally bioavailable CXCR2 receptor antagonists: SAR in the phenolic amide region.EBI Bioorg Med Chem Lett 19: 4446-9 (2009) Schering-Plough Research Institute 2D 3D TSV
19524439 14 N-[(Dihydroxyphenyl)acyl]serotonins as potent inhibitors of tyrosinase from mouse and human melanoma cells.EBI Bioorg Med Chem Lett 19: 4178-82 (2009) National Institute of Advanced Industrial Science and Technology 2D 3D TSV
19524438 38 5-N,N-Disubstituted 5-aminopyrazole-3-carboxylic acids are highly potent agonists of GPR109b.EBI Bioorg Med Chem Lett 19: 4207-9 (2009) Arena Pharmaceuticals 2D 3D TSV
19524437 31 Selective naphthalene H(3) receptor inverse agonists with reduced potential to induce phospholipidosis and their quinoline analogs.EBI Bioorg Med Chem Lett 19: 4495-500 (2009) Hoffmann-La Roche Ltd 2D 3D TSV
19524436 27 Regioselective synthesis of methylated epigallocatechin gallate via nitrobenzenesulfonyl (Ns) protecting group.EBI Bioorg Med Chem Lett 19: 4171-4 (2009) University of Shizuoka and Global COE Program 2D 3D TSV
19524331 33 Diamine-based human histamine H3 receptor antagonists: (4-aminobutyn-1-yl)benzylamines.EBI Eur J Med Chem 44: 4098-106 (2009) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
19523837 54 Synthesis and structure-activity relationship of 3beta-(4-alkylthio, -methylsulfinyl, and -methylsulfonylphenyl)tropane and 3beta-(4-alkylthiophenyl)nortropane derivatives for monoamine transporters.EBI Bioorg Med Chem 17: 5126-32 (2009) Research Triangle Institute 2D 3D TSV
19523835 14 Synthesis of uracil nucleotide analogs with a modified, acyclic ribose moiety as P2Y(2) receptor antagonists.EBI Bioorg Med Chem 17: 5071-9 (2009) University of Bonn 2D 3D TSV
19523834 79 Novel 1-aminoethyl-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines are potent 5-HT(6) agonists.EBI Bioorg Med Chem 17: 5153-63 (2009) Wyeth Research 2D 3D TSV
19523833 33 2D-QSAR and 3D-QSAR/CoMFA analyses of the N-terminal substituted anthranilic acid based CCK(1) receptor antagonists: 'Hic Rhodus, hic saltus'.EBI Bioorg Med Chem 17: 5198-206 (2009) Aristotelian University of Thessaloniki 2D 3D TSV
19523825 6 A stabilized demethoxyviridin derivative inhibits PI3 kinase.EBI Bioorg Med Chem Lett 19: 4223-7 (2009) Harvard Medical School 2D 3D TSV
19523824 3 Prolonged stability by cyclization: Macrocyclic phosphino dipeptide isostere inhibitors of beta-secretase (BACE1).EBI Bioorg Med Chem Lett 19: 4427-31 (2009) Technische Universit£t M£nchen 2D 3D TSV
19523822 33 Identification and optimisation of a novel series of pyrimidine based cyclooxygenase-2 (COX-2) inhibitors. Utilisation of a biotransformation approach.EBI Bioorg Med Chem Lett 19: 4509-14 (2009) GlaxoSmithKline 2D 3D TSV
19522501 4 Synergistic effect of zanamivir-porphyrin conjugates on inhibition of neuraminidase and inactivation of influenza virus.EBI J Med Chem 52: 4903-10 (2009) National Taiwan University 2D 3D TSV
19522500 35 Synthesis and biological evaluation of a novel 3-sulfonyl-8-azabicyclo[3.2.1]octane class of long chain fatty acid elongase 6 (ELOVL6) inhibitors.EBI J Med Chem 52: 4111-4 (2009) Tsukuba Research Institute 2D 3D TSV
19522465 102 Design, synthesis, and evaluation of indolinones as triple angiokinase inhibitors and the discovery of a highly specific 6-methoxycarbonyl-substituted indolinone (BIBF 1120).EBI J Med Chem 52: 4466-80 (2009) Boehringer Ingelheim Pharma GmbH&Co KG 2D 3D TSV
19522464 3 Structural assessment and biological evaluation of two N3S bombesin derivatives.EBI J Med Chem 52: 4234-46 (2009) Institutes of Radioisotopes-Radiodiagnostic Products and Biology 2D 3D TSV
19522463 1 Discovery of a potent and orally active hedgehog pathway antagonist (IPI-926).EBI J Med Chem 52: 4400-18 (2009) Infinity Pharmaceuticals, Inc 2D 3D TSV
19520578 11 Synthesis of novel purine nucleosides towards a selective inhibition of human butyrylcholinesterase.EBI Bioorg Med Chem 17: 5106-16 (2009) Faculdade de Ci£ncias da Universidade de Lisboa 2D 3D TSV
19520577 111 Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides.EBI Bioorg Med Chem 17: 5054-8 (2009) MC-98000 Princ 2D 3D TSV
19520575 49 Unsymmetrical non-adamantyl N,N'-diaryl urea and amide inhibitors of soluble expoxide hydrolase.EBI Bioorg Med Chem Lett 19: 4259-63 (2009) Arete Therapeutics, Inc. 2D 3D TSV
19520574 49 Synthesis, structure-activity relationships, and biological profiles of a dihydrobenzoxathiin class of histamine H(3) receptor inverse agonists.EBI Bioorg Med Chem Lett 19: 4232-6 (2009) Tsukuba Research Institute 2D 3D TSV
19520573 108 Identification of [4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-pyrimidinyl] amines and ethers as potent and selective cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem Lett 19: 4504-8 (2009) GlaxoSmithKline 2D 3D TSV
19520572 55 Discovery and functional evaluation of diverse novel human CB(1) receptor ligands.EBI Bioorg Med Chem Lett 19: 4183-90 (2009) Vernalis (R&D) Ltd 2D 3D TSV
19520086 27 Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin.BDB J Mol Biol 391: 552-64 (2009) Philipps-University Marburg 2D 3D TSV
19519743 6 Potent triazolothione inhibitor of heat-shock protein-90.BDB Chem Biol Drug Des 74: 43-50 (2009) Bayer Healthcare, 2D 3D TSV
19515568 1 Synthesis and biological evaluation of (11)C-labeled beta-galactosyl triazoles as potential PET tracers for in vivo LacZ reporter gene imaging.EBI Bioorg Med Chem 17: 5117-25 (2009) Katholieke Universiteit Leuven 2D 3D TSV
19515567 29 SAR and biological evaluation of SEN12333/WAY-317538: Novel alpha 7 nicotinic acetylcholine receptor agonist.EBI Bioorg Med Chem 17: 5247-58 (2009) Wyeth Research 2D 3D TSV
19515564 3 Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.EBI Bioorg Med Chem Lett 19: 4350-3 (2009) GlaxoSmithKline 2D 3D TSV
19515560 24 Fatty acid amide hydrolase inhibitors. Surprising selectivity of chiral azetidine ureas.EBI Bioorg Med Chem Lett 19: 4241-4 (2009) Vernalis (R&D) Ltd 2D 3D TSV
19515558 120 Dipeptidyl nitrile inhibitors of Cathepsin L.BDB Bioorg Med Chem Lett 19: 4280-3 (2009) AstraZeneca 2D 3D TSV
19515557 47 Discovery of beta-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV.EBI Bioorg Med Chem Lett 19: 4201-3 (2009) Santhera Pharmaceuticals (Switzerland) Ltd 2D 3D TSV
19515556 12 HIF-1alpha peptide derivatives with modifications at the hydroxyproline residue as activators of HIF-1alpha.EBI Bioorg Med Chem Lett 19: 4403-5 (2009) Institute of Science and Technology 2D 3D TSV
19507862 42 Discovery of potent competitive inhibitors of indoleamine 2,3-dioxygenase with in vivo pharmacodynamic activity and efficacy in a mouse melanoma model.EBI J Med Chem 52: 7364-7 (2009) Incyte Corporation 2D 3D TSV
19507861 18 Discovery of (2R)-2-(3-{3-[(4-Methoxyphenyl)carbonyl]-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl}phenoxy)butanoic acid (MK-0533): a novel selective peroxisome proliferator-activated receptor gamma modulator for the treatment of type 2 diabetes mellitus with a reduced potential to increase plasma aEBI J Med Chem 52: 3846-54 (2009) Merck Research Laboratories 2D 3D TSV
19505825 12 Structure-activity relationships of memoquin: Influence of the chain chirality in the multi-target mechanism of action.EBI Bioorg Med Chem Lett 19: 4312-5 (2009) Alma Mater Studiorum-Bologna University 2D 3D TSV
19505824 36 Synthesis and structure-activity relationships of gamma-carboline derivatives as potent and selective cysLT(1) antagonists.EBI Bioorg Med Chem Lett 19: 4299-302 (2009) Universitat de Barcelona 2D 3D TSV
19505081 3 Eusynstyelamides A, B, and C, nNOS inhibitors, from the ascidian Eusynstyela latericius.EBI J Nat Prod 72: 1115-20 (2009) Institute of Marine Science 2D 3D TSV
19502066 25 Molecular recognition in the P2Y(14) receptor: Probing the structurally permissive terminal sugar moiety of uridine-5'-diphosphoglucose.EBI Bioorg Med Chem 17: 5298-311 (2009) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
19502059 11 Application of a 3,3-diphenylpentane skeleton as a multi-template for creation of HMG-CoA reductase inhibitors.EBI Bioorg Med Chem Lett 19: 4228-31 (2009) The University of Tokyo 2D 3D TSV
19502057 26 Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives as novel small molecule chaperone amplifiers.EBI Bioorg Med Chem Lett 19: 4303-7 (2009) CytRx Corporation 2D 3D TSV
19502054 3 Identification of a chromone-based retinoid containing a polyolefinic side chain via facile synthetic routes.EBI Bioorg Med Chem Lett 19: 4339-42 (2009) Temple University 2D 3D TSV
19501513 474 Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites.EBI Bioorg Med Chem 17: 5259-74 (2009) Universit£ di Padova 2D 3D TSV
19501510 15 SAR of a series of inhaled A(2A) agonists and comparison of inhaled pharmacokinetics in a preclinical model with clinical pharmacokinetic data.EBI Bioorg Med Chem Lett 19: 4471-5 (2009) Pfizer Global Research and Development 2D 3D TSV
19500994 18 Diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of 5-(4-carboxymethylphenyl)-1-(4-methanesulfonylphenyl)-3-trifluoromethyl-1H-pyrazole and its aminosulfonyl analog: Synthesis, biological evaluation and nitric oxide release studies.EBI Bioorg Med Chem 17: 5182-8 (2009) University of Alberta 2D 3D TSV
19500993 42 Design and synthesis of 3,5-diarylisoxazole derivatives as novel class of anti-hyperglycemic and lipid lowering agents.EBI Bioorg Med Chem 17: 5285-92 (2009) Central Drug Research Institute 2D 3D TSV
19500982 93 Optimization of piperidin-4-yl-urea-containing melanin-concentrating hormone receptor 1 (MCH-R1) antagonists: Reducing hERG-associated liabilities.EBI Bioorg Med Chem Lett 19: 4274-9 (2009) AstraZeneca R&D M£lndal 2D 3D TSV
19500981 26 Rapid assessment of a novel series of selective CB(2) agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis.EBI Bioorg Med Chem Lett 19: 4406-9 (2009) Pfizer Discovery Chemistry 2D 3D TSV
19500979 74 Optimization of 2-piperidin-4-yl-acetamides as melanin-concentrating hormone receptor 1 (MCH-R1) antagonists: Designing out hERG inhibition.EBI Bioorg Med Chem Lett 19: 4268-73 (2009) AstraZeneca R&D M£lndal 2D 3D TSV
19500977 20 Structure-based virtual screening approach to identify novel classes of Cdc25B phosphatase inhibitors.EBI Bioorg Med Chem Lett 19: 4372-5 (2009) Sejong University 2D 3D TSV
19500885 10 An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors.EBI Eur J Med Chem 44: 4121-7 (2009) Universidade de Coimbra 2D 3D TSV
19500884 1 Studies towards the identification of putative bioactive conformation of potent vasodilator arylidene N-acylhydrazone derivatives.EBI Eur J Med Chem 44: 4004-9 (2009) Universidade Federal do Rio de Janeiro 2D 3D TSV
19499950 64 Functionalized congeners of A3 adenosine receptor-selective nucleosides containing a bicyclo[3.1.0]hexane ring system.EBI J Med Chem 52: 7580-92 (2009) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
19499921 7 A small-molecule inhibitor of Nipah virus envelope protein-mediated membrane fusion.EBI J Med Chem 52: 4257-65 (2009) University of W£rzburg 2D 3D TSV
19497745 21 Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors.EBI Bioorg Med Chem Lett 19: 4441-5 (2009) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
19497739 66 Structure-based de novo design and biochemical evaluation of novel Cdc25 phosphatase inhibitors.EBI Bioorg Med Chem Lett 19: 4330-4 (2009) Sejong University 2D 3D TSV
19497644 147 QSAR study of Akt/protein kinase B (PKB) inhibitors using support vector machine.EBI Eur J Med Chem 44: 4090-7 (2009) Zhejiang University 2D 3D TSV
19493592 30 Active site directed docking studies: synthesis and pharmacological evaluation of cis-2,6-dimethyl piperidine sulfonamides as inhibitors of acetylcholinesterase.EBI Eur J Med Chem 44: 4057-62 (2009) University of Mysore 2D 3D TSV
19493591 7 Synthesis and evaluation of A-seco type triterpenoids for anti-HIV-1protease activity.EBI Eur J Med Chem 44: 4112-20 (2009) University of Toyama 2D 3D TSV
19492852 44 Structural optimization and biological evaluation of 2-substituted 5-hydroxyindole-3-carboxylates as potent inhibitors of human 5-lipoxygenase.BDB J Med Chem 52: 3474-83 (2009) Friedrich Alexander University Erlangen 2D 3D TSV
19492850 15 Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists.BDB ACS Chem Biol 4: 557-66 (2009) Genentech 2D 3D TSV
19492813 56 Antagonists of the calcium receptor I. Amino alcohol-based parathyroid hormone secretagogues.EBI J Med Chem 52: 3982-93 (2009) GlaxoSmithKline 2D 3D TSV
19489538 1 Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders.EBI J Med Chem 52: 3941-53 (2009) Princ 2D 3D TSV
19487124 39 Discovery of novel aminothiadiazole amides as selective EP(3) receptor antagonists.EBI Bioorg Med Chem Lett 19: 4292-5 (2009) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
19487123 31 Optimization of a series of 2,4-diaminopyridines as neuropeptide Y Y1 receptor antagonists with reduced hERG activity.EBI Bioorg Med Chem Lett 19: 4325-9 (2009) Tsukuba Research Institute 2D 3D TSV
19485411 2 Site-activated multifunctional chelator with acetylcholinesterase and neuroprotective-neurorestorative moieties for Alzheimer's therapy.EBI J Med Chem 52: 4095-8 (2009) Institute of Science 2D 3D TSV
19483697 23 Phage-encoded combinatorial chemical libraries based on bicyclic peptides.EBI Nat Chem Biol 5: 502-7 (2009) Laboratory of Molecular Biology, Medical Research Council 2D 3D TSV
19482478 5 Retinoid receptor subtype-selective modulators through synthetic modifications of RARgamma agonists.EBI Bioorg Med Chem 17: 4345-59 (2009) Universidade de Vigo 2D 3D TSV
19482472 30 Bicyclic cyanothiazolidines as novel dipeptidyl peptidase 4 inhibitors.EBI Bioorg Med Chem Lett 19: 4437-40 (2009) Phenomix Corporation 2D 3D TSV
19482383 23 Synthesis and bioactivity of substituted indan-1-ylideneaminoguanidine derivatives.EBI Eur J Med Chem 44: 3771-6 (2009) China Pharmaceutical University 2D 3D TSV
19481947 36 Potential antioxidants and tyrosinase inhibitors from synthetic polyphenolic deoxybenzoins.EBI Bioorg Med Chem 17: 4360-6 (2009) National Taiwan University 2D 3D TSV
19481945 55 Synthesis and biological evaluation of novel carbon-11 labeled pyridyl ethers: candidate ligands for in vivo imaging of alpha4beta2 nicotinic acetylcholine receptors (alpha4beta2-nAChRs) in the brain with positron emission tomography.EBI Bioorg Med Chem 17: 4367-77 (2009) The Johns Hopkins University School of Medicine 2D 3D TSV
19481943 23 Synthesis of hybrid analogues of caffeine and eudistomin D and its affinity for adenosine receptors.EBI Bioorg Med Chem 17: 4280-4 (2009) Hokkaido University 2D 3D TSV
19481941 80 Design, synthesis and dopamine D4 receptor binding activities of new N-heteroaromatic 5/6-ring Mannich bases.EBI Bioorg Med Chem 17: 4448-58 (2009) Friedrich-Alexander-Universit£t 2D 3D TSV
19481932 164 Discovery of spirocyclic secondary amine-derived tertiary ureas as highly potent, selective and bioavailable soluble epoxide hydrolase inhibitors.EBI Bioorg Med Chem Lett 19: 3398-404 (2009) Merck Research Laboratories 2D 3D TSV
19481466 35 Novel and potent small-molecule urotensin II receptor agonists.EBI Bioorg Med Chem 17: 4657-65 (2009) University of Gothenburg 2D 3D TSV
19481465 31 Design and synthesis of ten biphenyl-neolignan derivatives and their in vitro inhibitory potency against cyclooxygenase-1/2 activity and 5-lipoxygenase-mediated LTB4-formation.EBI Bioorg Med Chem 17: 4459-65 (2009) Karl-Franzens-Universit£t Graz 2D 3D TSV
19481464 41 Synthesis and biological evaluation of novel 4-azaindolyl-indolyl-maleimides as glycogen synthase kinase-3beta (GSK-3beta) inhibitors.EBI Bioorg Med Chem 17: 4302-12 (2009) Zhejiang University 2D 3D TSV
19481451 20 Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics.EBI Bioorg Med Chem Lett 19: 3426-9 (2009) Chugai Pharmaceutical Co. Ltd 2D 3D TSV
19481450 121 Substituted benzimidazoles: A novel chemotype for small molecule hKSP inhibitors.EBI Bioorg Med Chem Lett 19: 3405-9 (2009) Schering-Plough Research Institute 2D 3D TSV
19481449 51 Novel sulfone-containing di- and trisubstituted cyclohexanes as potent CC chemokine receptor 2 (CCR2) antagonists.EBI Bioorg Med Chem Lett 19: 3418-22 (2009) Bristol-Myers Squibb Company 2D 3D TSV
19480458 26 Isoform-specific inhibition of cyclophilins.BDB Biochemistry 48: 6268-77 (2009) Max Planck Research 2D 3D TSV
19477652 18 Discovery, characterization and comparison of inhibitors of Bacillus anthracis and Staphylococcus aureus replicative DNA helicases.EBI Bioorg Med Chem 17: 4466-76 (2009) Microbiotix, Inc 2D 3D TSV
19477650 42 Synthesis and biological activities of aminopyrimidyl-indoles structurally related to meridianins.EBI Bioorg Med Chem 17: 4420-4 (2009) Clermont Universit£ 2D 3D TSV
19477642 87 Second generation of BACE-1 inhibitors part 2: Optimisation of the non-prime side substituent.BDB Bioorg Med Chem Lett 19: 3669-73 (2009) GSK 2D 3D TSV
19477134 1 QSAR study on maximal inhibition (Imax) of quaternary ammonium antagonists for S-(-)-nicotine-evoked dopamine release from dopaminergic nerve terminals in rat striatum.EBI Bioorg Med Chem 17: 4477-85 (2009) University of Kentucky 2D 3D TSV
19477133 13 Synthesis of quinolinyl and isoquinolinyl phenyl ketones as novel agonists for the cannabinoid CB2 receptor.EBI Bioorg Med Chem 17: 4441-7 (2009) Helsinki University of Technology 2D 3D TSV
19476340 2 Hop (Humulus lupulus)-derived bitter acids as multipotent bioactive compounds.EBI J Nat Prod 72: 1220-30 (2009) Ghent University-UGent 2D 3D TSV
19476336 4 Chemical constituents from the aerial parts of Artemisia minor.EBI J Nat Prod 72: 1198-201 (2009) Chinese Academy of Sciences 2D 3D TSV
19473849 33 Synthesis and structure-activity relationship of Huprine derivatives as human acetylcholinesterase inhibitors.EBI Bioorg Med Chem 17: 4523-36 (2009) COBRA-CNRS UMR 6014& FR 3038 2D 3D TSV
19473848 7 Synthesis and pharmacological evaluation of 1,2,3,4-tetrahydropyrazino[1,2-a]indole and 2-[(phenylmethylamino)methyl]-1H-indole analogues as novel melatoninergic ligands.EBI Bioorg Med Chem 17: 4583-94 (2009) University of W£rzburg 2D 3D TSV
19473839 26 N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275.BDB Bioorg Med Chem Lett 19: 3493-7 (2009) Pfizer 2D 3D TSV
19473029 110 Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 receptor.EBI J Med Chem 52: 3627-35 (2009) University of Arizona 2D 3D TSV
19473027 21 Further studies at neuropeptide s position 5: discovery of novel neuropeptide S receptor antagonists.EBI J Med Chem 52: 4068-71 (2009) National Institute of Neuroscienc 2D 3D TSV
19473017 12 Design of HIV-1 protease inhibitors with pyrrolidinones and oxazolidinones as novel P1'-ligands to enhance backbone-binding interactions with protease: synthesis, biological evaluation, and protein-ligand X-ray studies.BDB J Med Chem 52: 3902-14 (2009) Purdue University 2D 3D TSV
19472977 3 Competitive inhibition of human poly(A)-specific ribonuclease (PARN) by synthetic fluoro-pyranosyl nucleosides.BDB Biochemistry 48: 6044-51 (2009) University of Thessaly 2D 3D TSV
19470507 4 Curcumin modulates efflux mediated by yeast ABC multidrug transporters and is synergistic with antifungals.EBI Antimicrob Agents Chemother 53: 3256-65 (2009) Jawaharlal Nehru University 2D 3D TSV
19469556 47 Synthesis and evaluation of a series of heterobiarylamides that are centrally penetrant metabotropic glutamate receptor 4 (mGluR4) positive allosteric modulators (PAMs).EBI J Med Chem 52: 4115-8 (2009) Vanderbilt University Medical Center 2D 3D TSV
19469546 208 Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors.EBI J Med Chem 52: 3892-901 (2009) St. Jude Children's Hospital 2D 3D TSV
19469545 140 1-amino-4-benzylphthalazines as orally bioavailable smoothened antagonists with antitumor activity.EBI J Med Chem 52: 3954-68 (2009) Novartis Institutes for Biomedical Research 2D 3D TSV
19469544 7 Synthesis and evaluation of sphingosine analogues as inhibitors of sphingosine kinases.EBI J Med Chem 52: 3618-26 (2009) National University of Singapore 2D 3D TSV
19469479 44 Identification of anxiolytic/nonsedative agents among indol-3-ylglyoxylamides acting as functionally selective agonists at the gamma-aminobutyric acid-A (GABAA) alpha2 benzodiazepine receptor.EBI J Med Chem 52: 3723-34 (2009) Universita di Pisa 2D 3D TSV
19467869 5 Discovery of novel lipophilic inhibitors of OXA-10 enzyme (class D beta-lactamase) by screening amino analogs and homologs of citrate and isocitrate.EBI Bioorg Med Chem Lett 19: 3593-7 (2009) Universit£ Catholique de Louvain 2D 3D TSV
19467868 131 Orally active C-6 heteroaryl- and heterocyclyl-substituted imidazo[1,2-a]pyridine acid pump antagonists (APAs).EBI Bioorg Med Chem Lett 19: 3602-6 (2009) GlaxoSmithKline R&D 2D 3D TSV
19467742 17 Synthesis and biological evaluation of novel 4,5-bis(dialkylaminoalkyl)-substituted acridines as potent telomeric G-quadruplex ligands.EBI Eur J Med Chem 44: 3880-8 (2009) Universit£ de Reims-Champagne-Ardenne 2D 3D TSV
19467599 16 Iodophenyl tagged sphingosine derivatives: synthesis and preliminary biological evaluation.EBI Bioorg Med Chem Lett 19: 3382-5 (2009) University of Pennsylvania 2D 3D TSV
19467597 13 Carbamates as potent calcitonin gene-related peptide antagonists with improved solution stability.EBI Bioorg Med Chem Lett 19: 3555-8 (2009) Bristol-Myers Squibb Research and Development 2D 3D TSV
19465931 12 Inhibitor hijacking of Akt activation.EBI Nat Chem Biol 5: 484-93 (2009) University of California 2D 3D TSV
19464902 1 6-Amino-2-mercapto-3H-pyrimidin-4-one derivatives as new candidates for the antagonism at the P2Y12 receptors.EBI Bioorg Med Chem 17: 4612-21 (2009) Universit£ di Ferrara 2D 3D TSV
19464901 77 Identification of novel serotonin 2C receptor ligands by sequential virtual screening.EBI Bioorg Med Chem 17: 4559-68 (2009) Institute of Science and Technology 2D 3D TSV
19464889 43 Aryl urea derivatives of spiropiperidines as NPY Y5 receptor antagonists.EBI Bioorg Med Chem Lett 19: 3511-6 (2009) Tsukuba Research Institute 2D 3D TSV
19464886 30 Exploration and optimization of substituted triazolothiadiazines and triazolopyridazines as PDE4 inhibitors.BDB Bioorg Med Chem Lett 19: 3686-92 (2009) National Human Genome Research Institute 2D 3D TSV
19464885 63 Synthesis and activity of quinolinylmethyl P1' alpha-sulfone piperidine hydroxamate inhibitors of TACE.BDB Bioorg Med Chem Lett 19: 3445-8 (2009) Wyeth Research 2D 3D TSV
19464884 34 Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood.BDB Bioorg Med Chem Lett 19: 3485-8 (2009) Wyeth Research 2D 3D TSV
19464189 23 Synthesis and structure-activity relationships of N-(4-amino-2,6-diisopropylphenyl)-N'-(1,4-diarylpiperidine-4-yl)methylureas as anti-hyperlipidemic agents.EBI Bioorg Med Chem 17: 4636-46 (2009) Dainippon Sumitomo Pharma Co Ltd 2D 3D TSV
19464175 5 Structure-activity relationships of heteroaromatic esters as human rhinovirus 3C protease inhibitors.EBI Bioorg Med Chem Lett 19: 3632-6 (2009) Institute of Science and Technology 2D 3D TSV
19464172 74 Nascent structure-activity relationship study of a diastereomeric series of kappa opioid receptor antagonists derived from CJ-15,208.EBI Bioorg Med Chem Lett 19: 3647-50 (2009) Adolor Corporation 2D 3D TSV
19464171 87 Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma.BDB Bioorg Med Chem Lett 19: 3550-4 (2009) Amgen 2D 3D TSV
19463000 50 High-affinity, non-nucleotide-derived competitive antagonists of platelet P2Y12 receptors.EBI J Med Chem 52: 3784-93 (2009) University of Bonn 2D 3D TSV
19462975 18 Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc.BDB J Med Chem 52: 3915-26 (2009) Chemical Genomics Centre of the Max Planck Society 2D 3D TSV
19459681 5 Inhibition of dynamin mediated endocytosis by the dynoles--synthesis and functional activity of a family of indoles.EBI J Med Chem 52: 3762-73 (2009) The University of Newcastle 2D 3D TSV
19459652 56 Discovery of tetrasubstituted imidazolines as potent and selective neuropeptide Y Y5 receptor antagonists: reduced human ether-a-go-go related gene potassium channel binding affinity and potent antiobesity effect.EBI J Med Chem 52: 3385-96 (2009) Tsukuba Research Institute 2D 3D TSV
19459643 18 Sesterterpenes as tubulin tyrosine ligase inhibitors. First insight of structure-activity relationships and discovery of new lead.EBI J Med Chem 52: 3814-28 (2009) Universita di Salerno 2D 3D TSV
19457675 8 The structure-based design, synthesis, and biological evaluation of DNA-binding amide linked bisintercalating bisanthrapyrazole anticancer compounds.EBI Bioorg Med Chem 17: 4575-82 (2009) University of Manitoba 2D 3D TSV
19457667 17 Hit-to-lead optimization of pyrrolo[1,2-a]quinoxalines as novel cannabinoid type 1 receptor antagonists.EBI Bioorg Med Chem Lett 19: 3471-5 (2009) Gedeon Richter Plc 2D 3D TSV
19457666 34 Design and optimization of renin inhibitors: Orally bioavailable alkyl amines.BDB Bioorg Med Chem Lett 19: 3541-5 (2009) Vitae Pharmaceuticals 2D 3D TSV
19457663 1 Identification of a disruptor of the MDM2-p53 protein-protein interaction facilitated by high-throughput in silico docking.BDB Bioorg Med Chem Lett 19: 3756-9 (2009) H. Lee Moffitt Cancer Center 2D 3D TSV
19457661 21 Identification of 2-aminobenzimidazoles as potent melanin-concentrating hormone 1-receptor (MCH1R) antagonists.BDB Bioorg Med Chem Lett 19: 3568-72 (2009) Banyu Pharmaceutical Co. 2D 3D TSV
19457660 90 Compelling P1 substituent affect on metalloprotease binding profile enables the design of a novel cyclohexyl core scaffold with excellent MMP selectivity and HER-2 sheddase inhibition.EBI Bioorg Med Chem Lett 19: 3525-30 (2009) Incyte Corporation 2D 3D TSV
19457659 22 Non-isotopic dual parameter competition assay suitable for high-throughput screening of histone deacetylases.EBI Bioorg Med Chem Lett 19: 3651-6 (2009) University of G£ttingen 2D 3D TSV
19457595 12 Fenbufen based 3-[5-(substituted aryl)-1,3,4-oxadiazol-2-yl]-1-(biphenyl-4-yl)propan-1-ones as safer antiinflammatory and analgesic agents.EBI Eur J Med Chem 44: 3798-804 (2009) Hamdard University 2D 3D TSV
19456099 37 Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results.EBI J Med Chem 52: 3869-80 (2009) University of Illinois at Urbana-Champaign 2D 3D TSV
19456097 89 5-hydroxyindole-2-carboxylic acid amides: novel histamine-3 receptor inverse agonists for the treatment of obesity.EBI J Med Chem 52: 3855-68 (2009) F. Hoffmann-La Roche Ltd. 2D 3D TSV
19454370 52 Design, synthesis and primary activity evaluation of L-arginine derivatives as amino-peptidase N/CD13 inhibitors.EBI Bioorg Med Chem 17: 4666-73 (2009) Shandong University 2D 3D TSV
19454369 32 N-Substituted-2-alkyl- and 2-arylnorapomorphines: novel, highly active D2 agonists.EBI Bioorg Med Chem 17: 4756-62 (2009) University of Tartu 2D 3D TSV
19451305 3 The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100.EBI Antimicrob Agents Chemother 53: 2940-8 (2009) National Institute of Infectious Diseases 2D 3D TSV
19450985 27 Synthesis and structure-activity relationships of C-glycosylated oxadiazoles as inhibitors of glycogen phosphorylase.EBI Bioorg Med Chem 17: 4773-85 (2009) University of Debrecen 2D 3D TSV
19450983 74 Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides.BDB Bioorg Med Chem 17: 4503-9 (2009) Universite degli Studi di Firenze 2D 3D TSV
19450982 9 Human sialidase inhibitors: design, synthesis, and biological evaluation of 4-acetamido-5-acylamido-2-fluoro benzoic acids.EBI Bioorg Med Chem 17: 4595-603 (2009) Gifu University 2D 3D TSV
19450980 21 Discovery and structure-guided drug design of inhibitors of 11beta-hydroxysteroid-dehydrogenase type I based on a spiro-carboxamide scaffold.BDB Bioorg Med Chem Lett 19: 3682-5 (2009) Merck-Serono 2D 3D TSV
19447628 7 A versatile photoactivatable probe designed to label the diphosphate binding site of farnesyl diphosphate utilizing enzymes.EBI Bioorg Med Chem 17: 4797-805 (2009) University of Minnesota 2D 3D TSV
19447622 128 The discovery of the potent aurora inhibitor MK-0457 (VX-680).EBI Bioorg Med Chem Lett 19: 3586-92 (2009) Vertex Pharmaceuticals (Europe) Ltd 2D 3D TSV
19447620 24 In vitro inhibition of human erythrocyte glutathione reductase by some new organic nitrates.EBI Bioorg Med Chem Lett 19: 3661-3 (2009) Atat£rk University 2D 3D TSV
19447619 3 Preparation of L-proline based aeruginosin 298-A analogs: optimization of the P1-moiety.EBI Bioorg Med Chem Lett 19: 3798-803 (2009) University of New Orleans 2D 3D TSV
19447617 1 Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screening.EBI Bioorg Med Chem Lett 19: 3598-601 (2009) Semmelweis University 2D 3D TSV
19447614 1 Serratezomines D and E, new Lycopodium alkaloids from Lycopodium serratum var. serratum.EBI Bioorg Med Chem Lett 19: 3577-80 (2009) Hokkaido University 2D 3D TSV
19447613 9 Nocathiacin analogs: Synthesis and antibacterial activity of novel water-soluble amides.EBI Bioorg Med Chem Lett 19: 3531-5 (2009) Merck Research Laboratories 2D 3D TSV
19447612 59 Optimization of 5-phenyl-3-pyridinecarbonitriles as PKCtheta inhibitors.EBI Bioorg Med Chem Lett 19: 3623-6 (2009) Wyeth Research 2D 3D TSV
19447610 39 Discovery of novel arylpyrazole series as potent and selective opioid receptor-like 1 (ORL1) antagonists.BDB Bioorg Med Chem Lett 19: 3627-31 (2009) Banyu Pharmaceutical Co. 2D 3D TSV
19447527 2 Design, synthesis and pharmacological evaluation of new 1-[3-(4-arylpiperazin-1-yl)-2-hydroxy-propyl]-3,3-diphenylpyrrolidin-2-one derivatives with antiarrhythmic, antihypertensive, and alpha-adrenolytic activity.EBI Eur J Med Chem 44: 3994-4003 (2009) Jagiellonian University Medical College 2D 3D TSV
19447040 31 Quinazolindione derivatives as potent 5-HT3A receptor antagonists.EBI Bioorg Med Chem 17: 4793-6 (2009) Konkuk University 2D 3D TSV
19447036 12 Design and synthesis of 3-alkyl-2-aryl-1,3-thiazinan-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors.EBI Bioorg Med Chem Lett 19: 3162-5 (2009) Shahid Beheshti University (M.C) 2D 3D TSV
19447035 16 Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay.EBI Bioorg Med Chem Lett 19: 3188-92 (2009) Singapore Polytechnic 2D 3D TSV
19447034 76 Discovery of selective PDE4B inhibitors.EBI Bioorg Med Chem Lett 19: 3174-6 (2009) Asahi Kasei Pharma Corporation 2D 3D TSV
19446931 3 New potential AChE inhibitor candidates.EBI Eur J Med Chem 44: 3754-9 (2009) Universidade Bras£lia 2D 3D TSV
19445513 82 Fluorinated isatin derivatives. Part 2. New N-substituted 5-pyrrolidinylsulfonyl isatins as potential tools for molecular imaging of caspases in apoptosis.EBI J Med Chem 52: 3484-95 (2009) Westfalische Wilhelms-Universitat 2D 3D TSV
19445453 87 Structure-activity relationships comparing N-(6-methylpyridin-yl)-substituted aryl amides to 2-methyl-6-(substituted-arylethynyl)pyridines or 2-methyl-4-(substituted-arylethynyl)thiazoles as novel metabotropic glutamate receptor subtype 5 antagonists.EBI J Med Chem 52: 3563-75 (2009) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
19443226 10 Glycogen phosphorylase inhibitory effects of 2-oxo-1,2-dihydropyridin-3-yl amide derivatives.BDB Bioorg Med Chem 17: 4724-33 (2009) Griffith University 2D 3D TSV
19443219 39 Discovery and SAR of novel mGluR5 non-competitive antagonists not based on an MPEP chemotype.EBI Bioorg Med Chem Lett 19: 3209-13 (2009) Vanderbilt University Medical Center 2D 3D TSV
19443217 60 Synthesis and biological evaluation of novel gamma-carboline analogues of Dimebon as potent 5-HT6 receptor antagonists.EBI Bioorg Med Chem Lett 19: 3183-7 (2009) Chemical Diversity Research Institute 2D 3D TSV
19443216 17 Discovery of a potent and brain penetrant mGluR5 positive allosteric modulator.EBI Bioorg Med Chem Lett 19: 3275-8 (2009) H. Lundbeck A/S 2D 3D TSV
19443215 74 A novel class of H3 antagonists derived from the natural product guided synthesis of unnatural analogs of the marine bromopyrrole alkaloid dispyrin.EBI Bioorg Med Chem Lett 19: 3204-8 (2009) Vanderbilt University 2D 3D TSV
19442525 10 A novel photoaffinity ligand for the dopamine transporter based on pyrovalerone.EBI Bioorg Med Chem 17: 3770-4 (2009) Duquesne University Mylan School of Pharmacy 2D 3D TSV
19442519 14 The discovery of novel calcium sensing receptor negative allosteric modulators.EBI Bioorg Med Chem Lett 19: 3328-32 (2009) Pfizer Inc. 2D 3D TSV
19441846 35 Discovery of a potent class I selective ketone histone deacetylase inhibitor with antitumor activity in vivo and optimized pharmacokinetic properties.EBI J Med Chem 52: 3453-6 (2009) IRBM/Merck Research Laboratories 2D 3D TSV
19441819 17 Discovery of N-{N-[(3-cyanophenyl)sulfonyl]-4(R)-cyclobutylamino-(L)-prolyl}-4-[(3',5'-dichloroisonicotinoyl) amino]-(L)-phenylalanine (MK-0668), an extremely potent and orally active antagonist of very late antigen-4.EBI J Med Chem 52: 3449-52 (2009) Merck Research Laboratories 2D 3D TSV
19438240 8 Design, synthesis, and biological activity of isophthalic acid derivatives targeted to the C1 domain of protein kinase C.EBI J Med Chem 52: 3969-81 (2009) University of Helsinki 2D 3D TSV
19438238 45 Discovery of the first highly M5-preferring muscarinic acetylcholine receptor ligand, an M5 positive allosteric modulator derived from a series of 5-trifluoromethoxy N-benzyl isatins.EBI J Med Chem 52: 3445-8 (2009) Vanderbilt University Medical Center 2D 3D TSV
19438227 71 Discovery, SAR, and pharmacokinetics of a novel 3-hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors.BDB J Med Chem 52: 3576-85 (2009) Pfizer 2D 3D TSV
19438226 80 Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273.EBI J Med Chem 52: 4063-7 (2009) Istanbul University 2D 3D TSV
19435668 20 Biological activity of endomorphin and [Dmt1]endomorphin analogs with six-membered proline surrogates in position 2.EBI Bioorg Med Chem 17: 3789-94 (2009) Medical University of Lodz 2D 3D TSV
19435665 33 Pyridones as glucokinase activators: identification of a unique metabolic liability of the 4-sulfonyl-2-pyridone heterocycle.EBI Bioorg Med Chem Lett 19: 3247-52 (2009) Pfizer Inc. 2D 3D TSV
19435663 63 Carbonic anhydrase inhibitors. Phenacetyl-, pyridylacetyl- and thienylacetyl-substituted aromatic sulfonamides act as potent and selective isoform VII inhibitors.EBI Bioorg Med Chem Lett 19: 3170-3 (2009) Istanbul University 2D 3D TSV
19435661 19 1-[4-(N-Benzylamino)phenyl]-3-phenylurea derivatives as a new class of hypoxia-inducible factor-1alpha inhibitors.EBI Bioorg Med Chem Lett 19: 3166-9 (2009) Gakushuin University 2D 3D TSV
19435366 34 Rational design, synthesis, and pharmacological properties of new 1,8-naphthyridin-2(1H)-on-3-carboxamide derivatives as highly selective cannabinoid-2 receptor agonists.EBI J Med Chem 52: 3644-51 (2009) Universita di Pisa 2D 3D TSV
19434638 66 Synthesis and in vitro activity of heterocyclic inhibitors of CYP2A6 and CYP2A13, two cytochrome P450 enzymes present in the respiratory tract.BDB Chembiochem 10: 1562-7 (2009) University of Basel 2D 3D TSV
19433358 19 Identification of a novel series of 3-piperidinyl-5-sulfonylindazoles as potent 5-HT6 ligands.EBI Bioorg Med Chem Lett 19: 3214-6 (2009) Wyeth Research 2D 3D TSV
19433357 88 Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors.BDB Bioorg Med Chem Lett 19: 3344-7 (2009) The Scripps Research Institute 2D 3D TSV
19433355 156 Tricyclic thienopyridine-pyrimidones/thienopyrimidine-pyrimidones as orally efficacious mGluR1 antagonists for neuropathic pain.EBI Bioorg Med Chem Lett 19: 3199-203 (2009) Schering-Plough Research Institute 2D 3D TSV
19433354 13 Design, synthesis and biological evaluation of novel substituted benzoylguanidine derivatives as potent Na+/H+ exchanger inhibitors.EBI Bioorg Med Chem Lett 19: 3283-7 (2009) China Pharmaceutical University 2D 3D TSV
19432422 16 Nonsteroidal selective androgen receptor modulators (SARMs): dissociating the anabolic and androgenic activities of the androgen receptor for therapeutic benefit.EBI J Med Chem 52: 3597-617 (2009) GTx, Inc. 2D 3D TSV
19432421 31 New insight into the binding mode of peptide ligands at Urotensin-II receptor: structure-activity relationships study on P5U and urantide.EBI J Med Chem 52: 3927-40 (2009) University of Naples Federico II 2D 3D TSV
19430488 3 In vivo effects of a GPR30 antagonist.EBI Nat Chem Biol 5: 421-7 (2009) University of New Mexico Health Sciences Center 2D 3D TSV
19428251 38 Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity.EBI Bioorg Med Chem Lett 19: 3253-8 (2009) Pfizer Inc. 2D 3D TSV
19428250 5 Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids.EBI Bioorg Med Chem Lett 19: 3233-7 (2009) McMaster University 2D 3D TSV
19428244 60 Second generation of BACE-1 inhibitors. Part 1: The need for improved pharmacokinetics.BDB Bioorg Med Chem Lett 19: 3664-8 (2009) GSK 2D 3D TSV
19428156 30 Discovery of potential new InhA direct inhibitors based on pharmacophore and 3D-QSAR analysis followed by in silico screening.EBI Eur J Med Chem 44: 3718-30 (2009) China Pharmaceutical University 2D 3D TSV
19427223 68 Structure-activity relationships of 3,5-disubstituted benzamides as glucokinase activators with potent in vivo efficacy.EBI Bioorg Med Chem 17: 3800-9 (2009) Banyu Tsukuba Research Institute 2D 3D TSV
19427222 44 Investigation of various N-heterocyclic substituted piperazine versions of 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol: effect on affinity and selectivity for dopamine D3 receptor.EBI Bioorg Med Chem 17: 3923-33 (2009) Wayne State University 2D 3D TSV
19427206 5 The influence of double bond geometry in the inhibition of cyclooxygenases by sulindac derivatives.EBI Bioorg Med Chem Lett 19: 3271-4 (2009) Vanderbilt University School of Medicine 2D 3D TSV
19427203 28 Synthetic staurosporines via a ring closing metathesis strategy as potent JAK3 inhibitors and modulators of allergic responses.EBI Bioorg Med Chem Lett 19: 3333-8 (2009) Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 2D 3D TSV
19427202 8 Natural product inhibitors of protein-protein interactions mediated by Src-family SH2 domains.EBI Bioorg Med Chem Lett 19: 3305-9 (2009) Max Planck Institute of Biochemistry 2D 3D TSV
19425598 61 Specific targeting of peripheral serotonin 5-HT(3) receptors. Synthesis, biological investigation, and structure-activity relationships.EBI J Med Chem 52: 3548-62 (2009) European Research Centre for Drug Discovery and Development 2D 3D TSV
19425594 43 Altered enthalpy-entropy compensation in picomolar transition state analogues of human purine nucleoside phosphorylase.BDB Biochemistry 48: 5226-38 (2009) Albert Einstein College of Medicine 2D 3D TSV
19423356 1 Synthesis and biological evaluation of 3,4,6-triaryl-2-pyranones as a potential new class of anti-breast cancer agents.EBI Bioorg Med Chem 17: 3847-56 (2009) Central Drug Research Institute 2D 3D TSV
19423354 26 Design and synthesis of novel chloramphenicol amine derivatives as potent aminopeptidase N (APN/CD13) inhibitors.EBI Bioorg Med Chem 17: 3810-7 (2009) Shandong University 2D 3D TSV
19423348 1 Analysis of HIF-1 inhibition by manassantin A and analogues with modified tetrahydrofuran configurations.EBI Bioorg Med Chem Lett 19: 3783-6 (2009) Duke University 2D 3D TSV
19423346 8 A new series of 3-phenylcoumarins as potent and selective MAO-B inhibitors.EBI Bioorg Med Chem Lett 19: 3268-70 (2009) Facultad de Farmacia 2D 3D TSV
19423344 83 Novel 1-(2-aminopyrazin-3-yl)methyl-2-thioureas as potent inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2).EBI Bioorg Med Chem Lett 19: 3238-42 (2009) Merck Research Laboratories 2D 3D TSV
19423342 10 Novel carbamate cholinesterase inhibitors that release biologically active amines following enzyme inhibition.EBI Bioorg Med Chem Lett 19: 3243-6 (2009) Sention Inc. 2D 3D TSV
19423341 6 Design, synthesis and insulin-sensitizing activity of indomethacin and diclofenac derivatives.EBI Bioorg Med Chem Lett 19: 3324-7 (2009) Guiyang Medical College 2D 3D TSV
19422229 125 Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13.BDB J Med Chem 52: 3523-38 (2009) Novartis 2D 3D TSV
19422203 1 Pyrrolidinoindoline alkaloids from Selaginella moellendorfii.EBI J Nat Prod 72: 1151-4 (2009) Chinese Academy of Sciences 2D 3D TSV
19419876 31 A library of novel allosteric inhibitors against fructose 1,6-bisphosphatase.EBI Bioorg Med Chem 17: 3916-22 (2009) Boston College 2D 3D TSV
19419868 7 Synthesis and P2Y receptor activity of nucleoside 5'-phosphonate derivatives.EBI Bioorg Med Chem Lett 19: 3002-5 (2009) Ghent University 2D 3D TSV
19419866 24 Optimization of pyrazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1).EBI Bioorg Med Chem Lett 19: 2924-7 (2009) Bristol-Myers Squibb Pharmaceutical Research and Development 2D 3D TSV
19419863 58 Isoxazole moiety in the linker region of HDAC inhibitors adjacent to the Zn-chelating group: effects on HDAC biology and antiproliferative activity.EBI Bioorg Med Chem Lett 19: 3023-6 (2009) University of Illinois at Chicago 2D 3D TSV
19419861 18 Dinitroglyceryl and diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of aspirin, indomethacin and ibuprofen: synthesis, biological evaluation and nitric oxide release studies.EBI Bioorg Med Chem Lett 19: 3014-8 (2009) University of Alberta 2D 3D TSV
19419206 77 Identification of 3-acetyl-2-aminoquinolin-4-one as a novel, nonpeptidic scaffold for specific calpain inhibitory activity.EBI J Med Chem 52: 3093-7 (2009) Ewha Womans University 2D 3D TSV
19419205 28 Design, synthesis, and biological activity of boronic acid-based histone deacetylase inhibitors.EBI J Med Chem 52: 2909-22 (2009) Nagoya City University 2D 3D TSV
19419204 14 Key determinants of nucleotide-activated G protein-coupled P2Y(2) receptor function revealed by chemical and pharmacological experiments, mutagenesis and homology modeling.EBI J Med Chem 52: 2762-75 (2009) University of Bonn 2D 3D TSV
19419203 12 Structure-based discovery of triphenylmethane derivatives as inhibitors of hepatitis C virus helicase.BDB J Med Chem 52: 2716-23 (2009) National Taiwan University 2D 3D TSV
19419202 41 Novel cambinol analogs as sirtuin inhibitors: synthesis, biological evaluation, and rationalization of activity.BDB J Med Chem 52: 2673-82 (2009) University of St Andrews 2D 3D TSV
19419141 23 Discovery of 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide (A-867744) as a novel positive allosteric modulator of the alpha7 nicotinic acetylcholine receptor.EBI J Med Chem 52: 3377-84 (2009) Abbott Laboratories 2D 3D TSV
19418631 15 Arginine vasopressin and its analogues--the influence of position 2 modification with 3,3-diphenylalanine enantiomers. Highly potent V2 agonists.EBI Eur J Med Chem 44: 2862-67 (2009) University of Gdansk 2D 3D TSV
19414267 49 Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: synthesis, pharmacological evaluation, and cross-target QSAR studies.EBI Bioorg Med Chem 17: 3987-94 (2009) VU University Amsterdam 2D 3D TSV
19414265 12 Cyclobutane-containing peptides: evaluation as novel metallocarboxypeptidase inhibitors and modelling of their mode of action.EBI Bioorg Med Chem 17: 3824-8 (2009) Universitat Autònoma de Barcelona 2D 3D TSV
19414260 85 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists.EBI Bioorg Med Chem Lett 19: 3113-7 (2009) Pfizer Global Research and Development 2D 3D TSV
19414258 8 Privileged structure-guided synthesis of quinazoline derivatives as inhibitors of trypanothione reductase.EBI Bioorg Med Chem Lett 19: 3031-5 (2009) Alma Mater Studiorum-Bologna University 2D 3D TSV
19414255 58 Structure-based design of 3-aryl-6-amino-triazolo[4,3-b]pyridazine inhibitors of Pim-1 kinase.EBI Bioorg Med Chem Lett 19: 3019-22 (2009) Vertex Pharmaceuticals Inc 2D 3D TSV
19414254 6 Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid.EBI Bioorg Med Chem Lett 19: 2920-3 (2009) Osaka Prefecture University 2D 3D TSV
19413326 14 Discovery of antibacterial biotin carboxylase inhibitors by virtual screening and fragment-based approaches.BDB ACS Chem Biol 4: 473-83 (2009) Pfizer 2D 3D TSV
19413310 152 Molecular and conformational determinants of pituitary adenylate cyclase-activating polypeptide (PACAP) for activation of the PAC1 receptor.EBI J Med Chem 52: 3308-16 (2009) Institut National de la Recherche Scientifique 2D 3D TSV
19410464 71 Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors.EBI Bioorg Med Chem 17: 3857-65 (2009) Wyeth Research 2D 3D TSV
19410460 80 Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064.EBI Bioorg Med Chem Lett 19: 2969-73 (2009) GlaxoSmithKline 2D 3D TSV
19410459 33 Histone deacetylase inhibitors with a primary amide zinc binding group display antitumor activity in xenograft model.EBI Bioorg Med Chem Lett 19: 3081-4 (2009) IRBM/Merck Research Laboratories 2D 3D TSV
19410457 50 Structure-activity relationship studies of small-molecule inhibitors of Wnt response.EBI Bioorg Med Chem Lett 19: 3825-7 (2009) The University of Texas Southwestern Medical Center at Dallas 2D 3D TSV
19410454 26 Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening.EBI Bioorg Med Chem Lett 19: 2965-8 (2009) Merck & Co 2D 3D TSV
19410451 31 The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter.EBI Bioorg Med Chem Lett 19: 2974-6 (2009) Pfizer Global Research and Development 2D 3D TSV
19410338 44 Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data.EBI Eur J Med Chem 44: 3712-7 (2009) Universit£ degli Studi di Siena 2D 3D TSV
19409795 186 Design, parallel synthesis, and crystal structures of biphenyl antithrombotics as selective inhibitors of tissue factor FVIIa complex. Part 1: Exploration of S2 pocket pharmacophores.BDB Bioorg Med Chem 17: 3934-58 (2009) BioCryst Pharmaceuticals 2D 3D TSV
19409780 11 Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1.EBI Bioorg Med Chem Lett 19: 2977-80 (2009) Merck Research Laboratories 2D 3D TSV
19408950 158 SAR studies for a new class of antibacterial NAD biosynthesis inhibitors.BDB J Comb Chem 11: 617-25 (2009) University of Alabama at Birmingham 2D 3D TSV
19406641 12 Conformational analysis of N,N-disubstituted-1,4-diazepane orexin receptor antagonists and implications for receptor binding.EBI Bioorg Med Chem Lett 19: 2997-3001 (2009) Merck Research Laboratories 2D 3D TSV
19406640 58 Second generation of BACE-1 inhibitors part 3: Towards non hydroxyethylamine transition state mimetics.BDB Bioorg Med Chem Lett 19: 3674-8 (2009) GSK 2D 3D TSV
19406638 35 Predictive models of Cannabinoid-1 receptor antagonists derived from diverse classes.EBI Bioorg Med Chem Lett 19: 2990-6 (2009) Korea Research Institute of Chemical Technology 2D 3D TSV
19405528 45 Potent cytotoxic C-11 modified geldanamycin analogues.EBI J Med Chem 52: 3265-73 (2009) Kosan Biosciences, Inc. 2D 3D TSV
19403308 36 Discovery of novel spiro-piperidine derivatives as highly potent and selective melanin-concentrating hormone 1 receptor antagonists.EBI Bioorg Med Chem Lett 19: 3072-7 (2009) Tsukuba Research Institute 2D 3D TSV
19402666 2 Synthesis and biological characterization of B-ring amino analogues of potent benzothiadiazine hepatitis C virus polymerase inhibitors.EBI J Med Chem 52: 3174-83 (2009) Abbott Laboratories 2D 3D TSV
19402665 29 Rhodamine inhibitors of P-glycoprotein: an amide/thioamide"switch" for ATPase activity.EBI J Med Chem 52: 3328-41 (2009) The State University of New York 2D 3D TSV
19402664 2 Glucose promoiety enables glucose transporter mediated brain uptake of ketoprofen and indomethacin prodrugs in rats.EBI J Med Chem 52: 3348-53 (2009) University of Kuopio 2D 3D TSV
19402633 53 A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.BDB J Med Chem 52: 3300-7 (2009) Genentech 2D 3D TSV
19402630 3 New 1alpha,25-dihydroxy-19-norvitamin D(3) compounds constrained in a single A-ring conformation: synthesis of the analogues by ring-closing metathesis route and their biological evaluation.EBI J Med Chem 52: 3496-504 (2009) University of Wisconsin-Madison 2D 3D TSV
19398642 10 GS-9191 is a novel topical prodrug of the nucleotide analog 9-(2-phosphonylmethoxyethyl)guanine with antiproliferative activity and possible utility in the treatment of human papillomavirus lesions.EBI Antimicrob Agents Chemother 53: 2777-84 (2009) USA. 2D 3D TSV
19398343 48 1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships.EBI Bioorg Med Chem 17: 3618-29 (2009) Universidade de Santiago de Compostela 2D 3D TSV
19398333 29 Chloro-oxime derivatives as novel small molecule chaperone amplifiers.EBI Bioorg Med Chem Lett 19: 3128-35 (2009) CytRx Corporation 2D 3D TSV
19398205 29 Design, synthesis, and biological evaluation of novel diarylalkyl amides as TRPV1 antagonists.EBI Bioorg Med Chem 17: 3557-67 (2009) Seoul National University 2D 3D TSV
19398204 44 Synthesis and evaluation of pharmacological profile of 1-aryl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamides.EBI Bioorg Med Chem 17: 3659-64 (2009) Universit£ di Messina 2D 3D TSV
19398200 45 Optimization of benzimidazole series as opioid receptor-like 1 (ORL1) antagonists: SAR study directed toward improvement of selectivity over hERG activity.BDB Bioorg Med Chem Lett 19: 3100-3 (2009) Banyu Pharmaceutical Co. 2D 3D TSV
19398199 24 Aryl sulfonamido tetralin inhibitors of the Kv1.5 ion channel.EBI Bioorg Med Chem Lett 19: 3063-6 (2009) Icagen Inc 2D 3D TSV
19397324 63 Synthesis and biological activities of topoisomerase I inhibitors, 6-arylmethylamino analogues of edotecarin.EBI J Med Chem 52: 3225-37 (2009) Tsukuba Research Institute 2D 3D TSV
19397322 58 Synthesis, activity, and pharmacophore development for isatin-beta-thiosemicarbazones with selective activity toward multidrug-resistant cells.EBI J Med Chem 52: 3191-204 (2009) National Cancer Institute 2D 3D TSV
19397270 122 Discovery and biological evaluation of novel cyanoguanidine P2X(7) antagonists with analgesic activity in a rat model of neuropathic pain.EBI J Med Chem 52: 3366-76 (2009) Abbott Laboratories 2D 3D TSV
19397269 16 Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1).EBI J Med Chem 52: 3259-64 (2009) Monash University (Parkville Campus) 2D 3D TSV
19397268 21 Rational design and synthesis of highly potent pharmacological chaperones for treatment of N370S mutant Gaucher disease.EBI J Med Chem 52: 3146-9 (2009) Peking University 2D 3D TSV
19396179 11 A new screening assay for allosteric inhibitors of cSrc.BDB Nat Chem Biol 5: 394-6 (2009) Chemical Genomics Centre of the Max Planck Society 2D 3D TSV
19396178 6 Impact of linker strain and flexibility in the design of a fragment-based inhibitor.BDB Nat Chem Biol 5: 407-13 (2009) Johns Hopkins University 2D 3D TSV
19395260 29 Discovery and structure-activity relationships of pentanedioic acid diamides as potent inhibitors of 11beta-hydroxysteroid dehydrogenase type I.EBI Bioorg Med Chem Lett 19: 2674-8 (2009) Merck-Serono 2D 3D TSV
19395258 8 Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens.EBI Bioorg Med Chem Lett 19: 2630-3 (2009) Kitasato University 2D 3D TSV
19394833 9 Synthesis of spirocyclic sigma1 receptor ligands as potential PET radiotracers, structure-affinity relationships and in vitro metabolic stability.EBI Bioorg Med Chem 17: 3630-41 (2009) Institut für Pharmazeutische und Medizinische Chemie der Universität Münster 2D 3D TSV
19394832 74 Discovery and SAR of cinnolines/quinolines as liver X receptor (LXR) agonists with binding selectivity for LXRbeta.EBI Bioorg Med Chem 17: 3519-27 (2009) Wyeth Research 2D 3D TSV
19394822 7 Inhibition of Pseudomonas aeruginosa quorum sensing by AI-2 analogs.EBI Bioorg Med Chem Lett 19: 3941-4 (2009) Ben-Gurion University of the Negev 2D 3D TSV
19394821 4 3-(aminomethyl)piperazine-2,5-dione as a novel NMDA glycine site inhibitor from the chemical universe database GDB.EBI Bioorg Med Chem Lett 19: 3832-5 (2009) University of Berne 2D 3D TSV
19394231 2 Steroidal bivalent ligands for the estrogen receptor: design, synthesis, characterization and binding affinities.EBI Bioorg Med Chem 17: 3528-35 (2009) University of Illinois at Urbana-Champaign 2D 3D TSV
19394229 9 2,4(5)-diarylimidazoles as inhibitors of hNaV1.2 sodium channels: pharmacological evaluation and structure-property relationships.EBI Bioorg Med Chem 17: 3642-8 (2009) Università degli Studi di Parma 2D 3D TSV
19394223 50 Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.EBI Bioorg Med Chem Lett 19: 3136-40 (2009) GlaxoSmithKline 2D 3D TSV
19394221 2 Application of combinatorial biocatalysis for a unique ring expansion of dihydroxymethylzearalenone.EBI Bioorg Med Chem Lett 19: 3059-62 (2009) AMRI 2D 3D TSV
19394220 71 Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks.EBI Bioorg Med Chem Lett 19: 3118-21 (2009) Pfizer Global Research and Development 2D 3D TSV
19394219 40 Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors.EBI Bioorg Med Chem Lett 19: 3050-3 (2009) CV Therapeutics, Inc 2D 3D TSV
19394217 14 2-Cyclohexylcarbonylbenzimidazoles as potent, orally available and brain-penetrable opioid receptor-like 1 (ORL1) antagonists.BDB Bioorg Med Chem Lett 19: 3096-9 (2009) Banyu Pharmaceutical Co. 2D 3D TSV
19394116 14 Phenethyl pyridines with non-polar internal substituents as selective ligands for estrogen receptor beta.EBI Eur J Med Chem 44: 3560-70 (2009) University of Illinois 2D 3D TSV
19389627 2 Discovery and characterization of a highly selective FAAH inhibitor that reduces inflammatory pain.BDB Chem Biol 16: 411-20 (2009) Pfizer 2D 3D TSV
19388706 2 Inhibition studies of bovine xanthine oxidase by luteolin, silibinin, quercetin, and curcumin.EBI J Nat Prod 72: 725-31 (2009) University of California 2D 3D TSV
19388677 10 Discovery process and pharmacological characterization of 2-(S)-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethylphenyl)ethyl]methylamide (vestipitant) as a potent, selective, and orally active NK1 receptor antagonist.EBI J Med Chem 52: 3238-47 (2009) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
19388676 21 Novel, broad-spectrum anticonvulsants containing a sulfamide group: advancement of N-((benzo[b]thien-3-yl)methyl)sulfamide (JNJ-26990990) into human clinical studies.EBI J Med Chem 52: 7528-36 (2009) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
19388647 50 Synthesis and evaluation of a novel indoledione class of long chain fatty acid elongase 6 (ELOVL6) inhibitors.EBI J Med Chem 52: 3142-5 (2009) Tsukuba Research Institute 2D 3D TSV
19386498 3 Synthesis of analogs of forodesine HCl, a human purine nucleoside phosphorylase inhibitor-Part I.EBI Bioorg Med Chem Lett 19: 2624-6 (2009) BioCryst Pharmaceuticals Inc. 2D 3D TSV
19386496 3 Synthesis of analogs of forodesine HCl, a human purine nucleoside phosphorylase inhibitor-Part II.EBI Bioorg Med Chem Lett 19: 2627-9 (2009) BioCryst Pharmaceuticals Inc. 2D 3D TSV
19386397 76 A new type of five-membered heterocyclic inhibitors of basic metallocarboxypeptidases.EBI Eur J Med Chem 44: 3266-71 (2009) Universitat Aut£noma de Barcelona 2D 3D TSV
19385640 1 2009 Edward E Smissman Award. Pharmaceutical"gold" from neurostabilizing agents: topiramate and successor molecules.EBI J Med Chem 52: 3431-40 (2009) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
19385614 303 Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes.EBI J Med Chem 52: 3159-65 (2009) Abbott Laboratories 2D 3D TSV
19385613 60 Human glucagon receptor antagonists with thiazole cores. A novel series with superior pharmacokinetic properties.BDB J Med Chem 52: 2989-3000 (2009) Novo Nordisk A/S 2D 3D TSV
19380225 5 Rapid identification of improved protein ligands using peptoid microarrays.EBI Bioorg Med Chem Lett 19: 3866-9 (2009) University of Texas Southwestern Medical Center 2D 3D TSV
19379015 40 Conformationally constrained analogues of diacylglycerol (DAG). 31. Modulation of the biological properties of diacylgycerol lactones (DAG-lactones) containing rigid-rod acyl groups separated from the core lactone by spacer units of different lengths.EBI J Med Chem 52: 3274-83 (2009) National Cancer Institute-Frederick 2D 3D TSV
19379014 2 An innovative method to study target protein-drug interactions by mass spectrometry.EBI J Med Chem 52: 2875-9 (2009) Martin-Luther-Universität Halle-Wittenberg 2D 3D TSV
19378991 40 Chalcones: a valid scaffold for monoamine oxidases inhibitors.BDB J Med Chem 52: 2818-24 (2009) Universita degli Studi di Roma La Sapienza 2D 3D TSV
19376703 71 Synthesis and SAR of amino acid-derived heterocyclic progesterone receptor full and partial agonists.EBI Bioorg Med Chem Lett 19: 2637-41 (2009) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
19376700 21 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline-based PPARalpha/gamma agonists. Part. II: Synthesis and pharmacological evaluation of oxime and acidic head group structural variations.EBI Bioorg Med Chem Lett 19: 2683-7 (2009) UMR GICC 2D 3D TSV
19376699 24 Synthesis, initial SAR and biological evaluation of 1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-4-amine derived inhibitors of IkappaB kinase.EBI Bioorg Med Chem Lett 19: 2646-9 (2009) Bristol-Myers Squibb Research and Development 2D 3D TSV
19376698 16 Aryloxypyrazines as highly selective antagonists of Oxytocin.EBI Bioorg Med Chem Lett 19: 2634-6 (2009) Pfizer Global Research and Development 2D 3D TSV
19375920 30 Structure-activity relationships of truncated adenosine derivatives as highly potent and selective human A3 adenosine receptor antagonists.EBI Bioorg Med Chem 17: 3733-8 (2009) Ewha Womans University 2D 3D TSV
19375914 116 Synthesis and SAR of hydroxyethylamine based phenylcarboxyamides as inhibitors of BACE.EBI Bioorg Med Chem Lett 19: 2654-60 (2009) Bristol-Myers Squibb Research and Development 2D 3D TSV
19375913 25 Triazinediones as prokineticin 1 receptor antagonists. Part 1: SAR, synthesis and biological evaluation.EBI Bioorg Med Chem Lett 19: 2661-3 (2009) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
19375309 51 Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids.EBI Bioorg Med Chem Lett 19: 2642-5 (2009) Universit£ degli Studi di Firenze 2D 3D TSV
19375196 22 Synthesis and evaluation of structurally constrained imidazolidin derivatives as potent dipeptidyl peptidase IV inhibitors.EBI Eur J Med Chem 44: 3318-22 (2009) Sichuan University 2D 3D TSV
19374444 45 Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease.BDB J Med Chem 52: 2724-32 (2009) CSIC 2D 3D TSV
19374402 1 Sequence-derived three-dimensional pharmacophore models for G-protein-coupled receptors and their application in virtual screening.EBI J Med Chem 52: 2923-32 (2009) Sanofi-Aventis Deutschland GmbH 2D 3D TSV
19374401 103 Discovery of inducible nitric oxide synthase (iNOS) inhibitor development candidate KD7332, part 1: Identification of a novel, potent, and selective series of quinolinone iNOS dimerization inhibitors that are orally active in rodent pain models.BDB J Med Chem 52: 3047-62 (2009) Kalypsys Inc. 2D 3D TSV
19371039 14 Synthesis and biological activity of a novel series of 6-substituted thieno[2,3-d]pyrimidine antifolate inhibitors of purine biosynthesis with selectivity for high affinity folate receptors over the reduced folate carrier and proton-coupled folate transporter for cellular entry.