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17999461 52 Coumarin-based inhibitors of human NAD(P)H:quinone oxidoreductase-1. Identification, structure-activity, off-target effects and in vitro human pancreatic cancer toxicity.EBI J Med Chem 50: 6316-25 (2007) University of Manchester 2D 3D TSV
17998161 19 Multi-target-directed coumarin derivatives: hAChE and BACE1 inhibitors as potential anti-Alzheimer compounds.EBI Bioorg Med Chem Lett 18: 423-6 (2008) University of Bologna 2D 3D TSV
17998160 101 Cyclic guanidines as dual 5-HT5A/5-HT7 receptor ligands: structure-activity relationship elucidation.EBI Bioorg Med Chem Lett 18: 256-61 (2008) F. Hoffmann-La Roche Ltd 2D 3D TSV
17997320 29 Novel pyrazolo[1,5-a]pyrimidines as c-Src kinase inhibitors that reduce IKr channel blockade.EBI Bioorg Med Chem 16: 909-21 (2008) Kissei Pharmaceutical Company Ltd 2D 3D TSV
17996450 29 2D QSAR and similarity studies on cruzain inhibitors aimed at improving selectivity over cathepsin L.EBI Bioorg Med Chem 16: 838-53 (2008) Universidade de S£o Paulo 2D 3D TSV
17994701 12 Cytochrome P3A4 inhibitors and other constituents of Fibraurea tinctoria.EBI J Nat Prod 70: 1930-3 (2007) National Cheng Kung University 2D 3D TSV
17994684 48 Structure-based design, synthesis, and biological evaluation of indomethacin derivatives as cyclooxygenase-2 inhibiting nitric oxide donors.EBI J Med Chem 50: 6367-82 (2007) NitroMed, Inc. 2D 3D TSV
17994683 55 Design, synthesis, in vitro, and in vivo characterization of phenylpiperazines and pyridinylpiperazines as potent and selective antagonists of the melanocortin-4 receptor.EBI J Med Chem 50: 6356-66 (2007) Neurocrine Biosciences, Inc. 2D 3D TSV
17994682 11 Synthesis and nicotinic acetylcholine receptor binding properties of bridged and fused ring analogues of epibatidine.EBI J Med Chem 50: 6383-91 (2007) Research Triangle Institute 2D 3D TSV
17994679 18 Discovery of biaryl anthranilides as full agonists for the high affinity niacin receptor.BDB J Med Chem 50: 6303-6 (2007) Merck Research Laboratories 2D 3D TSV
17993277 42 Design of new potent and selective secretory phospholipase A2 inhibitors. Part 5: synthesis and biological activity of 1-alkyl-4-[4,5-dihydro-1,2,4-[4H]-oxadiazol-5-one-3-ylmethylbenz-4'-yl(oyl)] piperazines.BDB Bioorg Med Chem 16: 1242-53 (2008) Universite Paris 7-Denis Diderot 2D 3D TSV
17990866 24 Discovery of potent& selective inhibitors of activated thrombin-activatable fibrinolysis inhibitor for the treatment of thrombosis.EBI J Med Chem 50: 6095-103 (2007) Pfizer Global Research and Development 2D 3D TSV
17988877 60 Characterization of thyroid hormone receptor alpha (TRalpha)-specific analogs with varying inner- and outer-ring substituents.EBI Bioorg Med Chem 16: 762-70 (2008) University of California-San Francisco 2D 3D TSV
17988876 48 Discovery of new MurF inhibitors via pharmacophore modeling and QSAR analysis followed by in-silico screening.EBI Bioorg Med Chem 16: 1218-35 (2008) University of Jordan 2D 3D TSV
17988865 7 Synthesis and evaluation of novel aromatic substrates and competitive inhibitors of GABA aminotransferase.EBI Bioorg Med Chem Lett 18: 3122-5 (2008) Northwestern University 2D 3D TSV
17988864 29 Discovery of amide and heteroaryl isosteres as carbamate replacements in a series of orally active gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 18: 215-9 (2008) Schering-Plough Research Institute 2D 3D TSV
17988766 26 Nitrile analogs of meperidine as high affinity and selective sigma-1 receptor ligands.EBI Eur J Med Chem 43: 1304-8 (2008) University of Maryland 2D 3D TSV
17988109 11 Antibacterial oxazolidinones possessing a novel C-5 side chain. (5R)-trans-3-[3-Fluoro-4- (1-oxotetrahydrothiopyran-4-yl)phenyl]-2- oxooxazolidine-5-carboxylic acid amide (PF-00422602), a new lead compound.EBI J Med Chem 50: 5886-9 (2007) Pfizer Global Research and Development 2D 3D TSV
17988101 7 Solution-phase parallel synthesis of carbamates as gamma-secretase inhibitors.BDB J Comb Chem 10: 56-62 Schering-Plough Research Institute 2D 3D TSV
17988093 7 Scalarane sesterterpenes from a marine sponge of the genus Spongia and their FXR antagonistic activity.EBI J Nat Prod 70: 1691-5 (2007) Seoul National University 2D 3D TSV
17986205 14 New potent indole derivatives as hyaluronidase inhibitors.BDB Chem Biol Drug Des 70: 547-51 (2007) TBA 2D 3D TSV
17985862 45 Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency.EBI J Med Chem 50: 5912-25 (2007) AstraZeneca Pharmaceuticals LP 2D 3D TSV
17985861 5 Discovery of a novel warhead against beta-secretase through fragment-based lead generation.EBI J Med Chem 50: 5903-11 (2007) AstraZeneca R&D 2D 3D TSV
17985859 16 Design and synthesis of indole-based peptoids as potent noncompetitive antagonists of transient receptor potential vanilloid 1.EBI J Med Chem 50: 6133-43 (2007) University of Barcelona 2D 3D TSV
17985858 27 Design and synthesis of novel and potent inhibitors of the type II transmembrane serine protease, matriptase, based upon the sunflower trypsin inhibitor-1.BDB J Med Chem 50: 5976-83 (2007) Georgetown University Medical Center 2D 3D TSV
17983756 55 Novel 2-phenylquinolin-7-yl-derived imidazo[1,5-a]pyrazines as potent insulin-like growth factor-I receptor (IGF-IR) inhibitors.EBI Bioorg Med Chem 16: 1359-75 (2008) OSI Pharmaceuticals, Inc. 2D 3D TSV
17983755 3 Synthesis and characterization of carnitine nitro-derivatives.EBI Bioorg Med Chem 16: 1444-51 (2008) University of Perugia 2D 3D TSV
17983754 21 Synthesis, in vitro characterization, and radiolabeling of reboxetine analogs as potential PET radioligands for imaging the norepinephrine transporter.EBI Bioorg Med Chem 16: 783-93 (2008) Emory University 2D 3D TSV
17983745 4 Discovery of indenopyrazoles as EGFR and VEGFR-2 tyrosine kinase inhibitors by in silico high-throughput screening.EBI Bioorg Med Chem Lett 18: 285-8 (2008) Gakushuin University 2D 3D TSV
17982447 1 Surveying polypeptide and protein domain conformation and association with FlAsH and ReAsH.EBI Nat Chem Biol 3: 779-84 (2007) Yale University 2D 3D TSV
17981808 2 Model structure of the Na+/H+ exchanger 1 (NHE1): functional and clinical implications.EBI J Biol Chem 282: 37854-63 (2007) Tel-Aviv University 2D 3D TSV
17981464 9 Enantioselective actions of 4-amino-3-hydroxybutanoic acid and (3-amino-2-hydroxypropyl)methylphosphinic acid at recombinant GABA(C) receptors.EBI Bioorg Med Chem Lett 18: 402-4 (2008) The University of Sydney 2D 3D TSV
17981461 29 Biphenyl amide p38 kinase inhibitors 2: Optimisation and SAR.BDB Bioorg Med Chem Lett 18: 324-8 (2008) GSK 2D 3D TSV
17981370 45 Novel 9-oxo-thiazolo[5,4-f]quinazoline-2-carbonitrile derivatives as dual cyclin-dependent kinase 1 (CDK1)/glycogen synthase kinase-3 (GSK-3) inhibitors: synthesis, biological evaluation and molecular modeling studies.EBI Eur J Med Chem 43: 1469-77 (2008) Université de Nantes 2D 3D TSV
17981368 22 GRIND-based 3D-QSAR to predict inhibitory activity for similar enzymes, OSC and SHC.EBI Eur J Med Chem 43: 1462-8 (2008) CASMedChem Laboratory 2D 3D TSV
17981367 39 Synthesis and biological activity of imidazopyridine anticoccidial agents: Part II.EBI Eur J Med Chem 43: 1123-51 (2008) SCYNEXIS, Inc. 2D 3D TSV
17981366 9 Syntheses of 4-(indole-3-yl)quinazolines: a new class of epidermal growth factor receptor tyrosine kinase inhibitors.EBI Eur J Med Chem 43: 1478-88 (2008) Freie Universität Berlin 2D 3D TSV
17981041 79 Standard protecting groups create potent and selective kappa opioids: salvinorin B alkoxymethyl ethers.EBI Bioorg Med Chem 16: 1279-86 (2008) McLean Hospital 2D 3D TSV
17981035 7 Design, synthesis, FGF-1 binding, and molecular modeling studies of conformationally flexible heparin mimetic disaccharides.EBI Bioorg Med Chem Lett 18: 344-9 (2008) Progen Pharmaceuticals Limited 2D 3D TSV
17981034 51 1-Hydroxy-2-pyridinone-based MMP inhibitors: synthesis and biological evaluation for the treatment of ischemic stroke.EBI Bioorg Med Chem Lett 18: 409-13 (2008) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
17980586 79 Structure activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 2.EBI Bioorg Med Chem Lett 17: 6841-6 (2007) Lilly Research Laboratories 2D 3D TSV
17980584 72 Discovery of an orally efficaceous 4-phenoxypyrrolidine-based BACE-1 inhibitor.EBI Bioorg Med Chem Lett 18: 418-22 (2008) Schering-Plough Research Institute 2D 3D TSV
17980583 46 Syntheses and in vitro evaluation of arylsulfone-based MMP inhibitors with heterocycle-derived zinc-binding groups (ZBGs).EBI Bioorg Med Chem Lett 18: 405-8 (2008) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
17979261 8 Diaryl dihydropyrazole-3-carboxamides with significant in vivo antiobesity activity related to CB1 receptor antagonism: synthesis, biological evaluation, and molecular modeling in the homology model.EBI J Med Chem 50: 5951-66 (2007) Zydus Research Centre 2D 3D TSV
17977732 15 Binding effect and design of a competitive inhibitory peptide for HMG-CoA reductase through modeling of an active peptide backbone.EBI Bioorg Med Chem 16: 1309-18 (2008) Korea Food Research Institute 2D 3D TSV
17977730 42 Synthesis and evaluation of xanomeline analogs--probing the wash-resistant phenomenon at the M1 muscarinic acetylcholine receptor.EBI Bioorg Med Chem 16: 1376-92 (2008) University of Minnesota 2D 3D TSV
17977729 40 Design and physicochemical properties of new fluorescent ligands of protein kinase C isozymes focused on CH/pi interaction.EBI Bioorg Med Chem 16: 650-7 (2008) Kyoto University 2D 3D TSV
17977726 19 N-(2-Amino-phenyl)-4-(heteroarylmethyl)-benzamides as new histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 17: 6729-33 (2007) MethylGene Inc. 2D 3D TSV
17977725 8 Dipeptidyl-alpha,beta-epoxyesters as potent irreversible inhibitors of the cysteine proteases cruzain and rhodesain.EBI Bioorg Med Chem Lett 17: 6697-700 (2007) Universitat Jaume I 2D 3D TSV
17977724 83 Design and synthesis of potent amido- and benzyl-substituted cis-3-amino-4-(2-cyanopyrrolidide)pyrrolidinyl DPP-IV inhibitors.EBI Bioorg Med Chem Lett 17: 6707-13 (2007) Pfizer Global Research and Development 2D 3D TSV
17976986 80 Design and synthesis of a functionally selective D3 agonist and its in vivo delivery via the intranasal route.EBI Bioorg Med Chem Lett 17: 6691-6 (2007) Pfizer Global Research & Development 2D 3D TSV
17976864 11 Investigations concerning the COX/5-LOX inhibiting and hydroxyl radical scavenging potencies of novel 4,5-diaryl isoselenazoles.EBI Eur J Med Chem 43: 1152-9 (2008) Johannes Gutenberg University 2D 3D TSV
17975902 8 Synthesis and biological evaluation of alpha-halogenated bisphosphonate and phosphonocarboxylate analogues of risedronate.EBI J Med Chem 50: 5967-75 (2007) University of Southern California 2D 3D TSV
17973471 24 Multiple N-methylation by a designed approach enhances receptor selectivity.EBI J Med Chem 50: 5878-81 (2007) Technische Universität München 2D 3D TSV
17973363 13 Discovery of a tetrazole-based growth hormone secretagogue: 4-(hydroxybutyl)carbamic acid 2-{5-[1-(2-amino-2-methylpropionylamino)-2- benzyloxyethyl]tetrazol-1-yl}ethyl ester (BMS-317180).BDB J Med Chem 50: 5890-3 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17967916 4 Interactions of methylene blue with human disulfide reductases and their orthologues from Plasmodium falciparum.EBI Antimicrob Agents Chemother 52: 183-91 (2007) Biochemie-Zentrum der Universit£t Heidelberg 2D 3D TSV
17967543 12 Synthesis and heparanase inhibitory activity of sulfated mannooligosaccharides related to the antiangiogenic agent PI-88.EBI Bioorg Med Chem 16: 699-709 (2008) Progen Pharmaceuticals Limited 2D 3D TSV
17967541 5 Pharmacomodulation on the 3-acetylursolic acid skeleton: Design, synthesis, and biological evaluation of novel N-{3-[4-(3-aminopropyl)piperazinyl]propyl}-3-O-acetylursolamide derivatives as antimalarial agents.EBI Bioorg Med Chem 16: 771-82 (2008) Universidade Federal do Rio Grande do Sul (UFRGS) 2D 3D TSV
17967540 3 Stereoselective synthesis of a novel 2-aza-7-oxabicyclo[3.3.0]octane as neurokinin-1 receptor antagonist.EBI Bioorg Med Chem Lett 17: 6887-90 (2007) Pfizer Global Research & Development 2D 3D TSV
17967536 34 Structure-activity relationships of adenosines with heterocyclic N6-substituents.EBI Bioorg Med Chem Lett 17: 6779-84 (2007) Monash University (Parkville Campus) 2D 3D TSV
17967002 29 5'-O-[(N-acyl)sulfamoyl]adenosines as antitubercular agents that inhibit MbtA: an adenylation enzyme required for siderophore biosynthesis of the mycobactins.EBI J Med Chem 50: 6080-94 (2007) University of Minnesota 2D 3D TSV
17967001 11 Synthesis of bicyclic sigma receptor ligands with cytotoxic activity.EBI J Med Chem 50: 6144-53 (2007) University M£nster 2D 3D TSV
17964793 20 Profiling Protein Arginine Deiminase 4 (PAD4): a novel screen to identify PAD4 inhibitors.EBI Bioorg Med Chem 16: 739-45 (2008) University of South Carolina 2D 3D TSV
17964792 31 Structure-activity studies on 1,3-dioxane-2-carboxylic acid derivatives, a novel class of subtype-selective peroxisome proliferator-activated receptor alpha (PPARalpha) agonists.EBI Bioorg Med Chem 16: 981-94 (2008) Nippon Shinyaku Co., Ltd 2D 3D TSV
17964784 1 Spermatinamine, the first natural product inhibitor of isoprenylcysteine carboxyl methyltransferase, a new cancer target.EBI Bioorg Med Chem Lett 17: 6860-3 (2007) Griffith University 2D 3D TSV
17964783 39 Synthesis and characterization of 8-ethynyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one derivatives: new potent non-competitive metabotropic glutamate receptor 2/3 antagonists. Part 1.EBI Bioorg Med Chem Lett 17: 6811-5 (2007) F. Hoffmann-La Roche Ltd 2D 3D TSV
17964780 2 Synthesis and in vivo activity of MK2 and MK2 substrate-selective p38alpha(MAPK) inhibitors in Werner syndrome cells.EBI Bioorg Med Chem Lett 17: 6832-5 (2007) Cardiff University 2D 3D TSV
17964172 10 Novel cholesterol biosynthesis inhibitors targeting human lanosterol 14alpha-demethylase (CYP51).EBI Bioorg Med Chem 16: 209-21 (2008) Lek Pharmaceuticals d. d. 2D 3D TSV
17964171 3 Stereocontrolled synthesis and biological activity of two diastereoisomers of the potent HIV-1 protease inhibitor saquinavir.EBI Bioorg Med Chem 16: 902-8 (2008) Universit£ La Sapienza 2D 3D TSV
17964169 24 Synthesis, nicotinic acetylcholine receptor binding, and pharmacological properties of 3'-(substituted phenyl)deschloroepibatidine analogs.BDB Bioorg Med Chem 16: 746-54 (2008) Research Triangle Institute 2D 3D TSV
17964155 2 Discovery of small-molecule inhibitors of tyrosinase.EBI Bioorg Med Chem Lett 17: 6871-5 (2007) University of Texas Southwestern Medical Center 2D 3D TSV
17964154 27 Development of CXCR3 antagonists. Part 2: Identification of 2-amino(4-piperidinyl)azoles as potent CXCR3 antagonists.EBI Bioorg Med Chem Lett 17: 6806-10 (2007) UCB Inflammation Discovery 2D 3D TSV
17964151 107 Synthesis and characterization of trans-4-(4-chlorophenyl)pyrrolidine-3-carboxamides of piperazinecyclohexanes as ligands for the melanocortin-4 receptor.EBI Bioorg Med Chem Lett 17: 6825-31 (2007) Neurocrine Biosciences Inc. 2D 3D TSV
17964000 16 Structure activity relationships of quinoline-containing c-Met inhibitors.EBI Eur J Med Chem 43: 1321-9 (2008) Pfizer Global Research and Development 2D 3D TSV
17963374 11 Activity of sulfonium bisphosphonates on tumor cell lines.EBI J Med Chem 50: 6067-79 (2007) University of Illinois at Urbana-Champaign 2D 3D TSV
17963373 36 Discovery of potent and selective adamantane-based small-molecule P2X(7) receptor antagonists/interleukin-1beta inhibitors.EBI J Med Chem 50: 5882-5 (2007) AstraZeneca R&D Charnwood 2D 3D TSV
17963370 26 Discovery of 5-Substituted-6-chlorouracils as Efficient Inhibitors of Human Thymidine Phosphorylase.BDB J Med Chem 50: 6016-23 (2007) Gilead Sciences Inc. 2D 3D TSV
17962189 17 Novel conantokins from Conus parius venom are specific antagonists of N-methyl-D-aspartate receptors.EBI J Biol Chem 282: 36905-13 (2007) University of Utah 2D 3D TSV
17962026 3 The influence of esters and carboxylic acids as the N-substituent of opioids. Part 1: Benzomorphans.EBI Bioorg Med Chem 16: 869-73 (2008) University of Maryland 2D 3D TSV
17962025 24 Discovery of long-acting N-(cyanomethyl)-N-alkyl-L-prolinamide inhibitors of dipeptidyl peptidase IV.EBI Bioorg Med Chem 16: 190-208 (2008) Minase Research Institute 2D 3D TSV
17961830 38 Allosteric inhibition of the protein-protein interaction between the leukemia-associated proteins Runx1 and CBFbeta.BDB Chem Biol 14: 1186-97 (2007) University of Virginia at Charlottesville 2D 3D TSV
17960924 5 Design, synthesis, and biological evaluation of a 1alpha,25-dihydroxy-19-norvitamin D3 analogue with a frozen A-ring conformation.EBI J Med Chem 50: 6154-64 (2007) University of Wisconsin-Madison 2D 3D TSV
17960923 2 In vivo anti-Chagas vinylthio-, vinylsulfinyl-, and vinylsulfonylbenzofuroxan derivatives.EBI J Med Chem 50: 6004-15 (2007) Universidad de la República 2D 3D TSV
17958345 75 Irreversible inhibition of dipeptidyl peptidase 8 by dipeptide-derived diaryl phosphonates.EBI J Med Chem 50: 5568-70 (2007) University of Antwerp 2D 3D TSV
17958344 2 Discovery of small molecule CXCR4 antagonists.EBI J Med Chem 50: 5655-64 (2007) Emory University 2D 3D TSV
17958343 28 Probing Binding Requirements of Type I and Type II Isoforms of Inosine Monophosphate Dehydrogenase with Adenine-Modified Nicotinamide Adenine Dinucleotide Analogues.BDB J Med Chem 50: 5743-5751 (2007) University of Minnesota at Twin Citiies 2D 3D TSV
17958342 12 The First Biologically Active Synthetic Analogues of FK228, the Depsipeptide Histone Deacetylase Inhibitor.BDB J Med Chem 50: 5720-5726 (2007) University of Southampton 2D 3D TSV
17956988 14 Unraveling the hidden catalytic activity of vertebrate class IIa histone deacetylases.EBI Proc Natl Acad Sci USA 104: 17335-40 (2007) Istituto di Ricerche di Biologia Molecolare 2D 3D TSV
17956082 86 Novel fluorinated derivatives of the broad-spectrum MMP inhibitors N-hydroxy-2(R)-[[(4-methoxyphenyl)sulfonyl](benzyl)- and (3-picolyl)-amino]-3-methyl-butanamide as potential tools for the molecular imaging of activated MMPs with PET.EBI J Med Chem 50: 5752-64 (2007) University Hospital of the Westf£lische Wilhelms-Universit£t M£nster 2D 3D TSV
17956081 24 Optimizing cell permeation of an antibiotic resistance inhibitor for improved efficacy.EBI J Med Chem 50: 5644-54 (2007) Università degli Studi di Modena e Reggio Emilia 2D 3D TSV
17956080 4 Synthesis and biological evaluation of a fluorine-18 derivative of dasatinib.EBI J Med Chem 50: 5853-7 (2007) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
17954919 21 Reevaluation of telomerase inhibition by quadruplex ligands and their mechanisms of action.EBI Proc Natl Acad Sci USA 104: 17347-52 (2007) Institut National de la Sant£ et de la Recherche M£dicale 2D 3D TSV
17951578 11 Acetyl-lysine analog peptides as mechanistic probes of protein deacetylases.EBI J Biol Chem 282: 37256-65 (2007) University of Wisconsin-Madison 2D 3D TSV
17951061 20 Synthesis and structure-activity relationships of N-{1-[(6-fluoro-2-naphthyl)methyl]piperidin-4-yl}benzamide derivatives as novel CCR3 antagonists.EBI Bioorg Med Chem 16: 144-56 (2008) Astellas Pharma Inc. 2D 3D TSV
17951059 19 Synthesis and structure-activity relationships of second-generation hydroxamate botulinum neurotoxin A protease inhibitors.BDB Bioorg Med Chem Lett 17: 6463-6 (2007) The Scripps Research Institute 2D 3D TSV
17950494 2 Structure of a novel thrombin inhibitor with an uncharged D-amino acid as P1 residue.EBI Eur J Med Chem 43: 1330-5 (2008) Institut für Biochemie 2D 3D TSV
17949976 4 Design, synthesis, and antimalarial activity of structural chimeras of thiosemicarbazone and ferroquine analogues.EBI Bioorg Med Chem Lett 17: 6434-8 (2007) Université des Sciences et Technologies 2D 3D TSV
17949055 2 Vanillic acid derivatives from the green algae Cladophora socialis as potent protein tyrosine phosphatase 1B inhibitors.EBI J Nat Prod 70: 1790-2 (2007) Griffith University 2D 3D TSV
17949010 16 Novel mechanistic class of fatty acid amide hydrolase inhibitors with remarkable selectivity.BDB Biochemistry 46: 13019-30 (2007) Pfizer 2D 3D TSV
17948983 17 Inhibition of monometalated methionine aminopeptidase: inhibitor discovery and crystallographic analysis.EBI J Med Chem 50: 5735-42 (2007) University of Kansas 2D 3D TSV
17948981 10 Highly Potent, Water Soluble Benzimidazole Antagonist for Activated alpha(4)beta(1) Integrin.BDB J Med Chem 50: 5863-5867 (2007) University of California at Davis 2D 3D TSV
17948978 29 Discovery of N1-(6-chloroimidazo[2,1-b][1,3]thiazole-5-sulfonyl)tryptamine as a potent, selective, and orally active 5-HT(6) receptor agonist.BDB J Med Chem 50: 5535-8 (2007) Wyeth Research 2D 3D TSV
17948976 28 Design of mechanism-based inhibitors of transthyretin amyloidosis: studies with biphenyl ethers and new structural templates.EBI J Med Chem 50: 5589-99 (2007) Institute of Sciences 2D 3D TSV
17948975 12 Synthesis, Crystal Structure, and Activity of Pyrazole-Based Inhibitors of p38 Kinase.BDB J Med Chem 50: 5712-9 (2007) Pfizer 2D 3D TSV
17948018 17 Mechanisms, biology and inhibitors of deubiquitinating enzymes.EBI Nat Chem Biol 3: 697-705 (2007) Institute for Biomedical Research 2D 3D TSV
17944454 34 First gallamine-tacrine hybrid: design and characterization at cholinesterases and the M2 muscarinic receptor.EBI J Med Chem 50: 5685-95 (2007) University of Bonn 2D 3D TSV
17942308 62 Next-generation spirobenzazepines: identification of RWJ-676070 as a balanced vasopressin V1a/V2 receptor antagonist for human clinical studies.EBI Bioorg Med Chem Lett 17: 6623-8 (2007) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
17942307 34 New 1,8-naphthyridine and quinoline derivatives as CB2 selective agonists.EBI Bioorg Med Chem Lett 17: 6505-10 (2007) Universit£ di Pisa 2D 3D TSV
17942306 5 Synthesis and anti-inflammatory/antioxidant activities of some new ring substituted 3-phenyl-1-(1,4-di-N-oxide quinoxalin-2-yl)-2-propen-1-one derivatives and of their 4,5-dihydro-(1H)-pyrazole analogues.EBI Bioorg Med Chem Lett 17: 6439-43 (2007) Universidad de Navarra 2D 3D TSV
17941625 50 Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity.BDB J Med Chem 50: 5543-6 (2007) MethylGene Inc 2D 3D TSV
17941624 15 Discovery of Dibenzo[c,f][2,7]naphthyridines as Potent and Selective 3-Phosphoinositide-Dependent Kinase-1 Inhibitors.BDB J Med Chem 50: 5547-9 (2007) Wyeth Research 2D 3D TSV
17941623 72 Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1.BDB J Med Chem 50: 5727-34 (2007) St. Jude Research Hospital 2D 3D TSV
17937989 6 Synthesis and biological evaluation of 2-trifluoromethyl/sulfonamido-5,6-diaryl substituted imidazo[2,1-b]-1,3,4-thiadiazoles: a novel class of cyclooxygenase-2 inhibitors.EBI Bioorg Med Chem 16: 276-83 (2008) The University of the West Indies 2D 3D TSV
17937988 26 Design, synthesis, and preliminary evaluation of 4-(6-(3-nitroguanidino)hexanamido)pyrrolidine derivatives as potential iNOS inhibitors.EBI Bioorg Med Chem 16: 578-85 (2008) Shandong University 2D 3D TSV
17937987 83 Synthesis and structure-activity relationships of thieno[2,3-b]pyrroles as antagonists of the GnRH receptor.EBI Bioorg Med Chem Lett 17: 6448-54 (2007) Centre de Recherches 2D 3D TSV
17937986 39 Potent non-nitrile dipeptidic dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 17: 6476-80 (2007) Bristol-Myers Squibb Research and Development 2D 3D TSV
17937985 54 Trisubstituted pyrimidines as transient receptor potential vanilloid 1 (TRPV1) antagonists with improved solubility.EBI Bioorg Med Chem Lett 17: 6539-45 (2007) Amgen Inc. 2D 3D TSV
17937984 46 2-Aryl benzimidazoles featuring alkyl-linked pendant alcohols and amines as inhibitors of checkpoint kinase Chk2.EBI Bioorg Med Chem Lett 17: 6467-71 (2007) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
17936633 16 Small P-gp modulating molecules: SAR studies on tetrahydroisoquinoline derivatives.EBI Bioorg Med Chem 16: 362-73 (2008) Universit£ degli Studi di Bari 2D 3D TSV
17936631 25 Chromen-based TNF-alpha converting enzyme (TACE) inhibitors: design, synthesis, and biological evaluation.EBI Bioorg Med Chem 16: 530-5 (2008) Yonsei University 2D 3D TSV
17936624 30 Synthesis and SAR comparison of regioisomeric aryl naphthyridines as potent mGlu5 receptor antagonists.EBI Bioorg Med Chem Lett 17: 6525-8 (2007) Pfizer Global Research & Development 2D 3D TSV
17935989 146 Macrocyclic ureas as potent and selective Chk1 inhibitors: an improved synthesis, kinome profiling, structure-activity relationships, and preliminary pharmacokinetics.EBI Bioorg Med Chem Lett 17: 6593-601 (2007) Abbott Laboratories 2D 3D TSV
17935988 82 Redefining the structure-activity relationships of 2,6-methano-3-benzazocines. 5. Opioid receptor binding properties of N-((4'-phenyl)-phenethyl) analogues of 8-CAC.EBI Bioorg Med Chem Lett 17: 6516-20 (2007) Institute 2D 3D TSV
17935986 1 A phosphorylated prodrug for the inhibition of Pin1.EBI Bioorg Med Chem Lett 17: 6615-8 (2007) Virginia Tech 2D 3D TSV
17935984 29 Potent, selective spiropyrrolidine pyrimidinetrione inhibitors of MMP-13.EBI Bioorg Med Chem Lett 17: 6529-34 (2007) Pfizer Global Research & Development 2D 3D TSV
17935298 3 Planktocyclin, a cyclooctapeptide protease inhibitor produced by the freshwater cyanobacterium Planktothrix rubescens.EBI J Nat Prod 70: 1611-5 (2007) University of Zürich 2D 3D TSV
17933541 145 5'-Carbamoyl derivatives of 2'-C-methyl-purine nucleosides as selective A1 adenosine receptor agonists: affinity, efficacy, and selectivity for A1 receptor from different species.EBI Bioorg Med Chem 16: 336-53 (2008) Universit£ di Camerino 2D 3D TSV
17933533 36 Hit generation and exploration: imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases.EBI Bioorg Med Chem Lett 17: 6567-71 (2007) Institute of Cancer Research 2D 3D TSV
17933531 24 Phenylpiperidine-benzoxazinones as urotensin-II receptor antagonists: synthesis, SAR, and in vivo assessment.EBI Bioorg Med Chem Lett 17: 6489-92 (2007) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
17933530 1 SAR studies of 1,5-diarylpyrazole-based CCK1 receptor antagonists.EBI Bioorg Med Chem Lett 17: 6493-8 (2007) Johnson& Johnson Pharmaceutical Research and Development L.L.C. 2D 3D TSV
17933529 35 Design, structure-activity relationship, and pharmacokinetic profile of pyrazole-based indoline factor Xa inhibitors.EBI Bioorg Med Chem Lett 17: 6481-8 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17933528 68 Synthesis and characterization of pyrrolidine derivatives as potent agonists of the human melanocortin-4 receptor.EBI Bioorg Med Chem Lett 17: 6546-52 (2007) Neurocrine Biosciences, Inc. 2D 3D TSV
17931867 42 Synthesis and in-vitro biological activity of macrocyclic urea Chk1 inhibitors.EBI Bioorg Med Chem Lett 17: 6499-504 (2007) Abbott Laboratories 2D 3D TSV
17931866 47 Synthesis and evaluation of novel pyrazolidinone analogs of PGE2 as EP2 and EP4 receptors agonists.EBI Bioorg Med Chem Lett 17: 6572-5 (2007) EMD-Serono Research Institute 2D 3D TSV
17931864 18 2-Aryl-3,3,3-trifluoro-2-hydroxypropionic acids: a new class of protein tyrosine phosphatase 1B inhibitors.EBI Bioorg Med Chem Lett 17: 6579-83 (2007) Heriot-Watt University 2D 3D TSV
17931863 2 3-Nitro-4-amino benzoic acids and 6-amino nicotinic acids are highly selective agonists of GPR109b.EBI Bioorg Med Chem Lett 17: 6619-22 (2007) Arena Pharmaceuticals 2D 3D TSV
17929798 57 Design, synthesis, structure-selectivity relationship, and effect on human cancer cells of a novel series of histone deacetylase 6-selective inhibitors.BDB J Med Chem 50: 5425-38 (2007) Nagoya City University 2D 3D TSV
17929797 34 Synthesis, structure-activity relationship and in vivo antiinflammatory efficacy of substituted dipiperidines as CCR2 antagonists.EBI J Med Chem 50: 5561-3 (2007) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
17929796 55 Synthesis and structure-activity relationship studies of 3,6-diazabicyclo[3.2.0]heptanes as novel alpha4beta2 nicotinic acetylcholine receptor selective agonists.EBI J Med Chem 50: 5493-508 (2007) Neuroscience Research 2D 3D TSV
17929795 79 Potent, orally bioavailable calcitonin gene-related peptide receptor antagonists for the treatment of migraine: discovery of N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1- (2,2,2-trifluoroethyl)azepan-3-yl]-4- (2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin- 1-yl)piperidine-1-carboxamide (MK-0974).EBI J Med Chem 50: 5564-7 (2007) Merck Research Laboratories 2D 3D TSV
17929793 53 Discovery of orally efficacious tetracyclic metabotropic glutamate receptor 1 (mGluR1) antagonists for the treatment of chronic pain.EBI J Med Chem 50: 5550-3 (2007) Schering-Plough Research Institute 2D 3D TSV
17929792 26 Identification of a novel pyrazolo[3,4-d]pyrimidine able to inhibit cell proliferation of a human osteogenic sarcoma in vitro and in a xenograft model in mice.EBI J Med Chem 50: 5579-88 (2007) Università degli Studi di Siena 2D 3D TSV
17927167 107 5-amino-2-phenyl[1,2,3]triazolo[1,2-a][1,2,4]benzotriazin-1-one: a versatile scaffold to obtain potent and selective A3 adenosine receptor antagonists.EBI J Med Chem 50: 5676-84 (2007) Universit£ di Pisa 2D 3D TSV
17927165 58 Toward Potent Ghrelin Receptor Ligands Based on Trisubstituted 1,2,4-Triazole Structure. 2. Synthesis and Pharmacological in Vitro and in Vivo Evaluations.BDB J Med Chem 50: 5790-5806 (2007) CNRS 2D 3D TSV
17927164 24 Development of novel enkephalin analogues that have enhanced opioid activities at both mu and delta opioid receptors.BDB J Med Chem 50: 5528-32 (2007) University of Arizona at Tucson 2D 3D TSV
17925440 2 A small-molecule therapeutic lead for Huntington's disease: preclinical pharmacology and efficacy of C2-8 in the R6/2 transgenic mouse.EBI Proc Natl Acad Sci U S A 104: 16685-9 (2007) Harvard Medical School 2D 3D TSV
17924616 6 Low-calcemic, highly antiproliferative, 23-oxa ether analogs of the natural hormone 1 alpha,25-dihydroxyvitamin D3: design, synthesis, and preliminary biological evaluation.EBI J Med Chem 50: 5824-32 (2007) The Johns Hopkins University 2D 3D TSV
17924613 9 De novo discovery of serotonin N-acetyltransferase inhibitors.EBI J Med Chem 50: 5330-8 (2007) Johns Hopkins School of Medicine 2D 3D TSV
17923491 5 Drugs designed to inhibit human p38 mitogen-activated protein kinase activation treat Toxoplasma gondii and Encephalitozoon cuniculi infection.EBI Antimicrob Agents Chemother 51: 4324-8 (2007) Tulane University School of Medicine 2D 3D TSV
17922005 27 ATP-competitive inhibitors of the mitotic kinesin KSP that function via an allosteric mechanism.BDB Nat Chem Biol 3: 722-6 (2007) GlaxoSmithKline 2D 3D TSV
17921140 1 Profiling the enzymatic properties and inhibition of human complement factor B.EBI J Biol Chem 282: 34809-16 (2007) University of Queensland 2D 3D TSV
17920884 18 New 'chemical probes' to examine the role of the hFPRL1 (or ALXR) receptor in inflammation.BDB Bioorg Med Chem Lett 17: 6633-7 (2007) Amgen 2D 3D TSV
17920281 16 The use of ligand-based de novo design for scaffold hopping and sidechain optimization: two case studies.EBI Bioorg Med Chem 16: 422-7 (2008) Neurocrine Biosciences 2D 3D TSV
17919913 55 Synthesis and pharmacology of 1-deoxy analogs of CP-47,497 and CP-55,940.EBI Bioorg Med Chem 16: 322-35 (2008) Clemson University 2D 3D TSV
17919905 56 The discovery of 2-anilinothiazolones as 11beta-HSD1 inhibitors.EBI Bioorg Med Chem Lett 17: 6056-61 (2007) Amgen Inc. 2D 3D TSV
17919904 5 Synthesis of aromatic compounds containing a 1,1-dialkyl-2-trifluoromethyl group, a bioisostere of the tert-alkyl moiety.EBI Bioorg Med Chem Lett 17: 6079-85 (2007) Pfizer Global Research & Development 2D 3D TSV
17918921 35 Synthesis, potency, and in vivo profiles of quinoline containing histamine H3 receptor inverse agonists.EBI J Med Chem 50: 5439-48 (2007) Abbott Laboratories 2D 3D TSV
17918824 39 Discovery of 1-[2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl]-4-[(2R)-methyl-3-(4-chlorophenyl)-propionyl]piperazine as an orally active antagonist of the melanocortin-4 receptor for the potential treatment of cachexia.EBI J Med Chem 50: 5249-52 (2007) Neurocrine Biosciences, Inc. 2D 3D TSV
17918822 92 Inhibitors of the Interaction of a Thyroid Hormone Receptor and Coactivators: Preliminary Structure-Activity Relationships.BDB J Med Chem 50: 5269-5280 (2007) St. Jude Research Hospital 2D 3D TSV
17918821 2 Interactions of hepatitis B core antigen and peptide inhibitors.EBI J Med Chem 50: 5620-6 (2007) Universiti Putra Malaysia 2D 3D TSV
17918820 6 Target specific virtual screening: optimization of an estrogen receptor screening platform.EBI J Med Chem 50: 5301-10 (2007) Trinity College 2D 3D TSV
17918819 114 Synthesis and structure-activity relationship for a novel class of potent and selective carbamate-based inhibitors of hormone selective lipase with acute in vivo antilipolytic effects.EBI J Med Chem 50: 5449-56 (2007) Novo Nordisk A/S 2D 3D TSV
17915854 38 Cyclooxygenase-2 inhibitors. 1,5-diarylpyrrol-3-acetic esters with enhanced inhibitory activity toward cyclooxygenase-2 and improved cyclooxygenase-2/cyclooxygenase-1 selectivity.EBI J Med Chem 50: 5403-11 (2007) Università La Sapienza 2D 3D TSV
17915853 14 CYP2C9 structure-metabolism relationships: substrates, inhibitors, and metabolites.EBI J Med Chem 50: 5382-91 (2007) AstraZeneca R&D Mölndal 2D 3D TSV
17915852 6 Structures of Human Monoamine Oxidase B Complexes with Selective Noncovalent Inhibitors: Safinamide and Coumarin Analogs.BDB J Med Chem 50: 5848-5852 (2007) University of Pavia 2D 3D TSV
17915849 53 Pharmacomodulations around the 4-oxo-1,4-dihydroquinoline-3-carboxamides, a class of potent CB2-selective cannabinoid receptor ligands: consequences in receptor affinity and functionality.EBI J Med Chem 50: 5471-84 (2007) Université de Lille 2 2D 3D TSV
17915848 48 Small molecule inhibitors of integrin alpha2beta1.BDB J Med Chem 50: 5457-62 (2007) University of Pennsylvania 2D 3D TSV
17914785 67 Discovery of 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-c]pyridine-3-carboxamide (Apixaban, BMS-562247), a Highly Potent, Selective, Efficacious, and Orally Bioavailable Inhibitor of Blood Coagulation Factor Xa.BDB J Med Chem 50: 5339-56 (2007) Bristol-Myers Squibb Company 2D 3D TSV
17911242 1 A surface on the androgen receptor that allosterically regulates coactivator binding.EBI Proc Natl Acad Sci USA 104: 16074-9 (2007) University of California 2D 3D TSV
17911024 37 Potent oxindole based human beta3 adrenergic receptor agonists.EBI Bioorg Med Chem Lett 17: 6270-3 (2007) Lilly Research Laboratories 2D 3D TSV
17911023 26 3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors.EBI Bioorg Med Chem Lett 17: 6378-82 (2007) Scripps Florida 2D 3D TSV
17911022 108 Discovery of novel 8-azoniabicyclo[3.2.1]octane carbamates as muscarinic acetylcholine receptor antagonists.EBI Bioorg Med Chem Lett 17: 6066-9 (2007) GlaxoSmithkline 2D 3D TSV
17911019 50 Novel scaffold for cathepsin K inhibitors.EBI Bioorg Med Chem Lett 17: 6096-100 (2007) Novartis Institutes for BioMedical Research 2D 3D TSV
17910915 19 Biphenyls as potent vitronectin receptor antagonists. Part 3: Squaric acid amides.EBI Bioorg Med Chem Lett 17: 6151-4 (2007) Bayer Healthcare AG 2D 3D TSV
17910428 48 Synthesis and monoamine oxidase inhibitory activity of new pyridazine-, pyrimidine- and 1,2,4-triazine-containing tricyclic derivatives.BDB J Med Chem 50: 5364-71 (2007) University of Bari 2D 3D TSV
17910427 35 Rational design of 5'-thiourea-substituted alpha-thymidine analogues as thymidine monophosphate kinase inhibitors capable of inhibiting mycobacterial growth.EBI J Med Chem 50: 5281-92 (2007) University of Gent 2D 3D TSV
17905588 19 Mono- and dialkyl isoprenoid bisphosphonates as geranylgeranyl diphosphate synthase inhibitors.EBI Bioorg Med Chem 16: 390-9 (2008) University of Iowa 2D 3D TSV
17905583 2 Geometry of GPPE binding to picrate and to the urokinase type plasminogen activator.EBI Bioorg Med Chem Lett 17: 6212-5 (2007) Pedagogical University 2D 3D TSV
17904850 3 Cryptadines A and B, novel C27N3-type pentacyclic alkaloids from Lycopodium cryptomerinum.EBI Bioorg Med Chem 15: 7803-8 (2007) Hoshi University 2D 3D TSV
17904845 70 Potent 2'-aminoanilide inhibitors of cFMS as potential anti-inflammatory agents.EBI Bioorg Med Chem Lett 17: 6070-4 (2007) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
17904842 4 Synthetic studies of neoclerodane diterpenes from Salvia divinorum: exploration of the 1-position.EBI Bioorg Med Chem Lett 17: 6111-5 (2007) Holden Laboratories 2D 3D TSV
17904841 28 Pyrazolo[1,5-a]pyrimidines as orally available inhibitors of cyclin-dependent kinase 2.EBI Bioorg Med Chem Lett 17: 6220-3 (2007) Schering-Plough Research Institute 2D 3D TSV
17904840 64 Aminocyclohexylsulfonamides: discovery of metabolically stable alpha(1a/1d)-selective adrenergic receptor antagonists for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS).EBI Bioorg Med Chem Lett 17: 6123-8 (2007) Johnson & Johnson Pharmaceutical Research and Development L.L.C. 2D 3D TSV
17904370 20 2-Methylene 19-nor-25-dehydro-1alpha-hydroxyvitamin D3 26,23-lactones: synthesis, biological activities and molecular basis of passive antagonism.EBI Bioorg Med Chem 16: 457-73 (2008) Tokyo Medical and Dental University 2D 3D TSV
17902637 2 Estrogen receptor dependent inhibitors of NF-kappaB transcriptional activation-1 synthesis and biological evaluation of substituted 2-cyanopropanoic acid derivatives: pathway selective inhibitors of NF-kappaB, a potential treatment for rheumatoid arthritis.EBI J Med Chem 50: 5245-8 (2007) Wyeth Research 2D 3D TSV
17902635 86 New potent acetylcholinesterase inhibitors in the tetracyclic triterpene series.BDB J Med Chem 50: 5311-23 (2007) CNRS 2D 3D TSV
17900912 15 1-Aminocyclopentane-1,2,4-tricarboxylic acids screening on glutamatergic and serotonergic systems.EBI Bioorg Med Chem 15: 7581-9 (2007) Università di Milano 2D 3D TSV
17900911 21 Interaction of aliphatic cap group in inhibition of histone deacetylases by cyclic tetrapeptides.EBI Bioorg Med Chem 16: 437-45 (2008) Graduate School of Life Science and Systems Engineering 2D 3D TSV
17900896 44 Synthesis and evaluation of substituted benzoisoquinolinones as potent inhibitors of Chk1 kinase.EBI Bioorg Med Chem Lett 17: 6280-5 (2007) Merck Research Laboratories 2D 3D TSV
17900101 3 Rational design, structure, and biological evaluation of cyclic peptides mimicking the vascular endothelial growth factor.EBI J Med Chem 50: 5135-46 (2007) Université Paris Descartes 2D 3D TSV
17897956 3 Lateral compartmentalization of T cell receptor versus CD45 by galectin-N-glycan binding and microfilaments coordinate basal and activation signaling.EBI J Biol Chem 282: 35361-72 (2007) University of California 2D 3D TSV
17897949 12 Three-dimensional structure of the EphB2 receptor in complex with an antagonistic peptide reveals a novel mode of inhibition.EBI J Biol Chem 282: 36505-13 (2007) The Scripps Research Institute 2D 3D TSV
17897826 18 The discovery of indole-derived long acting beta2-adrenoceptor agonists for the treatment of asthma and COPD.EBI Bioorg Med Chem Lett 17: 6188-91 (2007) Pfizer Global Research and Development 2D 3D TSV
17895252 1 Inhibition of human dimethylarginine dimethylaminohydrolase-1 by S-nitroso-L-homocysteine and hydrogen peroxide. Analysis, quantification, and implications for hyperhomocysteinemia.EBI J Biol Chem 282: 34684-92 (2007) University of Texas 2D 3D TSV
17894481 29 1,3-disubstituted ureas functionalized with ether groups are potent inhibitors of the soluble epoxide hydrolase with improved pharmacokinetic properties.EBI J Med Chem 50: 5217-26 (2007) Department of Entomology and University of California Davis Cancer Center 2D 3D TSV
17892940 54 Phenylimidazole derivatives as specific inhibitors of bacterial enoyl-acyl carrier protein reductase FabK.EBI Bioorg Med Chem 15: 7325-36 (2007) Meiji Seika Kaisha, Ltd 2D 3D TSV
17892935 56 Heteroaryl beta-tetralin ureas as novel antagonists of human TRPV1.EBI Bioorg Med Chem Lett 17: 6160-3 (2007) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
17892934 37 Discovery of 5-HT6 receptor ligands based on virtual HTS.EBI Bioorg Med Chem Lett 17: 6224-9 (2007) 4SC AG 2D 3D TSV
17892933 10 Omega-alkoxy analogues of SAHA (vorinostat) as inhibitors of HDAC: a study of chain-length and stereochemical dependence.EBI Bioorg Med Chem Lett 17: 6261-5 (2007) Université de Montréal 2D 3D TSV
17890094 35 New functional assay of P-glycoprotein activity using Hoechst 33342.EBI Bioorg Med Chem 15: 7470-9 (2007) University of Bonn 2D 3D TSV
17890085 22 Discovery of 2,4,6-trisubstituted N-arylsulfonyl piperidines as gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 17: 6290-4 (2007) Schering-Plough Research Institute 2D 3D TSV
17890084 86 Androstene-3,5-dienes as ER-beta selective SERMs.EBI Bioorg Med Chem Lett 17: 6295-8 (2007) Merck Research Laboratories 2D 3D TSV
17889543 90 Novel oxotremorine-related heterocyclic derivatives: Synthesis and in vitro pharmacology at the muscarinic receptor subtypes.EBI Bioorg Med Chem 15: 7626-37 (2007) Universit£ degli Studi di Milano 2D 3D TSV
17889535 5 Facile one-pot synthesis of thio and selenourea derivatives: a new class of potent urease inhibitors.EBI Bioorg Med Chem Lett 17: 6387-91 (2007) Institute of Science 2D 3D TSV
17889534 24 Benzazepinone Nav1.7 blockers: potential treatments for neuropathic pain.EBI Bioorg Med Chem Lett 17: 6172-7 (2007) Merck Research Laboratories 2D 3D TSV
17889532 23 Dipeptidyl aspartyl fluoromethylketones as potent caspase inhibitors: peptidomimetic replacement of the P(2) amino acid by 2-aminoaryl acids and other non-natural amino acids.EBI Bioorg Med Chem Lett 17: 6178-82 (2007) EpiCept Corporation 2D 3D TSV
17889528 18 Synthesis and biological evaluation of substituted 6-alkynyl-4-anilinoquinazoline derivatives as potent EGFR inhibitors.EBI Bioorg Med Chem Lett 17: 6373-7 (2007) Development Center for Biotechnology 2D 3D TSV
17889527 18 2-(2-Chloro-6-fluorophenyl)acetamides as potent thrombin inhibitors.EBI Bioorg Med Chem Lett 17: 6266-9 (2007) Johnson & Johnson 2D 3D TSV
17889526 2 Unique spirocyclopiperazinium salt III: further investigation of monospirocyclopiperazinium (MSPZ) salts as potential analgesics.EBI Bioorg Med Chem Lett 17: 6245-9 (2007) Peking University 2D 3D TSV
17888667 33 Synthesis and screening for acetylcholinesterase inhibitor activity of some novel 2-butyl-1,3-diaza-spiro[4,4]non-1-en-4-ones: derivatives of irbesartan key intermediate.EBI Bioorg Med Chem 15: 7391-8 (2007) University of Mysore 2D 3D TSV
17888659 62 Heteroatom-linked indanylpyrazines are corticotropin releasing factor type-1 receptor antagonists.EBI Bioorg Med Chem Lett 17: 6250-6 (2007) Pfizer Global Research and Development 2D 3D TSV
17887741 133 Cinnamoyl derivatives of 7alpha-aminomethyl-6,14-endo-ethanotetrahydrothebaine and 7alpha-aminomethyl-6,14-endo-ethanotetrahydrooripavine and related opioid ligands.EBI J Med Chem 50: 5176-82 (2007) University of Bath 2D 3D TSV
17887720 4 Macrolactins O-R, glycosylated 24-membered lactones from Bacillus sp. AH159-1.EBI J Nat Prod 70: 1632-5 (2007) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
17887663 34 Structure-based design and synthesis of (5-arylamino-2H-pyrazol-3-yl)-biphenyl-2',4'-diols as novel and potent human CHK1 inhibitors.EBI J Med Chem 50: 5253-6 (2007) Pfizer Global Research and Development 2D 3D TSV
17887661 12 Substituted 6-(1-Pyrrolidine)quinolin-2(1H)-ones as Novel Selective Androgen Receptor Modulators.BDB J Med Chem 50: 5049-52 (2007) Ligand Pharmaceuticals Inc. 2D 3D TSV
17887659 58 Quinazolinone derivatives as orally available ghrelin receptor antagonists for the treatment of diabetes and obesity.EBI J Med Chem 50: 5202-16 (2007) Bayer Pharmaceuticals Corporation 2D 3D TSV
17884497 14 The discovery of substituted 4-(3-hydroxyanilino)-quinolines as potent RET kinase inhibitors.BDB Bioorg Med Chem Lett 17: 5886-93 (2007) GlaxoSmithKline 2D 3D TSV
17884496 51 N-Alkylidenearylcarboxamides as new potent and selective CB(2) cannabinoid receptor agonists with good oral bioavailability.EBI Bioorg Med Chem Lett 17: 6299-304 (2007) Taisho Pharmaceutical Co. Ltd 2D 3D TSV
17884495 46 Synthesis of (aryloxyacetylamino)-isonicotinic/nicotinic acid analogues as potent hypoxia-inducible factor (HIF)-1alpha inhibitors.EBI Bioorg Med Chem Lett 17: 6305-10 (2007) Molecular Cancer Research Center 2D 3D TSV
17884494 79 New 1,2,3,4-tetrahydropyrrolo[3,4-b]indole derivatives as selective CB2 receptor agonists.EBI Bioorg Med Chem Lett 17: 6183-7 (2007) AstraZeneca R&D Montreal 2D 3D TSV
17884492 1 Rynaxypyr: a new insecticidal anthranilic diamide that acts as a potent and selective ryanodine receptor activator.EBI Bioorg Med Chem Lett 17: 6274-9 (2007) DuPont Crop Protection 2D 3D TSV
17883259 17 Anti-Helicobacter pylori and thrombin inhibitory components from Chinese dragon's blood, Dracaena cochinchinensis.EBI J Nat Prod 70: 1570-7 (2007) Chinese Academy of Sciences 2D 3D TSV
17881236 22 Novel C2-purine position analogs of nitrobenzylmercaptopurine riboside as human equilibrative nucleoside transporter 1 inhibitors.EBI Bioorg Med Chem 15: 7726-37 (2007) University of Tennessee Health Sciences Center 2D 3D TSV
17881232 42 Molecular design of histone deacetylase inhibitors by aromatic ring shifting in chlamydocin framework.EBI Bioorg Med Chem 15: 7830-9 (2007) Graduate School of Life Science and Systems Engineering 2D 3D TSV
17880055 42 Preparation and optimization of a series of 3-carboxamido-5-phenacylaminopyrazole bradykinin B1 receptor antagonists.EBI J Med Chem 50: 5161-7 (2007) Elan Pharmaceuticals, Inc. 2D 3D TSV
17878314 8 Targeting thyroid hormone receptor-beta agonists to the liver reduces cholesterol and triglycerides and improves the therapeutic index.EBI Proc Natl Acad Sci U S A 104: 15490-5 (2007) Metabasis Therapeutics, Inc. 2D 3D TSV
17875998 5 Biochemical Characterization of SFC-1, a class A carbapenem-hydrolyzing beta-lactamase.EBI Antimicrob Agents Chemother 51: 4512-4 (2007) University of Aveiro 2D 3D TSV
17875993 24 In vitro efficacy of new antifolates against trimethoprim-resistant Bacillus anthracis.EBI Antimicrob Agents Chemother 51: 4447-52 (2007) Oklahoma State University 2D 3D TSV
17875639 12 Protein kinase C epsilon regulates gamma-aminobutyrate type A receptor sensitivity to ethanol and benzodiazepines through phosphorylation of gamma2 subunits.EBI J Biol Chem 282: 33052-63 (2007) University of California-San Francisco 2D 3D TSV
17870539 9 Discovery of 1,1-dioxo-1,2,6-thiadiazine-5-carboxamide derivatives as cannabinoid-like molecules with agonist and antagonist activity.EBI Bioorg Med Chem 15: 7480-93 (2007) Instituto de Química Médica 2D 3D TSV
17870536 28 Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors.EBI Bioorg Med Chem 15: 7865-77 (2007) Università di Modena e Reggio Emilia 2D 3D TSV
17870531 46 Synthesis of novel anilinoquinolines as c-fms inhibitors.EBI Bioorg Med Chem Lett 17: 6257-60 (2007) GlaxoSmithKline 2D 3D TSV
17870212 7 Xanthine oxidase-activated prodrugs of thymidine phosphorylase inhibitors.EBI Eur J Med Chem 43: 1248-60 (2008) The University of Manchester 2D 3D TSV
17870209 1 4-thiazolidinone--a biologically active scaffold.EBI Eur J Med Chem 43: 897-905 (2008) Northern India Engineering College 2D 3D TSV
17869524 11 The molecular pruning of a phosphoramidate peptidomimetic inhibitor of prostate-specific membrane antigen.EBI Bioorg Med Chem 15: 7434-43 (2007) San Francisco State University 2D 3D TSV
17869522 51 Synthesis, biological evaluation and molecular modelling of sulfonohydrazides as selective PI3K p110alpha inhibitors.EBI Bioorg Med Chem 15: 7677-87 (2007) University of Auckland 2D 3D TSV
17869515 30 Discovery of N-phenyl nicotinamides as potent inhibitors of Kdr.EBI Bioorg Med Chem Lett 17: 6003-8 (2007) Amgen 2D 3D TSV
17869514 20 Neutral 5-substituted 4-anilinoquinazolines as potent, orally active inhibitors of erbB2 receptor tyrosine kinase.EBI Bioorg Med Chem Lett 17: 6326-9 (2007) AstraZeneca 2D 3D TSV
17869513 112 Imidazopiperidine amides as dipeptidyl peptidase IV inhibitors for the treatment of diabetes.EBI Bioorg Med Chem Lett 17: 5853-7 (2007) Merck Research Laboratories 2D 3D TSV
17869510 24 Synthesis and inhibitory activity of 4-alkynyl and 4-alkenylquinazolines: identification of new scaffolds for potent EGFR tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 17: 5863-7 (2007) Mitsubishi Pharma Corporation 2D 3D TSV
17869387 158 Synthesis and structure-activity relationships of N-6 substituted analogues of 9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as inhibitors of Wee1 and Chk1 checkpoint kinases.EBI Eur J Med Chem 43: 1276-96 (2008) University of Auckland 2D 3D TSV
17869121 32 Synthesis and biological evaluation of non-peptide alpha(v)beta(3)/alpha(5)beta(1) integrin dual antagonists containing 5,6-dihydropyridin-2-one scaffolds.EBI Bioorg Med Chem 15: 7380-90 (2007) Università di Bologna 2D 3D TSV
17869117 153 Structure-activity relationship studies of flavonoids as potent inhibitors of human platelet 12-hLO, reticulocyte 15-hLO-1, and prostate epithelial 15-hLO-2.EBI Bioorg Med Chem 15: 7408-25 (2007) Universidad de Santiago de Chile 2D 3D TSV
17869105 42 Synthesis and biological evaluation of phenyl piperidine derivatives as CCR2 antagonists.EBI Bioorg Med Chem Lett 17: 5964-8 (2007) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
17869104 5 Discovery of potent T-type calcium channel blocker.EBI Bioorg Med Chem Lett 17: 5740-3 (2007) Kyung Hee University 2D 3D TSV
17869101 60 High dopamine transporter selectivity can be displayed by remarkably simple non-nitrogen containing inhibitors.EBI Bioorg Med Chem Lett 17: 6019-25 (2007) University of Aarhus 2D 3D TSV
17869100 76 Discovery, synthesis, and structure-activity studies of tetrazole based growth hormone secretagogues.EBI Bioorg Med Chem Lett 17: 5928-33 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17867665 41 1,2,4-triazol-3-yl-thiopropyl-tetrahydrobenzazepines: a series of potent and selective dopamine D(3) receptor antagonists.EBI J Med Chem 50: 5076-89 (2007) GlaxoSmithKline Medicine Research Centre 2D 3D TSV
17855357 1 Mechanism of action of A-769662, a valuable tool for activation of AMP-activated protein kinase.EBI J Biol Chem 282: 32549-60 (2007) Lund University 2D 3D TSV
17855341 4 Chemical genetics define the roles of p38alpha and p38beta in acute and chronic inflammation.EBI J Biol Chem 282: 34663-71 (2007) Merck Research Laboratories 2D 3D TSV
17855092 18 Synthesis and identification of novel 11beta-aryl-4',5'-dihydrospiro[estra-4,9-diene-17beta,4'-oxazole] analogs with dissociated antiprogesterone activities.EBI Bioorg Med Chem Lett 17: 5754-7 (2007) RTI International 2D 3D TSV
17855089 25 Amino(methyl) pyrrolidines as novel scaffolds for factor Xa inhibitors.EBI Bioorg Med Chem Lett 17: 5952-8 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17855087 19 Identification and synthesis of major metabolites of Vasopressin V2-receptor agonist WAY-151932, and antagonist, Lixivaptan.EBI Bioorg Med Chem Lett 17: 5796-800 (2007) Wyeth Research 2D 3D TSV
17854166 33 Heterotricyclic himbacine analogs as potent, orally active thrombin receptor (protease activated receptor-1) antagonists.EBI J Med Chem 50: 5147-60 (2007) Schering-Plough Research Institute 2D 3D TSV
17854153 2 Brunneins A-C, beta-carboline alkaloids from Cortinarius brunneus.EBI J Nat Prod 70: 1529-31 (2007) Institute of Plant Biochemistry 2D 3D TSV
17851082 23 Synthesis and HMG CoA reductase inhibition of 4-thiophenyl quinolines as potential hypocholesterolemic agents.EBI Bioorg Med Chem 15: 7809-29 (2007) Institute of Pharmaceutical Industry 2D 3D TSV
17851081 1 Myricetin inhibits Escherichia coli DnaB helicase but not primase.EBI Bioorg Med Chem 15: 7203-8 (2007) University of Nebraska-Lincoln 2D 3D TSV
17851080 6 A new opioid designed multiple ligand derived from the micro opioid agonist endomorphin-2 and the delta opioid antagonist pharmacophore Dmt-Tic.EBI Bioorg Med Chem 15: 6876-81 (2007) University of Ferrara 2D 3D TSV
17851076 77 4-arylcyclohexylalanine analogs as potent, selective, and orally active inhibitors of dipeptidyl peptidase IV.EBI Bioorg Med Chem Lett 17: 5806-11 (2007) Merck Research Laboratories 2D 3D TSV
17851075 4 Inactivation of soybean sterol 24-C-methyltransferase by elongated sterol side chains at C26.EBI Bioorg Med Chem Lett 17: 5902-6 (2007) Texas Tech University 2D 3D TSV
17851073 36 Structure-activity relationship (SAR) investigations of substituted imidazole analogs as TRPV1 antagonists.EBI Bioorg Med Chem Lett 17: 5825-30 (2007) Amgen Inc. 2D 3D TSV
17850214 99 The selectivity of protein kinase inhibitors: a further update.EBI Biochem J 408: 297-315 (2007) University of Dundee 2D 3D TSV
17850125 66 Novel class of quinone-bearing polyamines as multi-target-directed ligands to combat Alzheimer's disease.EBI J Med Chem 50: 4882-97 (2007) University of Bologna 2D 3D TSV
17850061 26 Discovery and characterization of novel, potent, non-peptide parathyroid hormone-1 receptor antagonists.EBI J Med Chem 50: 4789-92 (2007) James Black Foundation 2D 3D TSV
17850060 33 4-[omega-[4-arylpiperazin-1-yl]alkoxy]phenyl)imidazo[1,2-a]pyridine derivatives: fluorescent high-affinity dopamine D3 receptor ligands as potential probes for receptor visualization.EBI J Med Chem 50: 5043-7 (2007) Università degli Studi di Bari 2D 3D TSV
17850059 195 N-benzoylpyrazoles are novel small-molecule inhibitors of human neutrophil elastase.BDB J Med Chem 50: 4928-38 (2007) Montana State University 2D 3D TSV
17850058 19 Design, synthesis, and preliminary pharmacological evaluation of new quinoline derivatives as nicotinic ligands.EBI J Med Chem 50: 4993-5002 (2007) University of Florence 2D 3D TSV
17850057 72 Biological evaluation, structure-activity relationships, and three-dimensional quantitative structure-activity relationship studies of dihydro-beta-agarofuran sesquiterpenes as modulators of P-glycoprotein-dependent multidrug resistance.EBI J Med Chem 50: 4808-17 (2007) Instituto Universitario de Bio-OrgAnica Antonio GonzAlez 2D 3D TSV
17850055 18 Toward efficient drug screening by homogeneous assays based on the development of new fluorescent vasopressin and oxytocin receptor ligands.EBI J Med Chem 50: 4976-85 (2007) INSERM 2D 3D TSV
17848581 13 Pharmacologic inhibition of tpl2 blocks inflammatory responses in primary human monocytes, synoviocytes, and blood.EBI J Biol Chem 282: 33295-304 (2007) Wyeth Research 2D 3D TSV
17848577 5 Accumulation of glucosylceramide in murine testis, caused by inhibition of beta-glucosidase 2: implications for spermatogenesis.EBI J Biol Chem 282: 32655-64 (2007) University of Oxford 2D 3D TSV
17846138 26 Design, synthesis, and evaluation of 10-N-substituted acridones as novel chemosensitizers in Plasmodium falciparum.EBI Antimicrob Agents Chemother 51: 4133-40 (2007) Veterans Affairs Medical Center 2D 3D TSV
17846134 3 Molecular and biochemical characterization of the chromosome-encoded class A beta-lactamase BCL-1 from Bacillus clausii.EBI Antimicrob Agents Chemother 51: 4009-14 (2007) H�pital de Bic�tre 2D 3D TSV
17846131 15 Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography.BDB Antimicrob Agents Chemother 51: 3915-23 (2007) University of California at San Francisco 2D 3D TSV
17845856 1 Novel potent macrocyclic inhibitors of the hepatitis C virus NS3 protease: use of cyclopentane and cyclopentene P2-motifs.EBI Bioorg Med Chem 15: 7184-202 (2007) Linköping University 2D 3D TSV
17845854 2 Is adamantane a suitable substituent to pre-organize the acid orientation in E-selectin antagonists?EBI Bioorg Med Chem 16: 1046-56 (2008) University of Basel 2D 3D TSV
17845848 2 Synthesis and in vitro evaluation of a selective antagonist and the corresponding radioligand for the prostaglandin D2 receptor CRTH2.EBI Bioorg Med Chem Lett 17: 5924-7 (2007) University of Southern Denmark 2D 3D TSV
17845020 44 Nitric oxide donor beta2-agonists: furoxan derivatives containing the fenoterol moiety and related furazans.EBI J Med Chem 50: 5003-11 (2007) Universit£ degli Studi di Torino 2D 3D TSV
17845019 21 Pyrido[1,2-a]pyrimidin-4-one derivatives as a novel class of selective aldose reductase inhibitors exhibiting antioxidant activity.EBI J Med Chem 50: 4917-27 (2007) Università di Pisa 2D 3D TSV
17845018 6 Enzyme adaptation to inhibitor binding: a cryptic binding site in phenylethanolamine N-methyltransferase.EBI J Med Chem 50: 4845-53 (2007) University of Queensland 2D 3D TSV
17827022 16 Novel, potent THC/anandamide (hybrid) analogs.EBI Bioorg Med Chem 15: 7850-64 (2007) Organix, Inc. 2D 3D TSV
17827019 86 Phenylethyl-substituted pyrimido[2,1-f]purinediones and related compounds: structure-activity relationships as adenosine A(1) and A(2A) receptor ligands.EBI Bioorg Med Chem 15: 6956-74 (2007) Jagiellonian University Medical College 2D 3D TSV
17827018 64 Click chemistry based solid phase supported synthesis of dopaminergic phenylacetylenes.EBI Bioorg Med Chem 15: 7248-57 (2007) Friedrich Alexander University 2D 3D TSV
17827014 44 Small molecule ago-allosteric modulators of the human glucagon-like peptide-1 (hGLP-1) receptor.EBI Bioorg Med Chem Lett 17: 5472-8 (2007) Pfizer Global Research and Development 2D 3D TSV
17827013 55 Discovery of 4'-(1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-benzonitriles and 4'-(1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-pyridine-2'-carbonitriles as potent checkpoint kinase 1 (Chk1) inhibitors.EBI Bioorg Med Chem Lett 17: 5944-51 (2007) Abbott Laboratories 2D 3D TSV
17827012 30 The design and preliminary structure-activity relationship studies of benzotriazines as potent inhibitors of Abl and Abl-T315I enzymes.EBI Bioorg Med Chem Lett 17: 5812-8 (2007) TargeGen, Inc. 2D 3D TSV
17827011 12 Strategies toward improving the brain penetration of macrocyclic tertiary carbinamine BACE-1 inhibitors.EBI Bioorg Med Chem Lett 17: 5831-5 (2007) Merck Research Laboratories 2D 3D TSV
17827009 116 Synthesis and structure-activity relationship of 4-(2-aryl-cyclopropylamino)-quinoline-3-carbonitriles as EGFR tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 17: 5978-82 (2007) Tanabe Research Laboratories USA, Inc. 2D 3D TSV
17827008 3 From ATP to AZD6140: the discovery of an orally active reversible P2Y12 receptor antagonist for the prevention of thrombosis.EBI Bioorg Med Chem Lett 17: 6013-8 (2007) AstraZeneca 2D 3D TSV
17827006 36 N(4)-Phenyl modifications of N(2)-(2-hydroxyl)ethyl-6-(pyrrolidin-1-yl)-1,3,5-triazine-2,4-diamines enhance glucocerebrosidase inhibition by small molecules with potential as chemical chaperones for Gaucher disease.BDB Bioorg Med Chem Lett 17: 5783-9 (2007) NIH 2D 3D TSV
17827003 68 Design, synthesis, and biological evaluation of triazolopiperazine-based beta-amino amides as potent, orally active dipeptidyl peptidase IV (DPP-4) inhibitors.EBI Bioorg Med Chem Lett 17: 5934-9 (2007) Merck Research Laboratories 2D 3D TSV
17827002 6 Synthesis of poison-frog alkaloids 233A, 235U, and 251AA and their inhibitory effects on neuronal nicotinic acetylcholine receptors.EBI Bioorg Med Chem Lett 17: 5872-5 (2007) University of Toyama 2D 3D TSV
17827000 6 (1R,2S)-4-(2-cyano-cyclohexyl-oxy)-2-trifluoromethyl-benzonitrile, a potent androgen receptor antagonist for stimulating hair growth and reducing sebum production.EBI Bioorg Med Chem Lett 17: 5983-8 (2007) Pfizer Global Research and Development 2D 3D TSV
17826998 3 Synthesis and screening of 3-substituted thioxanthen-9-one-10,10-dioxides.EBI Bioorg Med Chem Lett 17: 5940-3 (2007) University of Texas Medical Branch 2D 3D TSV
17826996 5 Conformationally constrained analogues of 2-arachidonoylglycerol.EBI Bioorg Med Chem Lett 17: 5959-63 (2007) Northeastern University 2D 3D TSV
17826995 48 Design and synthesis of opioidmimetics containing 2',6'-dimethyl-L-tyrosine and a pyrazinone-ring platform.EBI Bioorg Med Chem Lett 17: 5768-71 (2007) Kobe Gakuin University 2D 3D TSV
17826993 17 5'-halogenated analogs of oxymorphindole.EBI Bioorg Med Chem Lett 17: 5916-7 (2007) University of Maryland 2D 3D TSV
17826101 41 Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides.EBI Bioorg Med Chem 15: 7229-36 (2007) Kochi Medical School 2D 3D TSV
17826100 18 Discovery of platelet-type 12-human lipoxygenase selective inhibitors by high-throughput screening of structurally diverse libraries.EBI Bioorg Med Chem 15: 6900-8 (2007) University of California 2D 3D TSV
17826099 24 Inhibitory effect of synthetic C-C biflavones on various phospholipase A(2)s activity.EBI Bioorg Med Chem 15: 7138-43 (2007) Yeungnam University 2D 3D TSV
17826096 86 Hybrid approach for the design of highly affine and selective dopamine D(3) receptor ligands using privileged scaffolds of biogenic amine GPCR ligands.EBI Bioorg Med Chem 15: 7258-73 (2007) Johann Wolfgang Goethe-University 2D 3D TSV
17826092 37 Optimization of triarylimidazoles for Tie2: influence of conformation on potency.EBI Bioorg Med Chem Lett 17: 5514-7 (2007) GlaxoSmithKline 2D 3D TSV
17826090 9 On-resin cyclization of peptide ligands of the Vascular Endothelial Growth Factor Receptor 1 by copper(I)-catalyzed 1,3-dipolar azide-alkyne cycloaddition.EBI Bioorg Med Chem Lett 17: 5590-4 (2007) Université Paris Descartes 2D 3D TSV
17825570 32 Selective angiotensin II AT(2) receptor agonists devoid of the imidazole ring system.EBI Bioorg Med Chem 15: 7166-83 (2007) Uppsala University 2D 3D TSV
17825569 48 The influence of modifications in imide fragment structure on 5-HT(1A) and 5-HT(7) receptor affinity and in vivo pharmacological properties of some new 1-(m-trifluoromethylphenyl)piperazines.BDB Bioorg Med Chem 15: 7116-25 (2007) Polish Academy of Science 2D 3D TSV
17824681 55 Discovery and synthesis of HIV integrase inhibitors: development of potent and orally bioavailable N-methyl pyrimidones.BDB J Med Chem 50: 4953-75 (2007) IRBM-MRL 2D 3D TSV
17824680 31 Structural Modification of the P2' Position of 2,7-Dialkyl-Substituted 5(S)-Amino-4(S)-hydroxy-8-phenyl-octanecarboxamides: The Discovery of Aliskiren, a Potent Nonpeptide Human Renin Inhibitor Active after Once Daily Dosing in Marmosets.BDB J Med Chem 50: 4832-44 (2007) Novartis Pharmaceuticals 2D 3D TSV
17824679 53 Novel 2,7-Dialkyl-Substituted 5(S)-Amino-4(S)-hydroxy-8-phenyl-octanecarboxamide Transition State Peptidomimetics Are Potent and Orally Active Inhibitors of Human Renin.BDB J Med Chem 50: 4818-31 (2007) Novartis Pharmaceuticals 2D 3D TSV
17824599 39 Solid-phase synthesis and insights into structure-activity relationships of safinamide analogues as potent and selective inhibitors of type B monoamine oxidase.EBI J Med Chem 50: 4909-16 (2007) University of Bari 2D 3D TSV
17822907 90 Design, synthesis, and docking studies of new 1,3,4-thiadiazole-2-thione derivatives with carbonic anhydrase inhibitory activity.EBI Bioorg Med Chem 15: 6975-84 (2007) Assiut University 2D 3D TSV
17822900 48 Pyrazole-based cathepsin S inhibitors with improved cellular potency.EBI Bioorg Med Chem Lett 17: 5525-8 (2007) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
17822897 69 2-Benzenesulfonyl-8a-benzyl-hexahydro-2H-isoquinolin-6-ones as selective glucocorticoid receptor antagonists.EBI Bioorg Med Chem Lett 17: 5704-8 (2007) Corcept Therapeutics 2D 3D TSV
17822895 110 Pyrrolidinones as potent functional antagonists of the human melanocortin-4 receptor.EBI Bioorg Med Chem Lett 17: 5610-3 (2007) Neurocrine Biosciences, Inc. 2D 3D TSV
17822894 10 Synthesis of 2,3-diaryl-1,3-thiazolidine-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors.EBI Bioorg Med Chem Lett 17: 5634-7 (2007) Shaheed Beheshti University of Medical Sciences 2D 3D TSV
17822893 61 (3R,4S)-4-(2,4,5-Trifluorophenyl)-pyrrolidin-3-ylamine inhibitors of dipeptidyl peptidase IV: synthesis, in vitro, in vivo, and X-ray crystallographic characterization.EBI Bioorg Med Chem Lett 17: 5638-42 (2007) Pfizer Global Research and Development 2D 3D TSV
17822809 46 3D-QSAR studies of triazafluorenone inhibitors of metabotropic glutamate receptor subtype 1.EBI Eur J Med Chem 43: 1025-34 (2008) Biocampus 2D 3D TSV
17822295 13 Benzylphenethylamine alkaloids from Hosta plantaginea with inhibitory activity against tobacco mosaic virus and acetylcholinesterase.EBI J Nat Prod 70: 1458-61 (2007) Chinese Academy of Sciences 2D 3D TSV
17804234 42 5'-Phenyl-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-2-one inhibitors of ADAMTS-5 (aggrecanase-2).BDB Bioorg Med Chem Lett 17: 5630-3 (2007) Wyeth Research 2D 3D TSV
17804233 29 Kinesin spindle protein (KSP) inhibitors. Part 7: Design and synthesis of 3,3-disubstituted dihydropyrazolobenzoxazines as potent inhibitors of the mitotic kinesin KSP.EBI Bioorg Med Chem Lett 17: 5671-6 (2007) Merck Research Laboratories 2D 3D TSV
17804230 1 Novel steroidal saponins, Sch 725737 and Sch 725739, from a marine starfish, Novodinia antillensis.EBI Bioorg Med Chem Lett 17: 5543-7 (2007) Schering-Plough Research Institute 2D 3D TSV
17804229 31 Discovery and structure-activity relationships of new steroidal compounds bearing a carboxy-terminal side chain as androgen receptor pure antagonists.EBI Bioorg Med Chem Lett 17: 5573-6 (2007) Chugai Pharmaceutical Co. Ltd. 2D 3D TSV
17804228 44 Indoloxypropanolamine analogues as 5-HT(1A) receptor antagonists.EBI Bioorg Med Chem Lett 17: 5600-4 (2007) Lilly Research Laboratories 2D 3D TSV
17804227 28 Optimization of a pyrazoloquinolinone class of Chk1 kinase inhibitors.EBI Bioorg Med Chem Lett 17: 5989-94 (2007) Merck Research Laboratories 2D 3D TSV
17804226 12 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies.BDB Bioorg Med Chem Lett 17: 5563-6 (2007) Lilly Research Laboratories 2D 3D TSV
17804225 33 Rational design of conformationally restricted quinazolinone inhibitors of poly(ADP-ribose)polymerase.EBI Bioorg Med Chem Lett 17: 5577-81 (2007) Astellas Pharma Inc. 2D 3D TSV
17804224 64 Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a.EBI Bioorg Med Chem Lett 17: 5620-3 (2007) Arena Pharmaceuticals 2D 3D TSV
17768051 28 Cyanopyridyl containing 1,4-dihydroindeno[1,2-c]pyrazoles as potent checkpoint kinase 1 inhibitors: improving oral biovailability.EBI Bioorg Med Chem Lett 17: 5665-70 (2007) Abbott Laboratories 2D 3D TSV
17768047 33 Discovery of novel and orally active NR2B-selective N-methyl-D-aspartate (NMDA) antagonists, pyridinol derivatives with reduced HERG binding affinity.EBI Bioorg Med Chem Lett 17: 5533-6 (2007) Pfizer Global Research & Development 2D 3D TSV
17768046 70 Melanocortin subtype 4 receptor agonists: structure-activity relationships about the 4-alkyl piperidine core.EBI Bioorg Med Chem Lett 17: 5720-3 (2007) Merck & Co. 2D 3D TSV
17766114 2 Synthesis and characterization of a pegylated derivative of 3-(1,2,3,6-tetrahydro-pyridin-4yl)-1H-indole (IDT199): a high affinity SERT ligand for conjugation to quantum dots.EBI Bioorg Med Chem Lett 17: 5656-60 (2007) Vanderbilt University 2D 3D TSV
17766113 51 Conformationally restricted homotryptamines. Part 4: Heterocyclic and naphthyl analogs of a potent selective serotonin reuptake inhibitor.EBI Bioorg Med Chem Lett 17: 5647-51 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17766112 22 Synthesis and biological evaluation of amino-pyridines as androgen receptor antagonists for stimulating hair growth and reducing sebum production.EBI Bioorg Med Chem Lett 17: 5693-7 (2007) Pfizer Global Research and Development 2D 3D TSV
17766111 17 Kinesin spindle protein (KSP) inhibitors. Part 8: Design and synthesis of 1,4-diaryl-4,5-dihydropyrazoles as potent inhibitors of the mitotic kinesin KSP.BDB Bioorg Med Chem Lett 17: 5677-82 (2007) Merck Research Laboratories 2D 3D TSV
17766110 16 Synthesis and biological evaluation of a C5-biphenyl thiolactomycin library.EBI Bioorg Med Chem Lett 17: 5643-6 (2007) University of Birmingham 2D 3D TSV
17766109 2 Novel anti-infection agents: small-molecule inhibitors of bacterial transcription factors.EBI Bioorg Med Chem Lett 17: 5652-5 (2007) Paratek Pharmaceuticals, Inc. 2D 3D TSV
17766107 25 Structure-activity relationship study of novel NR2B-selective antagonists with arylamides to avoid reactive metabolites formation.EBI Bioorg Med Chem Lett 17: 5537-42 (2007) Pfizer Global Research & Development 2D 3D TSV
17766106 45 Discovery of (-)-6-[2-[4-(3-fluorophenyl)-4-hydroxy-1-piperidinyl]-1-hydroxyethyl]-3,4-dihydro-2(1H)-quinolinone--a potent NR2B-selective N-methyl D-aspartate (NMDA) antagonist for the treatment of pain.EBI Bioorg Med Chem Lett 17: 5558-62 (2007) Pfizer Global Research & Development 2D 3D TSV
17765547 2 Marine natural products from the Turkish sponge Agelas oroides that inhibit the enoyl reductases from Plasmodium falciparum, Mycobacterium tuberculosis and Escherichia coli.EBI Bioorg Med Chem 15: 6834-45 (2007) University of London 2D 3D TSV
17765546 36 In vitro affinities of various halogenated benzamide derivatives as potential radioligands for non-invasive quantification of D(2)-like dopamine receptors.EBI Bioorg Med Chem 15: 6819-29 (2007) Johannes Gutenberg-University 2D 3D TSV
17765543 56 Dual serotonin transporter inhibitor/histamine H3 antagonists: development of rigidified H3 pharmacophores.EBI Bioorg Med Chem Lett 17: 5325-9 (2007) Johnson & Johnson Pharmaceutical Research and Development L.L.C. 2D 3D TSV
17765263 12 Nucleation of an allosteric response via ligand-induced loop folding.BDB J Mol Biol 373: 96-111 (2007) University of Maryland College Park 2D 3D TSV
17764958 18 Novel (E)-2-(aryl)-3-(4-methanesulfonylphenyl)acrylic ester prodrugs possessing a diazen-1-ium-1,2-diolate moiety: design, synthesis, cyclooxygenase inhibition, and nitric oxide release studies.EBI Bioorg Med Chem 15: 6796-801 (2007) University of Alberta 2D 3D TSV
17764936 41 Pyrazole inhibitors of HMG-CoA reductase: An attempt to dramatically reduce synthetic complexity through minimal analog re-design.BDB Bioorg Med Chem Lett 17: 5567-72 (2007) Pfizer 2D 3D TSV
17764935 32 Preparation of 4-aryl-2-trifluoromethylbenzonitrile derivatives as androgen receptor antagonists for topical suppression of sebum production.EBI Bioorg Med Chem Lett 17: 5529-32 (2007) Pfizer Global Research and Development 2D 3D TSV
17764934 6 Design and synthesis of 7-hydroxy-1H-benzoimidazole derivatives as novel inhibitors of glycogen synthase kinase-3beta.EBI Bioorg Med Chem Lett 17: 5686-9 (2007) CrystalGenomics, Inc. 2D 3D TSV
17764163 61 Structure-activity relationship of a series of inhibitors of monoacylglycerol hydrolysis--comparison with effects upon fatty acid amide hydrolase.EBI J Med Chem 50: 5012-23 (2007) Universidad Complutense 2D 3D TSV
17761421 10 Identification of novel chemical inhibitors for ubiquitin C-terminal hydrolase-L3 by virtual screening.BDB Bioorg Med Chem 15: 6810-8 (2007) Waseda University 2D 3D TSV
17761419 16 Kinesin spindle protein (KSP) inhibitors. Part 6: Design and synthesis of 3,5-diaryl-4,5-dihydropyrazole amides as potent inhibitors of the mitotic kinesin KSP.EBI Bioorg Med Chem Lett 17: 5390-5 (2007) Merck Research Laboratories 2D 3D TSV
17761418 16 Thiophene substituted acylguanidines as BACE1 inhibitors.EBI Bioorg Med Chem Lett 17: 5353-6 (2007) Wyeth Research 2D 3D TSV
17761417 50 Small conformationally restricted piperidine N-arylsulfonamides as orally active gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 17: 5330-5 (2007) Schering-Plough Research Institute 2D 3D TSV
17761416 53 The discovery of 6-amino nicotinamides as potent and selective histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 17: 5300-9 (2007) Merck Research Laboratories 2D 3D TSV
17760433 37 Influence of conformation on GRIND-based three-dimensional quantitative structure-activity relationship (3D-QSAR).EBI J Med Chem 50: 5039-42 (2007) Universit£ di Torino 2D 3D TSV
17728130 36 2-O-carboxymethylpyrogallol derivatives as PTP1B inhibitors with antihyperglycemic activity.EBI Bioorg Med Chem Lett 17: 5357-60 (2007) Inha University 2D 3D TSV
17725339 61 Novel ATP-competitive kinesin spindle protein inhibitors.EBI J Med Chem 50: 4939-52 (2007) GlaxoSmithKline 2D 3D TSV
17725337 40 Synthesis, molecular modeling studies, and preliminary pharmacological characterization of all possible 2-(2'-sulfonocyclopropyl)glycine stereoisomers as conformationally constrained L-homocysteic acid analogs.EBI J Med Chem 50: 4630-41 (2007) Universit£ di Perugia 2D 3D TSV
17724025 8 Structure/function characterization of micro-conotoxin KIIIA, an analgesic, nearly irreversible blocker of mammalian neuronal sodium channels.EBI J Biol Chem 282: 30699-706 (2007) University of Utah 2D 3D TSV
17723305 34 Inhibition of the Mycobacterium tuberculosis enoyl acyl carrier protein reductase InhA by arylamides.BDB Bioorg Med Chem 15: 6649-58 (2007) Incyte Corporation 2D 3D TSV
17723300 55 Pyrrolidine-carboxamides and oxadiazoles as potent hNK1 antagonists.EBI Bioorg Med Chem Lett 17: 5310-5 (2007) Merck Research Laboratories 2D 3D TSV
17723296 23 Synthesis and SAR of 2-aryl pyrido[2,3-d]pyrimidines as potent mGlu5 receptor antagonists.EBI Bioorg Med Chem Lett 17: 5396-9 (2007) Pfizer Global Research & Development 2D 3D TSV
17722905 16 Synthesis and biological activities of new checkpoint kinase 1 inhibitors structurally related to granulatimide.EBI J Med Chem 50: 4669-80 (2007) Université Blaise Pascal 2D 3D TSV
17722904 146 Pharmacological characteristics and binding modes of caracurine V analogues and related compounds at the neuronal alpha7 nicotinic acetylcholine receptor.EBI J Med Chem 50: 4616-29 (2007) University of Copenhagen 2D 3D TSV
17722903 57 Novel substituted (pyridin-3-yl)phenyloxazolidinones: antibacterial agents with reduced activity against monoamine oxidase A and increased solubility.EBI J Med Chem 50: 4868-81 (2007) AstraZeneca Discovery 2D 3D TSV
17722902 16 L-(+)-2-Amino-4-thiophosphonobutyric acid (L-thioAP4), a new potent agonist of group III metabotropic glutamate receptors: increased distal acidity affords enhanced potency.EBI J Med Chem 50: 4656-64 (2007) Université Paris Descartes 2D 3D TSV
17720494 34 Novel sulfonamides having dual dopamine D2 and D3 receptor affinity show in vivo antipsychotic efficacy with beneficial cognitive and EPS profile.EBI Bioorg Med Chem Lett 17: 5340-4 (2007) Gedeon Richter Ltd 2D 3D TSV
17720493 93 Structure-activity relationship studies of carboxamido-biaryl ethers as opioid receptor antagonists (OpRAs). Part 1.EBI Bioorg Med Chem Lett 17: 5349-52 (2007) Lilly Research Laboratories 2D 3D TSV
17720492 107 Capped diaminopropionamide-glycine dipeptides are inhibitors of CC chemokine receptor 2 (CCR2).EBI Bioorg Med Chem Lett 17: 5455-61 (2007) Bristol-Myers Squibb Company 2D 3D TSV
17719700 39 Peptidyl 3-substituted 1-hydroxyureas as isosteric analogues of succinylhydroxamate MMP inhibitors.EBI Eur J Med Chem 43: 1008-14 (2008) Università G. d'Annunzio 2D 3D TSV
17718722 30 Bipiperidinyl carboxylic acid amides as potent, selective, and functionally active CCR4 antagonists.BDB Chem Biol Drug Des 70: 268-72 (2007) Pfizer 2D 3D TSV
17718712 11 Crystal structure of the T315I mutant of AbI kinase.BDB Chem Biol Drug Des 70: 171-81 (2007) ARIAD Pharmaceuticals Inc 2D 3D TSV
17716894 4 Carbocyclic 3'-deoxyadenosine-based highly potent bisubstrate-analog inhibitor of basophilic protein kinases.EBI Bioorg Med Chem Lett 17: 5336-9 (2007) University of Tartu 2D 3D TSV
17715908 57 Inhibitors of tumor progression loci-2 (Tpl2) kinase and tumor necrosis factor alpha (TNF-alpha) production: selectivity and in vivo antiinflammatory activity of novel 8-substituted-4-anilino-6-aminoquinoline-3-carbonitriles.BDB J Med Chem 50: 4728-45 (2007) Wyeth Research 2D 3D TSV
17715128 6 Allosteric transinhibition by specific antagonists in CCR2/CXCR4 heterodimers.EBI J Biol Chem 282: 30062-9 (2007) Université Libre de Bruxelles 2D 3D TSV
17714833 31 Exploration of physicochemical properties and molecular modelling studies of 2-sulfonyl-phenyl-3-phenyl-indole analogs as cyclooxygenase-2 inhibitors.EBI Eur J Med Chem 43: 1297-303 (2008) Institute of Technology and Science 2D 3D TSV
17713898 15 Phenylimidazole derivatives of 4-pyridone as dual inhibitors of bacterial enoyl-acyl carrier protein reductases FabI and FabK.EBI J Med Chem 50: 4710-20 (2007) Meiji Seika Kaisha, Ltd. 2D 3D TSV
17713896 29 Design and evaluation of naphthol- and carbazole-containing fluorescent sigma ligands as potential probes for receptor binding studies.EBI J Med Chem 50: 4648-55 (2007) Universit£ di Bari 2D 3D TSV
17709463 4 TEM-158 (CMT-9), a new member of the CMT-type extended-spectrum beta-lactamases.EBI Antimicrob Agents Chemother 51: 4181-3 (2007) CHU Clermont-Ferrand 2D 3D TSV
17709461 56 Quinuclidine derivatives as potential antiparasitics.EBI Antimicrob Agents Chemother 51: 4049-61 (2007) Cardiff University 2D 3D TSV
17709248 10 Correlation of carboxylic acid pKa to protein binding and antibacterial activity of a novel class of bacterial translation inhibitors.EBI Bioorg Med Chem Lett 17: 5479-82 (2007) Pharmacia Corporation 2D 3D TSV
17709247 33 Design and synthesis of quinolin-2(1H)-one derivatives as potent CDK5 inhibitors.BDB Bioorg Med Chem Lett 17: 5384-9 (2007) Amgen 2D 3D TSV
17708655 10 Glycogen synthase kinase-3 (GSK-3) inhibitory activity and structure-activity relationship (SAR) studies of the manzamine alkaloids. Potential for Alzheimer's disease.EBI J Nat Prod 70: 1397-405 (2007) University of Mississippi 2D 3D TSV
17707953 23 Selectivity criterion for pyrazolo[3,4-b]pyrid[az]ine derivatives as GSK-3 inhibitors: CoMFA and molecular docking studies.EBI Eur J Med Chem 43: 949-57 (2008) National Institute of Pharmaceutical Education and Research 2D 3D TSV
17707951 43 QSAR studies on benzoylaminobenzoic acid derivatives as inhibitors of beta-ketoacyl-acyl carrier protein synthase III.EBI Eur J Med Chem 43: 1071-80 (2008) Shri G.S. Institute of Technology and Science 2D 3D TSV
17707640 116 Pyrimidine benzamide-based thrombopoietin receptor agonists.EBI Bioorg Med Chem Lett 17: 5447-54 (2007) Pfizer Global Research & Development 2D 3D TSV
17706839 44 Molecular modeling studies of phenoxypyrimidinyl imidazoles as p38 kinase inhibitors using QSAR and docking.EBI Eur J Med Chem 43: 830-8 (2008) University College of Pharmaceutical Sciences 2D 3D TSV
17706325 1 Schiff base transition metal complexes as novel inhibitors of xanthine oxidase.EBI Eur J Med Chem 43: 862-71 (2008) Nanjing University 2D 3D TSV
17705362 43 Synthesis and characterization of nonsteroidal glucocorticoid receptor modulators for multiple myeloma.BDB J Med Chem 50: 4699-709 (2007) Ligand Pharmaceuticals Inc. 2D 3D TSV
17705360 76 Structure-based optimization of protein tyrosine phosphatase 1B inhibitors: from the active site to the second phosphotyrosine binding site.EBI J Med Chem 50: 4681-98 (2007) Wyeth Research 2D 3D TSV
17705359 3 Synthesis and in vivo evaluation of fluorine-18 and iodine-123 labeled 2beta-carbo(2-fluoroethoxy)-3beta-(4'-((Z)-2-iodoethenyl)phenyl)nortropane as a candidate serotonin transporter imaging agent.EBI J Med Chem 50: 4553-60 (2007) Emory University 2D 3D TSV
17703938 55 Potent, nonsteroidal selective androgen receptor modulators (SARMs) based on 8H-[1,4]oxazino[2,3-f]quinolin-8-ones.EBI Bioorg Med Chem Lett 17: 5442-6 (2007) Ligand Pharmaceuticals 2D 3D TSV
17702750 1 Long-acting kappa opioid antagonists disrupt receptor signaling and produce noncompetitive effects by activating c-Jun N-terminal kinase.EBI J Biol Chem 282: 29803-11 (2007) University of Washington 2D 3D TSV
17698848 4 Ibogaine, a noncompetitive inhibitor of serotonin transport, acts by stabilizing the cytoplasm-facing state of the transporter.EBI J Biol Chem 282: 29441-7 (2007) Yale University 2D 3D TSV
17698620 15 Targeting of the Brucella suis virulence factor histidinol dehydrogenase by histidinol analogues results in inhibition of intramacrophagic multiplication of the pathogen.EBI Antimicrob Agents Chemother 51: 3752-5 (2007) Université Montpellier II 2D 3D TSV
17698257 41 Class II-selective histone deacetylase inhibitors. Part 2: alignment-independent GRIND 3-D QSAR, homology and docking studies.EBI Eur J Med Chem 43: 621-32 (2008) Università degli Studi di Roma La Sapienza 2D 3D TSV
17697781 29 Structure-activity relationships of 3,4-dihydro-1H-quinazolin-2-one derivatives as potential CDK5 inhibitors.BDB Bioorg Med Chem 15: 6574-95 (2007) Amgen 2D 3D TSV
17696512 50 Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres.BDB J Med Chem 50: 4316-28 (2007) University of Massachusetts Medical School 2D 3D TSV
17696420 2 Conformation-activity relationship of neuropeptide S and some structural mutants: helicity affects their interaction with the receptor.EBI J Med Chem 50: 4501-8 (2007) Istituto di Chimica Biomolecolare 2D 3D TSV
17696419 2 3,17-disubstituted 2-alkylestra-1,3,5(10)-trien-3-ol derivatives: synthesis, in vitro and in vivo anticancer activity.EBI J Med Chem 50: 4431-43 (2007) University of Bath 2D 3D TSV
17696416 45 Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles as Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors.BDB J Med Chem 50: 4351-4373 (2007) Amgen 2D 3D TSV
17696335 8 Design, synthesis, and estrogenic activity of a novel estrogen receptor modulator--a hybrid structure of 17beta-estradiol and vitamin E in hippocampal neurons.EBI J Med Chem 50: 4471-81 (2007) University of Southern California 2D 3D TSV
17696333 2 Crystal Structure of the Anthrax Drug Target, Bacillus anthracis Dihydrofolate Reductase.BDB J Med Chem 50: 4374-81 (2007) University of Tennessee at Knoxville 2D 3D TSV
17693551 2 Structural basis of action for a human ether-a-go-go-related gene 1 potassium channel activator.EBI Proc Natl Acad Sci USA 104: 13827-32 (2007) University of Utah 2D 3D TSV
17693086 4 Synthetic tyrosyl gallate derivatives as potent melanin formation inhibitors.EBI Bioorg Med Chem Lett 17: 5462-4 (2007) AmorePacific Corporation 2D 3D TSV
17692999 6 New amido derivatives as potential BKCa potassium channel activators. XI.EBI Eur J Med Chem 43: 792-9 (2008) Universit£ di Pisa 2D 3D TSV
17692525 33 Mono- and disalicylic acid derivatives: PTP1B inhibitors as potential anti-obesity drugs.EBI Bioorg Med Chem 15: 6535-48 (2007) Inha University 2D 3D TSV
17692519 108 Identification of dissociated non-steroidal glucocorticoid receptor agonists.EBI Bioorg Med Chem Lett 17: 5025-31 (2007) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
17692435 1 Aldehyde dehydrogenase inhibitors: alpha,beta-acetylenic N-substituted aminothiolesters are reversible growth inhibitors of normal epithelial but irreversible apoptogens for cancer epithelial cells from human prostate in culture.EBI Eur J Med Chem 43: 906-16 (2008) INSERM 2D 3D TSV
17692432 18 Synthesis of N-aryl-5-amino-4-cyanopyrazole derivatives as potent xanthine oxidase inhibitors.EBI Eur J Med Chem 43: 771-80 (2008) Universidade do Minho 2D 3D TSV
17692431 48 Structure-activity relationships of Bak derived peptides: affinity and specificity modulations by amino acid replacement.EBI Eur J Med Chem 43: 966-72 (2008) INSERM 2D 3D TSV
17691763 20 2-aroylindoles and 2-aroylbenzofurans with N-hydroxyacrylamide substructures as a novel series of rationally designed histone deacetylase inhibitors.EBI J Med Chem 50: 4405-18 (2007) University of Regensburg 2D 3D TSV
17690258 2 LeuT-desipramine structure reveals how antidepressants block neurotransmitter reuptake.EBI Science 317: 1390-3 (2007) New York University School of Medicine 2D 3D TSV
17689836 101 Towards predictive inhibitor design for the EGFR autophosphorylation activity.EBI Eur J Med Chem 43: 781-91 (2008) Korea Institute of Science and Technology 2D 3D TSV
17689079 36 Dual acting antioxidant A1 adenosine receptor agonists.EBI Bioorg Med Chem Lett 17: 5437-41 (2007) Monash University (Parkville Campus) 2D 3D TSV
17689078 61 Pyrazolo[3,4-d]pyrimidines as potent inhibitors of the insulin-like growth factor receptor (IGF-IR).EBI Bioorg Med Chem Lett 17: 5406-9 (2007) Abbott Laboratories 2D 3D TSV
17686765 4 Tripeptides of RS1 (RSC1A1) inhibit a monosaccharide-dependent exocytotic pathway of Na+-D-glucose cotransporter SGLT1 with high affinity.EBI J Biol Chem 282: 28501-13 (2007) University Würzburg 2D 3D TSV
17686629 6 3,3-diphenylpentane skeleton as a steroid skeleton substitute: novel inhibitors of human 5alpha-reductase 1.EBI Bioorg Med Chem Lett 17: 5414-8 (2007) The University of Tokyo 2D 3D TSV
17685652 1 Flavonoids as opioid receptor ligands: identification and preliminary structure-activity relationships.EBI J Nat Prod 70: 1278-82 (2007) The University of Iowa 2D 3D TSV
17685603 15 Nongenomic actions of bile acids. Synthesis and preliminary characterization of 23- and 6,23-alkyl-substituted bile acid derivatives as selective modulators for the G-protein coupled receptor TGR5.BDB J Med Chem 50: 4265-8 (2007) University di Perugia 2D 3D TSV
17685602 33 Discovery of 3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol as an isozyme-selective inhibitor of PI3K for the treatment of ischemia reperfusion injury associated with myocardial infarction.BDB J Med Chem 50: 4279-94 (2007) TargeGen Inc. 2D 3D TSV
17685503 6 2-Amino-3,4-dihydroquinazolines as Inhibitors of BACE-1 (beta-Site APP Cleaving Enzyme): Use of Structure Based Design to Convert a Micromolar Hit into a Nanomolar Lead.BDB J Med Chem 50: 4261-4 (2007) Johnson & Johnson Pharmaceutical 2D 3D TSV
17684099 4 The Btk tyrosine kinase is a major target of the Bcr-Abl inhibitor dasatinib.EBI Proc Natl Acad Sci USA 104: 13283-8 (2007) Center for Molecular Medicine of the Austrian Academy of Sciences 2D 3D TSV
17684094 2 4-Hydroxynonenal, an endogenous aldehyde, causes pain and neurogenic inflammation through activation of the irritant receptor TRPA1.EBI Proc Natl Acad Sci U S A 104: 13519-24 (2007) Florence University 2D 3D TSV
17683932 55 Discovery of a highly potent series of oxazole-based phosphodiesterase 4 inhibitors.EBI Bioorg Med Chem Lett 17: 5150-4 (2007) Schering-Plough Research Institute 2D 3D TSV
17681796 21 5-(3-Cyclopentyl-2-thioxo-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-pyrrole-2-carbonitrile: A novel, highly potent, selective, and orally active non-steroidal progesterone receptor agonist.EBI Bioorg Med Chem 15: 6556-64 (2007) Wyeth Research 2D 3D TSV
17681794 43 Synthesis, in vitro assay, and molecular modeling of new piperidine derivatives having dual inhibitory potency against acetylcholinesterase and Abeta1-42 aggregation for Alzheimer's disease therapeutics.EBI Bioorg Med Chem 15: 6596-607 (2007) Woosuk University 2D 3D TSV
17681768 23 Selective reversible inhibition of human butyrylcholinesterase by aryl amide derivatives of phenothiazine.EBI Bioorg Med Chem 15: 6367-78 (2007) Dalhousie University 2D 3D TSV
17681760 21 Inhibition of carbonic anhydrase isozymes I, II and IX with benzenesulfonamides containing an organometallic moiety.EBI Bioorg Med Chem Lett 17: 5032-5 (2007) Griffith University 2D 3D TSV
17681466 61 Discovery and SAR study of novel dihydroquinoline-containing glucocorticoid receptor agonists.BDB Bioorg Med Chem Lett 17: 5091-5 (2007) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
17676831 67 Dopamine/serotonin receptor ligands. 16.(1) Expanding dibenz[d,g]azecines to 11- and 12-membered homologues. Interaction with dopamine D(1)-D(5) receptors.EBI J Med Chem 50: 4528-33 (2007) Friedrich-Schiller-Universität Jena 2D 3D TSV
17676829 78 Discovery of Novel Benzimidazoles as Potent Inhibitors of TIE-2 and VEGFR-2 Tyrosine Kinase Receptors.BDB J Med Chem 50: 4453-70 (2007) GSK 2D 3D TSV
17676727 12 Targeting plague virulence factors: a combined machine learning method and multiple conformational virtual screening for the discovery of Yersinia protein kinase A inhibitors.BDB J Med Chem 50: 3980-3 (2007) The Rockefeller University 2D 3D TSV
17676726 12 Synthesis of specific bivalent probes that functionally interact with 5-HT(4) receptor dimers.EBI J Med Chem 50: 4482-92 (2007) Universit£ Paris-Sud 2D 3D TSV
17676725 6 Structure-activity relationship studies of spinorphin as a potent and selective human P2X(3) receptor antagonist.EBI J Med Chem 50: 4543-7 (2007) Institute of Science and Technology 2D 3D TSV
17676039 2 Structural and mechanistic basis of penicillin-binding protein inhibition by lactivicins.EBI Nat Chem Biol 3: 565-9 (2007) Universit£ Joseph Fourier 2D 3D TSV
17675290 14 Histone deacetylase inhibitors suppress TF-kappaB-dependent agonist-driven tissue factor expression in endothelial cells and monocytes.EBI J Biol Chem 282: 28408-18 (2007) University of Minnesota 2D 3D TSV
17672447 25 Functional characterization of Tet-AMPA [tetrazolyl-2-amino-3-(3-hydroxy-5-methyl- 4-isoxazolyl)propionic acid] analogues at ionotropic glutamate receptors GluR1-GluR4. The molecular basis for the functional selectivity profile of 2-Bn-Tet-AMPA.EBI J Med Chem 50: 4177-85 (2007) University of Copenhagen 2D 3D TSV
17672446 149 Heterocyclic analogues of N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)arylcarboxamides with functionalized linking chains as novel dopamine D3 receptor ligands: potential substance abuse therapeutic agents.EBI J Med Chem 50: 4135-46 (2007) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
17672444 22 C1'-cycloalkyl side chain pharmacophore in tetrahydrocannabinols.EBI J Med Chem 50: 4048-60 (2007) National Hellenic Research Foundation 2D 3D TSV
17670938 23 Three classes of glucocerebrosidase inhibitors identified by quantitative high-throughput screening are chaperone leads for Gaucher disease.BDB Proc Natl Acad Sci U S A 104: 13192-7 (2007) NIH 2D 3D TSV
17668922 63 Synthesis and SAR investigations for novel melanin-concentrating hormone 1 receptor (MCH1) antagonists part 2: A hybrid strategy combining key fragments of HTS hits.EBI J Med Chem 50: 3883-90 (2007) Lundbeck Research USA, Inc. 2D 3D TSV
17668921 41 Synthesis and SAR investigations for novel melanin-concentrating hormone 1 receptor (MCH1) antagonists Part 1. The discovery of arylacetamides as viable replacements for the dihydropyrimidinone moiety of an HTS hit.EBI J Med Chem 50: 3870-82 (2007) Lundbeck Research USA, Inc. 2D 3D TSV
17665899 16 Design, synthesis, and in vitro evaluation of carbamate derivatives of 2-benzoxazolyl- and 2-benzothiazolyl-(3-hydroxyphenyl)-methanones as novel fatty acid amide hydrolase inhibitors.EBI J Med Chem 50: 4236-42 (2007) Helsinki University of Technology 2D 3D TSV
17665897 52 N-Acylthiadiazolines, a new class of liver X receptor agonists with selectivity for LXRbeta.BDB J Med Chem 50: 4255-9 (2007) GNF 2D 3D TSV
17665896 30 4-Substituted trinems as broad spectrum beta-lactamase inhibitors: structure-based design, synthesis, and biological activity.EBI J Med Chem 50: 4113-21 (2007) Lek Pharmaceuticals d.d. 2D 3D TSV
17665891 60 New 2-arylpyrazolo[3,4-c]quinoline derivatives as potent and selective human A3 adenosine receptor antagonists. Synthesis, pharmacological evaluation, and ligand-receptor modeling studies.EBI J Med Chem 50: 4061-74 (2007) Università di Firenze 2D 3D TSV
17665890 60 An integrated computational approach to the phenomenon of potent and selective inhibition of aurora kinases B and C by a series of 7-substituted indirubins.EBI J Med Chem 50: 4027-37 (2007) University of Athens 2D 3D TSV
17664327 10 Effects of human immunodeficiency virus protease inhibitors on the intestinal absorption of tenofovir disoproxil fumarate in vitro.EBI Antimicrob Agents Chemother 51: 3498-504 (2007) Gilead Sciences Inc 2D 3D TSV
17664321 6 Plasmid-encoded ACC-4, an extended-spectrum cephalosporinase variant from Escherichia coli.EBI Antimicrob Agents Chemother 51: 3763-7 (2007) Institute 2D 3D TSV
17664070 8 Identification of a novel class of selective Tpl2 kinase inhibitors: 4-Alkylamino-[1,7]naphthyridine-3-carbonitriles.EBI Bioorg Med Chem 15: 6425-42 (2007) Wyeth Research 2D 3D TSV
17664068 27 Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds.EBI Bioorg Med Chem Lett 17: 5019-24 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17664030 24 In vitro PAI-1 inhibitory activity of oxalamide derivatives.EBI Eur J Med Chem 43: 880-4 (2008) Zydus Research Centre 2D 3D TSV
17663538 13 Synthesis, Biological Activity, and Crystal Structure of Potent Nonnucleoside Inhibitors of HIV-1 Reverse Transcriptase That Retain Activity against Mutant Forms of the Enzyme.BDB J Med Chem 50: 4003-4015 (2007) NCI-FCRDC 2D 3D TSV
17662603 10 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 4: functionalization of the benzopyran A-ring.BDB Bioorg Med Chem Lett 17: 5082-5 (2007) Lilly Research Laboratories 2D 3D TSV
17660385 13 [3H]A-778317 [1-((R)-5-tert-butyl-indan-1-yl)-3-isoquinolin-5-yl-urea]: a novel, stereoselective, high-affinity antagonist is a useful radioligand for the human transient receptor potential vanilloid-1 (TRPV1) receptor.BDB J Pharmacol Exp Ther 323: 285-93 (2007) Abbott Laboratories 2D 3D TSV
17659872 15 3-Hydroxy-4-methoxyindolomorphinans as delta opioid selective ligands.EBI Bioorg Med Chem Lett 17: 5175-6 (2007) University of Maryland 2D 3D TSV
17658776 109 Design, synthesis, and biological activity of 5,10-dihydro-dibenzo[b,e][1,4]diazepin-11-one-based potent and selective Chk-1 inhibitors.EBI J Med Chem 50: 4162-76 (2007) Abbott Laboratories 2D 3D TSV
17658737 2 Discovery and optimization of p38 inhibitors via computer-assisted drug design.EBI J Med Chem 50: 4016-26 (2007) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
17658253 23 New fluoro-diphenylchalcogen derivatives to explore the serotonin transporter by PET.EBI Bioorg Med Chem Lett 17: 4991-5 (2007) Institut für Interdisziplinäre Isotopenforschung 2D 3D TSV
17656360 16 Structural basis of enantioselective inhibition of cyclooxygenase-1 by S-alpha-substituted indomethacin ethanolamides.BDB J Biol Chem 282: 28096-105 (2007) Michigan State University 2D 3D TSV
17656319 5 Rational design, synthesis, and biological evaluation of progesterone-modified MRI contrast agents.BDB Chem Biol 14: 824-34 (2007) Northwestern University 2D 3D TSV
17656313 14 Regulation of c-Src nonreceptor tyrosine kinase activity by bengamide A through inhibition of methionine aminopeptidases.BDB Chem Biol 14: 764-74 (2007) The Johns Hopkins University 2D 3D TSV
17656088 15 Identification and characterization of 3-substituted pyrazolyl esters as alternate substrates for cathepsin B: the confounding effects of DTT and cysteine in biological assays.EBI Bioorg Med Chem Lett 17: 4761-6 (2007) University of Pennsylvania 2D 3D TSV
17656086 36 Discovery of selective imidazole-based inhibitors of mammalian 15-lipoxygenase: highly potent against human enzyme within a cellular environment.BDB Bioorg Med Chem Lett 17: 5115-20 (2007) Bristol-Myers Squibb Company 2D 3D TSV
17655330 84 Pharmacological and functional comparison of the polo-like kinase family: insight into inhibitor and substrate specificity.BDB Biochemistry 46: 9551-63 (2007) Abbott Laboratories 2D 3D TSV
17655271 10 Synthetic estrogen derivatives demonstrate the functionality of intracellular GPR30.BDB ACS Chem Biol 2: 536-44 (2007) University of New Mexico Health Sciences Center 2D 3D TSV
17655213 3 5-Substituted imidazole-4-acetic acid analogues: synthesis, modeling, and pharmacological characterization of a series of novel gamma-aminobutyric acid(C) receptor agonists.EBI J Med Chem 50: 4147-61 (2007) University of Copenhagen 2D 3D TSV
17655212 56 Extensive SAR and computational studies of 3-{4-[(benzylmethylamino)methyl]phenyl}-6,7-dimethoxy-2H-2-chromenone (AP2238) derivatives.EBI J Med Chem 50: 4250-4 (2007) University of Bologna 2D 3D TSV
17652517 2 HIV protease inhibitors block the zinc metalloproteinase ZMPSTE24 and lead to an accumulation of prelamin A in cells.EBI Proc Natl Acad Sci USA 104: 13432-7 (2007) University of California 2D 3D TSV
17651969 96 Synthesis and structure-activity relationship of RXR antagonists based on the diazepinylbenzoic acid structure.EBI Bioorg Med Chem Lett 17: 4808-11 (2007) Tsukuba Research Institute 2D 3D TSV
17651968 60 Synthesis and structure-activity relationship of novel RXR antagonists: orally active anti-diabetic and anti-obesity agents.EBI Bioorg Med Chem Lett 17: 4804-7 (2007) Tsukuba Research Institute 2D 3D TSV
17649988 97 Structure-activity relationship study on N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4-aryl-1-piperazinehexanamides, a class of 5-HT7 receptor agents. 2.BDB J Med Chem 50: 4214-21 (2007) Universita degli Studi di Bari 2D 3D TSV
17649976 16 Biochemical and biophysical characterization of inhibitor binding to caspase-3 reveals induced asymmetry.BDB Biochemistry 46: 9462-71 (2007) Wyeth Research 2D 3D TSV
17646652 25 Design of protein membrane interaction inhibitors by virtual ligand screening, proof of concept with the C2 domain of factor V.EBI Proc Natl Acad Sci USA 104: 12697-702 (2007) Maastricht University 2D 3D TSV
17646169 2 (R)- and (S)-verapamil differentially modulate the multidrug-resistant protein MRP1.EBI J Biol Chem 282: 31542-8 (2007) Institut de Biologie et Chimie des Protéines 2D 3D TSV
17643991 48 A novel approach to cyclin-dependent kinase 5/p25 inhibitors: A potential treatment for Alzheimer's disease.EBI Bioorg Med Chem 15: 6397-406 (2007) Dr. Reddy's Laboratories 2D 3D TSV
17643988 92 Enantiopure five-membered cyclicdiamine derivatives as potent and selective inhibitors of factor Xa. Improving in vitro metabolic stability via core modifications.EBI Bioorg Med Chem Lett 17: 5041-8 (2007) Bristol-Myers Squibb Company 2D 3D TSV
17643986 11 Sulfonamide derivatives as new potent and selective CB2 cannabinoid receptor agonists.EBI Bioorg Med Chem Lett 17: 5133-5 (2007) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
17643112 12 Splicing factor SF3b as a target of the antitumor natural product pladienolide.BDB Nat Chem Biol 3: 570-5 (2007) Eisai Co., Ltd. 2D 3D TSV
17640774 1 Cyclic nucleotide phosphodiesterase type 4 inhibitors: evaluation of pyrazolo[1,5-a]-1,3,5-triazine ring system as an adenine bioisostere.EBI Eur J Med Chem 43: 816-29 (2008) Université Louis Pasteur 2D 3D TSV
17638903 6 Structural analysis identifies imidazo[1,2-b]pyridazines as PIM kinase inhibitors with in vitro antileukemic activity.BDB Cancer Res 67: 6916-24 (2007) University Hospital Basel 2D 3D TSV
17638694 2 In vitro antiviral activity and cross-resistance profile of PL-100, a novel protease inhibitor of human immunodeficiency virus type 1.EBI Antimicrob Agents Chemother 51: 4036-43 (2007) Ambrilia Biopharma, Inc. 2D 3D TSV
17637507 21 Comparative molecular field analysis of flavonoid inhibitors of the PIM-1 kinase.EBI Bioorg Med Chem 15: 6463-73 (2007) Loma Linda University School of Medicine 2D 3D TSV
17637506 33 The discovery of potent, selective, and orally bioavailable hNK1 antagonists derived from pyrrolidine.EBI Bioorg Med Chem Lett 17: 5191-8 (2007) Merck & Co. Inc. 2D 3D TSV
17637486 9 Dragon method for finding novel tyrosinase inhibitors: Biosilico identification and experimental in vitro assays.EBI Eur J Med Chem 42: 1370-81 (2007) Central University of Las Villas 2D 3D TSV
17636950 41 Design, synthesis, and biological evaluation of Plasmodium falciparum lactate dehydrogenase inhibitors.BDB J Med Chem 50: 3841-50 (2007) University of Mississippi 2D 3D TSV
17636949 80 Synthesis, flow cytometric evaluation, and identification of highly potent dipyridamole analogues as equilibrative nucleoside transporter 1 inhibitors.BDB J Med Chem 50: 3906-20 (2007) University of Tennessee Health Science Center 2D 3D TSV
17636946 94 Highly potent inhibitors of methionine aminopeptidase-2 based on a 1,2,4-triazole pharmacophore.BDB J Med Chem 50: 3777-85 (2007) GSK 2D 3D TSV
17636914 10 Fragment-based substrate activity screening method for the identification of potent inhibitors of the Mycobacterium tuberculosis phosphatase PtpB.BDB J Am Chem Soc 129: 9613-5 (2007) University of California at Berkeley 2D 3D TSV
17632515 13 Identification and mechanistic characterization of low-molecular-weight inhibitors for HuR.EBI Nat Chem Biol 3: 508-15 (2007) Novartis Institutes for Biomedical Research 2D 3D TSV
17632003 55 Discovery of potent and orally bioavailable heterocycle-based beta3-adrenergic receptor agonists, potential therapeutics for the treatment of obesity.EBI Bioorg Med Chem Lett 17: 5245-50 (2007) Pfizer Global Research and Development 2D 3D TSV
17630989 9 Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies.BDB Chem Biol Drug Des 70: 1-12 (2007) Abbott Laboratories 2D 3D TSV
17630727 76 Design, synthesis, and SAR study of a series of N-alkyl-N'-[2-(aryloxy)-5-nitrobenzenesulfonyl]ureas and -cyanoguanidine as selective antagonists of the TPalpha and TPbeta isoforms of the human thromboxane A2 receptor.EBI J Med Chem 50: 3928-36 (2007) University of Liège 2D 3D TSV
17630726 32 Naphthalen-1-yl-(4-pentyloxynaphthalen-1-yl)methanone: a potent, orally bioavailable human CB1/CB2 dual agonist with antihyperalgesic properties and restricted central nervous system penetration.EBI J Med Chem 50: 3851-6 (2007) Novartis Institutes for BioMedical Research 2D 3D TSV
17630725 52 Alpha2-adrenoreceptors profile modulation. 3.1 (R)-(+)-m-nitrobiphenyline, a new efficient and alpha2C-subtype selective agonist.EBI J Med Chem 50: 3964-8 (2007) Università degli Studi di Camerino 2D 3D TSV
17629702 68 Pyrrolidines as potent functional agonists of the human melanocortin-4 receptor.EBI Bioorg Med Chem Lett 17: 5165-70 (2007) Neurocrine Biosciences, Inc. 2D 3D TSV
17629700 18 Novel substituted tetrahydrotriazaacenaphthylene derivatives as potent CRF1 receptor antagonists.EBI Bioorg Med Chem Lett 17: 5218-21 (2007) GlaxoSmithkline 2D 3D TSV
17629699 42 Synthesis and optimization of novel and selective muscarinic M(3) receptor antagonists.EBI Bioorg Med Chem Lett 17: 5256-60 (2007) Ranbaxy Research Laboratories 2D 3D TSV
17629698 36 Studies on a series of potent, orally bioavailable, 5-HT(1) receptor ligands.EBI Bioorg Med Chem Lett 17: 5214-7 (2007) GlaxoSmithKline 2D 3D TSV
17629697 79 Discovery and SAR studies of novel GlyT1 inhibitors.EBI Bioorg Med Chem Lett 17: 5233-8 (2007) Lilly Research Laboratories 2D 3D TSV
17629487 20 Alpha-substituted N-(4-tert-butylbenzyl)-N'-[4-(methylsulfonylamino)benzyl]thiourea analogues as potent and stereospecific TRPV1 antagonists.BDB Bioorg Med Chem 15: 6043-53 (2007) Seoul National University 2D 3D TSV
17629261 8 Inhibition of the bacterial heme oxygenases from Pseudomonas aeruginosa and Neisseria meningitidis: novel antimicrobial targets.EBI J Med Chem 50: 3804-13 (2007) University of Maryland 2D 3D TSV
17626010 4 Proximity-accelerated chemical coupling reaction in the benzodiazepine-binding site of gamma-aminobutyric acid type A receptors: superposition of different allosteric modulators.EBI J Biol Chem 282: 26316-25 (2007) University of Bern 2D 3D TSV
17625813 33 Probes for narcotic receptor mediated phenomena. 34. Synthesis and structure-activity relationships of a potent mu-agonist delta-antagonist and an exceedingly potent antinociceptive in the enantiomeric C9-substituted 5-(3-hydroxyphenyl)-N-phenylethylmorphan series.EBI J Med Chem 50: 3765-76 (2007) National Institute on Drug Abuse 2D 3D TSV
17624788 104 Novel 1-(azacyclyl)-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines as 5-HT6 agonists and antagonists.EBI Bioorg Med Chem 15: 6208-26 (2007) Wyeth Research 2D 3D TSV
17624777 31 Synthesis and structure-activity relationship of novel indene N-oxide derivatives as potent peroxisome proliferator activated receptor gamma (PPARgamma) agonists.EBI Bioorg Med Chem Lett 17: 5239-44 (2007) Korea Research Institute of Chemical Technology 2D 3D TSV
17624631 9 Chemiluminescent high-throughput microassay applied to imidazo[2,1-b]thiazole derivatives as potential acetylcholinesterase and butyrylcholinesterase inhibitors.EBI Eur J Med Chem 43: 657-61 (2008) Università di Bologna 2D 3D TSV
17623656 34 Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.EBI J Biol Chem 282: 27781-91 (2007) Pfizer Global Research and Development 2D 3D TSV
17622128 13 Synthesis and antiviral evaluation of 6-(alkyl-heteroaryl)furo[2,3-d]pyrimidin-2(3H)-one nucleosides and analogues with ethynyl, ethenyl, and ethyl spacers at C6 of the furopyrimidine core.EBI J Med Chem 50: 3897-905 (2007) Brigham Young University 2D 3D TSV
17620441 5 Novel antagonists of the thioesterase domain of human fatty acid synthase.BDB Mol Cancer Ther 6: 2120-6 (2007) Burnham Institute for Medical Research 2D 3D TSV
17618123 674 Design and synthesis of a library of tertiary amides: evaluation as mimetics of the melanocortins' active core.EBI Bioorg Med Chem 15: 5787-810 (2007) Uppsala University 2D 3D TSV
17618115 1 Mycophenolic acid as a latent agonist of PPARgamma.EBI Bioorg Med Chem Lett 17: 4767-70 (2007) Hokkaido University 2D 3D TSV
17618114 11 Pyridinylimidazole inhibitors of Tie2 kinase.EBI Bioorg Med Chem Lett 17: 4756-60 (2007) GlaxoSmithKline 2D 3D TSV
17618113 6 Novel inhibitor for fibroblast growth factor receptor tyrosine kinase.EBI Bioorg Med Chem Lett 17: 4812-8 (2007) Mahidol University 2D 3D TSV
17616632 11 Identification of a Bis-guanylhydrazone [4,4'-Diacetyldiphenylurea-bis(guanylhydrazone); NSC 109555] as a novel chemotype for inhibition of Chk2 kinase.BDB Mol Pharmacol 72: 876-84 (2007) NIH 2D 3D TSV
17616524 6 Live cell monitoring of mu-opioid receptor-mediated G-protein activation reveals strong biological activity of close morphine biosynthetic precursors.BDB J Biol Chem 282: 27126-32 (2007) University of Würzburg 2D 3D TSV
17616397 107 Benzylamine histamine H(3) antagonists and serotonin reuptake inhibitors.EBI Bioorg Med Chem Lett 17: 4799-803 (2007) Johnson & Johnson Pharmaceutical Research & Development LLC 2D 3D TSV
17616395 43 Non-steroidal glucocorticoid agonists: the discovery of aryl pyrazoles as A-ring mimetics.EBI Bioorg Med Chem Lett 17: 4737-45 (2007) GlaxoSmithKline 2D 3D TSV
17616394 37 Caprolactams as potent CGRP receptor antagonists for the treatment of migraine.EBI Bioorg Med Chem Lett 17: 4795-8 (2007) Merck Research Laboratories 2D 3D TSV
17616115 61 Orally bioavailable potent soluble epoxide hydrolase inhibitors.EBI J Med Chem 50: 3825-40 (2007) University of California-Davis 2D 3D TSV
17616113 63 Design and synthesis of a new class of selective integrin alpha5beta1 antagonists.EBI J Med Chem 50: 3786-94 (2007) Jerini AG 2D 3D TSV
17614291 24 Hydroxyethylene isosteres of selective neuronal nitric oxide synthase inhibitors.BDB Bioorg Med Chem 15: 6096-108 (2007) Northwestern University 2D 3D TSV
17614275 16 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 3: synthesis of cyclopentanone and cyclohexanone intermediates for C-ring modification.BDB Bioorg Med Chem Lett 17: 4824-8 (2007) Lilly Research Laboratories 2D 3D TSV
17611112 36 A new therapeutic approach in Alzheimer disease: some novel pyrazole derivatives as dual MAO-B inhibitors and antiinflammatory analgesics.EBI Bioorg Med Chem 15: 5775-86 (2007) Hacettepe University 2D 3D TSV
17611106 23 4-Amino-6-piperazin-1-yl-pyrimidine-5-carbaldehyde oximes as potent FLT-3 inhibitors.EBI Bioorg Med Chem Lett 17: 4861-5 (2007) Johnson and Johnson Pharmaceutical Research and Development LLC 2D 3D TSV
17608532 11 Prenylated xanthones from the root bark of Cudrania tricuspidata.EBI J Nat Prod 70: 1207-9 (2007) Chungbuk National University 2D 3D TSV
17608467 33 Synthesis and identification of [1,2,4]thiadiazole derivatives as a new series of potent and orally active dual agonists of peroxisome proliferator-activated receptors alpha and delta.BDB J Med Chem 50: 3954-63 (2007) Johnson & Johnson Pharmaceutical 2D 3D TSV
17608398 14 Discovery of N-{(1S,2S)-2-(3-cyanophenyl)- 3-[4-(2-[18F]fluoroethoxy)phenyl]-1-methylpropyl}- 2-methyl-2-[(5-methylpyridin-2-yl)oxy]propanamide, a cannabinoid-1 receptor positron emission tomography tracer suitable for clinical use.EBI J Med Chem 50: 3427-30 (2007) TBA 2D 3D TSV
17606915 4 Discovery of antiandrogen activity of nonsteroidal scaffolds of marketed drugs.EBI Proc Natl Acad Sci USA 104: 11927-32 (2007) The Scripps Research Institute 2D 3D TSV
17606376 51 Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.BDB Bioorg Med Chem 15: 6170-81 (2007) Wyeth Research 2D 3D TSV
17606372 66 5-((4-Aminopiperidin-1-yl)methyl)pyrrolotriazine dual inhibitors of EGFR and HER2 protein tyrosine kinases.EBI Bioorg Med Chem Lett 17: 4947-54 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17606370 2 Trithiocarbonates: exploration of a new head group for HDAC inhibitors.EBI Bioorg Med Chem Lett 17: 4746-52 (2007) Altana Pharma AG 2D 3D TSV
17604633 85 2D Quantitative structure-activity relationship studies on a series of cholesteryl ester transfer protein inhibitors.EBI Bioorg Med Chem 15: 6242-52 (2007) Universidade Federal da Bahia 2D 3D TSV
17604631 22 'Bridged' stilbene derivatives as selective cyclooxygenase-1 inhibitors.EBI Bioorg Med Chem 15: 6109-18 (2007) University of Vienna 2D 3D TSV
17604625 63 alpha,alpha-Cyclic aminoacids as useful scaffolds for the preparation of hNK(2) receptor antagonists.EBI Bioorg Med Chem Lett 17: 4841-4 (2007) Menarini Ricerche SpA 2D 3D TSV
17604175 5 Synthesis and pharmacochemical evaluation of novel aryl-acetic acid inhibitors of lipoxygenase, antioxidants, and anti-inflammatory agents.EBI Bioorg Med Chem 15: 5819-27 (2007) Aristotle University of Thessaloniki 2D 3D TSV
17604171 20 Metabolically labile cannabinoid esters: a 'soft drug' approach for the development of cannabinoid-based therapeutic drugs.EBI Bioorg Med Chem Lett 17: 4878-81 (2007) Università di Pisa 2D 3D TSV
17604169 17 Synthesis of novel bicyclo[4.1.0]heptane and bicyclo[3.1.0]hexane derivatives as melanin-concentrating hormone receptor R1 antagonists.EBI Bioorg Med Chem Lett 17: 4845-50 (2007) Schering-Plough Research Institute K15 2545 2D 3D TSV
17604168 3 Synthesis of desformylflustrabromine and its evaluation as an alpha4beta2 and alpha7 nACh receptor modulator.EBI Bioorg Med Chem Lett 17: 4855-60 (2007) Virginia Commonwealth University 2D 3D TSV
17602800 92 QSAR study of heparanase inhibitors activity using artificial neural networks and Levenberg-Marquardt algorithm.EBI Eur J Med Chem 43: 548-56 (2008) Sharif University of Technology 2D 3D TSV
17602798 54 3D-QSAR and docking studies of aminopyridine carboxamide inhibitors of c-Jun N-terminal kinase-1.EBI Eur J Med Chem 43: 604-13 (2008) Chinese Academy of Sciences 2D 3D TSV
17602796 5 Synthesis and adenosine receptor binding studies of some novel triazolothienopyrimidines.EBI Eur J Med Chem 43: 614-20 (2008) University College of Pharmaceutical Sciences 2D 3D TSV
17602602 117 Synthesis, monoamine transporter binding, properties, and functional monoamine uptake activity of 3beta-[4-methylphenyl and 4-chlorophenyl]-2 beta-[5-(substituted phenyl)thiazol-2-yl]tropanes.BDB J Med Chem 50: 3686-95 (2007) Research Triangle Institute 2D 3D TSV
17602546 20 Synthesis and biological evaluation of 1-amino-2-phosphonomethylcyclopropanecarboxylic acids, new group III metabotropic glutamate receptor agonists.EBI J Med Chem 50: 3585-95 (2007) University Paris Descartes 2D 3D TSV
17602545 11 Rational optimization of the binding affinity of CD4 targeting peptidomimetics with potential anti HIV activity.EBI J Med Chem 50: 3482-8 (2007) University of Hamburg 2D 3D TSV
17602544 12 Synthesis and evaluation of novel radioiodinated benzamides for malignant melanoma.EBI J Med Chem 50: 3561-72 (2007) Radiopharmaceuticals Research Institute 2D 3D TSV
17601739 30 Synthesis and biological evaluation of sulfonylhydrazone-substituted imidazo[1,2-a]pyridines as novel PI3 kinase p110alpha inhibitors.BDB Bioorg Med Chem 15: 5837-44 (2007) Astellas Pharma Inc. 2D 3D TSV
17601735 24 Functionalization of the 6,14-bridge of the orvinols. Part 3: preparation and pharmacological evaluation of 18- and 19-hydroxyl substituted orvinols.EBI Bioorg Med Chem Lett 17: 4829-31 (2007) University of Maryland 2D 3D TSV
17601734 102 Indanylacetic acids as PPAR-delta activator insulin sensitizers.EBI Bioorg Med Chem Lett 17: 4369-73 (2007) Bayer Research Center 2D 3D TSV
17600707 48 Oxazolones as potent inhibitors of 11beta-hydroxysteroid dehydrogenase type 1.EBI Bioorg Med Chem Lett 17: 4837-40 (2007) Biovitrum AB 2D 3D TSV
17600706 14 Phenylimidazole derivatives as new inhibitors of bacterial enoyl-ACP reductase FabK.EBI Bioorg Med Chem Lett 17: 4982-6 (2007) Meiji Seika Kaisha Ltd 2D 3D TSV
17600705 43 N-4-Pyrimidinyl-1H-indazol-4-amine inhibitors of Lck: indazoles as phenol isosteres with improved pharmacokinetics.BDB Bioorg Med Chem Lett 17: 4363-8 (2007) GSK 2D 3D TSV
17599916 6 Molecular mechanism of action of monocyclam versus bicyclam non-peptide antagonists in the CXCR4 chemokine receptor.EBI J Biol Chem 282: 27354-65 (2007) University of Copenhagen 2D 3D TSV
17596944 10 Design, synthesis, and discovery of stilbene derivatives based on lithospermic acid B as potent protein tyrosine phosphatase 1B inhibitors.EBI Bioorg Med Chem Lett 17: 4481-6 (2007) Yonsei University 2D 3D TSV
17595071 3 Glyceraldehyde 3-phosphate dehydrogenase is a cellular target of the insulin mimic demethylasterriquinone B1.EBI J Med Chem 50: 3423-6 (2007) TBA 2D 3D TSV
17591851 2 Interactions of ceftobiprole with beta-lactamases from molecular classes A to D.EBI Antimicrob Agents Chemother 51: 3089-95 (2007) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
17591763 27 Conformationally constrained analogues of diacylglycerol (DAG). 28. DAG-dioxolanones reveal a new additional interaction site in the C1b domain of PKC delta.EBI J Med Chem 50: 3465-81 (2007) National Cancer Institute-Frederick 2D 3D TSV
17591762 102 Potent and selective nonpeptidic inhibitors of procollagen C-proteinase.EBI J Med Chem 50: 3442-56 (2007) Pfizer Global Research and Development 2D 3D TSV
17591443 2 Modification of eukaryotic initiation factor 5A from Plasmodium vivax by a truncated deoxyhypusine synthase from Plasmodium falciparum: An enzyme with dual enzymatic properties.EBI Bioorg Med Chem 15: 6200-7 (2007) Institute for Medical Parasitology 2D 3D TSV
17590341 3 Structure-based design of alpha-amido aldehyde containing gluten peptide analogues as modulators of HLA-DQ2 and transglutaminase 2.EBI Bioorg Med Chem 15: 6253-61 (2007) Stanford University 2D 3D TSV
17590335 39 Rational design of 7-arylquinolines as non-competitive metabotropic glutamate receptor subtype 5 antagonists.EBI Bioorg Med Chem Lett 17: 4415-8 (2007) Pfizer Global Research and Development 2D 3D TSV
17590332 108 The identification of potent, selective, and bioavailable cathepsin S inhibitors.BDB Bioorg Med Chem Lett 17: 4929-33 (2007) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
17588934 10 An antifungal agent inhibits an aminoacyl-tRNA synthetase by trapping tRNA in the editing site.EBI Science 316: 1759-1761 (2007) Anacor Pharmaceuticals, Inc 2D 3D TSV
17588900 27 Sirtuin 2 inhibitors rescue alpha-synuclein-mediated toxicity in models of Parkinson's disease.EBI Science 317: 516-9 (2007) Harvard Medical School 2D 3D TSV
17588749 12 Evaluation of broad spectrum protein kinase inhibitors to probe the architecture of the malarial cyclin dependent protein kinase Pfmrk.EBI Bioorg Med Chem Lett 17: 4961-6 (2007) Institute of Research 2D 3D TSV
17588748 46 Discovery of a novel class of benzazepinone Na(v)1.7 blockers: potential treatments for neuropathic pain.EBI Bioorg Med Chem Lett 17: 4630-4 (2007) Merck Research Laboratories 2D 3D TSV
17588746 103 SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa.EBI Bioorg Med Chem Lett 17: 4419-27 (2007) Bristol-Myers Squibb Company 2D 3D TSV
17588745 41 Agonist lead identification for the high affinity niacin receptor GPR109a.EBI Bioorg Med Chem Lett 17: 4914-9 (2007) Arena Pharmaceuticals 2D 3D TSV
17588744 18 Design, synthesis, and evaluation of isoindolinone-hydroxamic acid derivatives as histone deacetylase (HDAC) inhibitors.EBI Bioorg Med Chem Lett 17: 4895-900 (2007) The University of Tokyo 2D 3D TSV
17587586 31 New chemical tools for investigating human mitotic kinesin Eg5.EBI Bioorg Med Chem 15: 6474-88 (2007) CNRS-Université Louis Pasteur 2D 3D TSV
17587578 45 Discovery and optimization of novel, non-steroidal glucocorticoid receptor modulators.EBI Bioorg Med Chem Lett 17: 4901-5 (2007) Argenta Discovery Ltd 2D 3D TSV
17587576 1 Gypsophin: a novel alpha-glucosidase inhibitory cyclic peptide from the roots of Gypsophila oldhamiana.EBI Bioorg Med Chem Lett 17: 4460-3 (2007) China Pharmaceutical University 2D 3D TSV
17587575 11 Interaction of O-(undec-10-en)-yl-D-glucose derivatives with the Plasmodium falciparum hexose transporter (PfHT).EBI Bioorg Med Chem Lett 17: 4934-7 (2007) Université Joseph Fourier 2D 3D TSV
17587573 33 2-Aryl-N-acyl indole derivatives as liver X receptor (LXR) agonists.BDB Bioorg Med Chem Lett 17: 4442-6 (2007) Tanabe Research Laboratories USA 2D 3D TSV
17587570 34 Potent and selective CC-chemokine receptor-2 (CCR2) antagonists as a potential treatment for asthma.EBI Bioorg Med Chem Lett 17: 4382-6 (2007) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
17585855 65 Isatin sulfonamide analogs containing a Michael addition acceptor: a new class of caspase 3/7 inhibitors.EBI J Med Chem 50: 3751-5 (2007) Washington University School of Medicine 2D 3D TSV
17585854 42 From tyrosine to glycine: synthesis and biological activity of potent antagonists of the purinergic P2X7 receptor.EBI J Med Chem 50: 3706-15 (2007) Università di Ferrara 2D 3D TSV
17585753 26 Acridone-based inhibitors of inosine 5'-monophosphate dehydrogenase: discovery and SAR leading to the identification of N-(2-(6-(4-ethylpiperazin-1-yl)pyridin-3-yl)propan-2-yl)-2- fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide (BMS-566419).BDB J Med Chem 50: 3730-42 (2007) Bristol-Myers Squibb Company 2D 3D TSV
17585752 10 Imidazolylmethylbenzophenones as highly potent aromatase inhibitors.EBI J Med Chem 50: 3420-2 (2007) TBA 2D 3D TSV
17585751 48 Novel vanilloid receptor-1 antagonists: 3. The identification of a second-generation clinical candidate with improved physicochemical and pharmacokinetic properties.BDB J Med Chem 50: 3528-39 (2007) Amgen 2D 3D TSV
17585750 63 Novel vanilloid receptor-1 antagonists: 2. Structure-activity relationships of 4-oxopyrimidines leading to the selection of a clinical candidate.BDB J Med Chem 50: 3515-27 (2007) Amgen 2D 3D TSV
17585749 56 Novel vanilloid receptor-1 antagonists: 1. Conformationally restricted analogues of trans-cinnamides.BDB J Med Chem 50: 3497-514 (2007) Amgen 2D 3D TSV
17585748 31 Structure-activity studies and analgesic efficacy of N-(3-pyridinyl)-bridged bicyclic diamines, exceptionally potent agonists at nicotinic acetylcholine receptors.EBI J Med Chem 50: 3627-44 (2007) Abbott Laboratories 2D 3D TSV
17584609 5 Synthesis of unnatural flavonoids and stilbenes by exploiting the plant biosynthetic pathway in Escherichia coli.BDB Chem Biol 14: 613-21 (2007) University of Tokyo 2D 3D TSV
17583952 5 Endiandrin A, a potent glucocorticoid receptor binder isolated from the Australian plant Endiandra anthropophagorum.EBI J Nat Prod 70: 1118-21 (2007) Griffith University 2D 3D TSV
17583504 51 Pyrrolidino-tetrahydroisoquinolines bearing pendant heterocycles as potent dual H3 antagonist and serotonin transporter inhibitors.EBI Bioorg Med Chem Lett 17: 4374-7 (2007) Johnson & Johnson Pharmaceutical Research & Development L.L.C. 2D 3D TSV
17583500 31 Aminopyrrolidineamide inhibitors of site-1 protease.EBI Bioorg Med Chem Lett 17: 4411-4 (2007) Pfizer Global Research and Development-Groton Laboratories 2D 3D TSV
17583335 49 In vitro structure-activity relationship and in vivo characterization of 1-(aryl)-3-(4-(amino)benzyl)urea transient receptor potential vanilloid 1 antagonists.BDB J Med Chem 50: 3651-60 (2007) Abbott Laboratories 2D 3D TSV
17583334 13 Discovery of isonicotinamide derived beta-secretase inhibitors: in vivo reduction of beta-amyloid.EBI J Med Chem 50: 3431-3 (2007) TBA 2D 3D TSV
17583333 4 Platinum complexes can inhibit matrix metalloproteinase activity: platinum-diethyl[(methylsulfinyl)methyl]phosphonate complexes as inhibitors of matrix metalloproteinases 2, 3, 9, and 12.EBI J Med Chem 50: 3434-41 (2007) Università di Bari 2D 3D TSV
17582773 8 Synthesis and biological activities of isogranulatimide analogues.EBI Bioorg Med Chem 15: 5965-80 (2007) Université Blaise Pascal 2D 3D TSV
17582766 3 Design, synthesis, and molecular modeling studies of 5'-deoxy-5'-ureidoadenosine: 5'-ureido group as multiple hydrogen bonding donor in the active site of S-adenosylhomocysteine hydrolase.EBI Bioorg Med Chem Lett 17: 4456-9 (2007) Ewha Womans University 2D 3D TSV
17582660 14 Synthesis and biochemical evaluation of guanidino-alkyl-ribitol derivatives as nucleoside hydrolase inhibitors.EBI Eur J Med Chem 43: 315-26 (2008) University of Antwerp 2D 3D TSV
17582659 22 Synthesis and cannabinoid activity of 1-substituted-indole-3-oxadiazole derivatives: novel agonists for the CB1 receptor.EBI Eur J Med Chem 43: 513-39 (2008) Monash University (Parkville Campus) 2D 3D TSV
17581239 25 Structure-based drug design of pyrrolidine-1, 2-dicarboxamides as a novel series of orally bioavailable factor Xa inhibitors.BDB Chem Biol Drug Des 69: 444-50 (2007) Pfizer Global Research and Development, 2D 3D TSV
17580847 67 Synthetic studies of neoclerodane diterpenes from Salvia divinorum: preparation and opioid receptor activity of salvinicin analogues.EBI J Med Chem 50: 3596-603 (2007) The University of Iowa 2D 3D TSV
17580845 45 Dual aromatase-steroid sulfatase inhibitors.BDB J Med Chem 50: 3540-60 (2007) University of Bath 2D 3D TSV
17580843 38 Thiosemicarbazones of formyl benzoic acids as novel potent inhibitors of estrone sulfatase.EBI J Med Chem 50: 3661-6 (2007) Institute for Natural Products Research and Infection Biology 2D 3D TSV
17579384 27 SAR and QSAR studies on the N-terminally acylated pentapeptide agonists for GPR54.EBI J Med Chem 50: 3222-8 (2007) Kyoto University 2D 3D TSV
17579383 6 Fluorine-18-labeled benzamide analogues for imaging the sigma2 receptor status of solid tumors with positron emission tomography.EBI J Med Chem 50: 3194-204 (2007) Washington University School of Medicine 2D 3D TSV
17576067 68 Synthesis of novel lactam derivatives and their evaluation as ligands for the dopamine receptors, leading to a D(4)-selective ligand.EBI Bioorg Med Chem 15: 5811-8 (2007) Cairo University 2D 3D TSV
17576064 30 Benzo[b]thiophene-based histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 17: 4562-7 (2007) Merck Research Laboratories 2D 3D TSV
17576063 69 The discovery of carboline analogs as potent MAPKAP-K2 inhibitors.BDB Bioorg Med Chem Lett 17: 4664-9 (2007) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
17576061 132 Synthesis and structure-activity relationship of a novel, non-hydroxamate series of TNF-alpha converting enzyme inhibitors.EBI Bioorg Med Chem Lett 17: 4678-82 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17574851 10 Synthesis and matrix metalloproteinase (MMP)-12 inhibitory activity of ageladine A and its analogs.EBI Bioorg Med Chem Lett 17: 4495-9 (2007) Kyorin Pharmaceutical Co. Ltd 2D 3D TSV
17574850 27 Himbacine derived thrombin receptor (PAR-1) antagonists: SAR of the pyridine ring.EBI Bioorg Med Chem Lett 17: 4509-13 (2007) Schering-Plough Research Institute 2D 3D TSV
17574849 7 Inhibitors of anthrax lethal factor.EBI Bioorg Med Chem Lett 17: 4575-8 (2007) Purdue University 2D 3D TSV
17574424 28 Aza analogues of equol: novel ligands for estrogen receptor beta.EBI Bioorg Med Chem 15: 5828-36 (2007) Chinese Academy of Sciences 2D 3D TSV
17574423 44 Rational design of 6-(2,4-diaminopyrimidinyl)-1,4-benzoxazin-3-ones as small molecule renin inhibitors.BDB Bioorg Med Chem 15: 5912-49 (2007) Pfizer 2D 3D TSV
17574418 117 Identification of a novel series of benzimidazoles as potent and selective antagonists of the human melanocortin-4 receptor.EBI Bioorg Med Chem Lett 17: 4464-70 (2007) Institut Henri Beaufour 2D 3D TSV
17574417 98 SAR of a novel 'Anthranilamide Like' series of VEGFR-2, multi protein kinase inhibitors for the treatment of cancer.EBI Bioorg Med Chem Lett 17: 4378-81 (2007) Bayer Research Center 2D 3D TSV
17574416 39 Design, synthesis, and evaluation of 3,4-disubstituted pyrazole analogues as anti-tumor CDK inhibitors.EBI Bioorg Med Chem Lett 17: 4557-61 (2007) Johnson & Johnson Pharmaceutical Research & Development L.L.C. 2D 3D TSV
17574414 15 Design and synthesis of 6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid derivatives as PPARgamma activators.EBI Bioorg Med Chem Lett 17: 4613-8 (2007) National Institute of Pharmaceutical Education and Research 2D 3D TSV
17574413 24 Synthesis and SAR of tetrahydropyrrolo[1,2-b][1,2,5]thiadiazol-2(3H)-one 1,1-dioxide analogues as highly potent selective androgen receptor modulators.EBI Bioorg Med Chem Lett 17: 4487-90 (2007) Bristol-Myers Squibb Research and Development 2D 3D TSV
17574412 31 Design and synthesis of hepatoselective, pyrrole-based HMG-CoA reductase inhibitors.EBI Bioorg Med Chem Lett 17: 4538-44 (2007) Pfizer Global Research & Development 2D 3D TSV
17574411 15 Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.EBI Bioorg Med Chem Lett 17: 4531-7 (2007) Pfizer Global Research & Development 2D 3D TSV
17574410 3 Identification and optimization of novel 1,3,4-oxadiazole EP1 receptor antagonists.EBI Bioorg Med Chem Lett 17: 4450-5 (2007) GlaxoSmithKline 2D 3D TSV
17574306 29 Synthesis and biological evaluation of helicid analogues as novel acetylcholinesterase inhibitors.EBI Eur J Med Chem 43: 166-73 (2008) Sun Yat-sen University 2D 3D TSV
17573346 2 Insensitivity to Abeta42-lowering nonsteroidal anti-inflammatory drugs and gamma-secretase inhibitors is common among aggressive presenilin-1 mutations.EBI J Biol Chem 282: 24504-13 (2007) Emmy Noether Research Group 2D 3D TSV
17572094 93 SAR study of bicyclo[4.1.0]heptanes as melanin-concentrating hormone receptor R1 antagonists: taming hERG.EBI Bioorg Med Chem 15: 5369-85 (2007) Schering-Plough Research Institute K15 2545 2D 3D TSV
17572088 11 Optimization of novel combi-molecules: identification of balanced and mixed bcr-abl/DNA targeting properties.EBI Bioorg Med Chem Lett 17: 4248-53 (2007) McGill University/Royal Victoria Hospital 2D 3D TSV
17571866 49 Synthesis and simple 18F-labeling of 3-fluoro-5-(2-(2-(fluoromethyl)thiazol-4-yl)ethynyl)benzonitrile as a high affinity radioligand for imaging monkey brain metabotropic glutamate subtype-5 receptors with positron emission tomography.EBI J Med Chem 50: 3256-66 (2007) National Institute of Mental Health 2D 3D TSV
17571865 1 Enaminone amides as novel orally active GABAA receptor modulators.EBI J Med Chem 50: 3369-79 (2007) University of California-Irvine 2D 3D TSV
17570666 64 Novel tetrahydro-beta-carboline-1-carboxylic acids as inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK-2).EBI Bioorg Med Chem Lett 17: 4657-63 (2007) Pfizer Global Research and Development 2D 3D TSV
17570665 19 Discovery of a potent CDK2 inhibitor with a novel binding mode, using virtual screening and initial, structure-guided lead scoping.BDB Bioorg Med Chem Lett 17: 3880-5 (2007) Vernalis (R&D) Ltd 2D 3D TSV
17570663 3 A novel arginine methyltransferase inhibitor with cellular activity.EBI Bioorg Med Chem Lett 17: 4150-3 (2007) Albert-Ludwigs-University of Freiburg 2D 3D TSV
17569517 7 Novel boron-containing, nonclassical antifolates: synthesis and preliminary biological and structural evaluation.EBI J Med Chem 50: 3283-9 (2007) Southern Research Institute 2D 3D TSV
17569516 14 Synthesis and pharmacological evaluation of phenylethynyl[1,2,4]methyltriazines as analogues of 3-methyl-6-(phenylethynyl)pyridine.EBI J Med Chem 50: 3388-91 (2007) Research Triangle Institute 2D 3D TSV
17568748 1 RAS-RAF-MEK-dependent oxidative cell death involving voltage-dependent anion channels.EBI Nature 447: 864-868 (2007) Department of Biological Sciences, Fairchild Center, 1212 Amsterdam Avenue, MC 2406, New York, New York 10027, USA. 2D 3D TSV
17568739 8 Exploitation of structural and regulatory diversity in glutamate racemases.EBI Nature 447: 817-822 (2007) AstraZeneca Global Structural Chemistry 2D 3D TSV
17567585 28 X-ray structural analysis of Plasmodium falciparum enoyl acyl carrier protein reductase as a pathway toward the optimization of triclosan antimalarial efficacy.BDB J Biol Chem 282: 25436-44 (2007) Jacobus Pharmaceutical Company 2D 3D TSV
17567119 7 Structural insight into the pharmacophore pocket of human glutamate carboxypeptidase II.BDB J Med Chem 50: 3267-73 (2007) NCI-FCRDC 2D 3D TSV
17566736 60 Design, synthesis, and biological evaluation of pyrazinones containing novel P1 needles as inhibitors of TF/VIIa.EBI Bioorg Med Chem Lett 17: 4568-74 (2007) Pfizer Global Research and Development 2D 3D TSV
17566735 3 Synthesis of symmetrical C- and pseudo-symmetrical O-linked disaccharide analogs for arabinosyltransferase inhibitory activity in Mycobacterium tuberculosis.EBI Bioorg Med Chem Lett 17: 4527-30 (2007) Southern Research Institute 2D 3D TSV
17566101 1 Reversine increases the plasticity of lineage-committed mammalian cells.EBI Proc Natl Acad Sci U S A 104: 10482-7 (2007) The Scripps Research Institute 2D 3D TSV
17564423 24 P2Y1 antagonists: combining receptor-based modeling and QSAR for a quantitative prediction of the biological activity based on consensus scoring.EBI J Med Chem 50: 3229-41 (2007) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
17562796 2 2-tert-butyl-8-quinolinamines exhibit potent blood schizontocidal antimalarial activity via inhibition of heme crystallization.EBI Antimicrob Agents Chemother 51: 2842-7 (2007) Kyoto Institute of Technology 2D 3D TSV
17562705 6 Inhibition of mammalian target of rapamycin signaling by 2-(morpholin-1-yl)pyrimido[2,1-alpha]isoquinolin-4-one.EBI J Biol Chem 282: 24463-70 (2007) Stony Brook University 2D 3D TSV
17562367 10 Synthesis and biological evaluation of cyclic and branched peptide analogues as ligands for cholecystokinin type 1 receptor.EBI Bioorg Med Chem 15: 5845-53 (2007) Istituto di Biostrutture e Bioimmagini CNR 2D 3D TSV
17562364 150 Discovery of 3-aminopiperidines as potent, selective, and orally bioavailable dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 17: 4579-83 (2007) Merck Research Laboratories 2D 3D TSV
17562362 29 N-(6,7-dichloro-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-5-yl)-N-alkylsulfonamides as peripherally restricted N-methyl-D-aspartate receptor antagonists for the treatment of pain.EBI Bioorg Med Chem Lett 17: 4599-603 (2007) Pfizer Global Research and Development 2D 3D TSV
17562349 66 A chemometric study of the 5-HT(1A) receptor affinities presented by arylpiperazine compounds.EBI Eur J Med Chem 43: 364-72 (2008) Universidade de S£o Paulo 2D 3D TSV
17561406 67 Design, synthesis, binding, and molecular modeling studies of new potent ligands of cannabinoid receptors.EBI Bioorg Med Chem 15: 5406-16 (2007) Universit£ degli Studi di Siena 2D 3D TSV
17561404 59 Selection, synthesis, and structure-activity relationship of tetrahydropyrido[4,3-d]pyrimidine-2,4-diones as human GnRH receptor antagonists.EBI Bioorg Med Chem 15: 5590-603 (2007) Neurocrine Biosciences 2D 3D TSV
17560788 15 Discovery of pyrrole-based hepatoselective ligands as potent inhibitors of HMG-CoA reductase.BDB Bioorg Med Chem 15: 5576-89 (2007) Pfizer 2D 3D TSV
17560785 12 Design of a partial PPARdelta agonist.EBI Bioorg Med Chem Lett 17: 4625-9 (2007) Novo Nordisk A/S 2D 3D TSV
17560111 32 Design, synthesis, and biological evaluation of LNA nucleosides as adenosine A3 receptor ligands.EBI Bioorg Med Chem 15: 5440-7 (2007) Santaris Pharma A/S 2D 3D TSV
17560109 12 Synthesis and pharmacological testing of polyaminoquinolines as blockers of the apamin-sensitive Ca2+-activated K+ channel (SK(Ca)).EBI Bioorg Med Chem 15: 5457-79 (2007) University College London 2D 3D TSV
17560108 5 New modifications to the area of pyrazole-naphthyl urea based p38 MAP kinase inhibitors that bind to the adenine/ATP site.EBI Bioorg Med Chem Lett 17: 4242-7 (2007) Boehringer Ingelheim Pharmaceutical 2D 3D TSV
17560106 1 Synthesis of 4-phenoxybenzamide adenine dinucleotide as NAD analogue with inhibitory activity against enoyl-ACP reductase (InhA) of Mycobacterium tuberculosis.EBI Bioorg Med Chem Lett 17: 4588-91 (2007) University of Minnesota 2D 3D TSV
17560105 6 Bicyclo[2.2.2]octanes: close structural mimics of the nuclear receptor-binding motif of steroid receptor coactivators.EBI Bioorg Med Chem Lett 17: 4118-22 (2007) University of Illinois 2D 3D TSV
17560104 1 Human serum albumin binding assay based on displacement of a non selective fluorescent inhibitor.EBI Bioorg Med Chem Lett 17: 4646-9 (2007) Pharmacia Corporation 2D 3D TSV
17559206 22 New sst4/5-selective somatostatin peptidomimetics based on a constrained tryptophan scaffold.EBI J Med Chem 50: 3397-401 (2007) Vrije Universiteit Brussel 2D 3D TSV
17559203 161 Structure-activity relationships of alpha-ketooxazole inhibitors of fatty acid amide hydrolase.BDB J Med Chem 50: 3359-68 (2007) The Scripps Research Institute 2D 3D TSV
17557328 5 NAD+-dependent DNA ligase (Rv3014c) from Mycobacterium tuberculosis: novel structure-function relationship and identification of a specific inhibitor.BDB Proteins 69: 97-111 (2007) India Central Drug Research Institute 2D 3D TSV
17556356 4 Crystal structure of human estrogen-related receptor alpha in complex with a synthetic inverse agonist reveals its novel molecular mechanism.BDB J Biol Chem 282: 23231-9 (2007) Novartis 2D 3D TSV
17555962 26 Design of novel histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 17: 4619-24 (2007) Merck Research Laboratories 2D 3D TSV
17555959 27 Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors.EBI Bioorg Med Chem Lett 17: 4683-8 (2007) Daiichi Pharmaceutical Co., Ltd 2D 3D TSV
17555308 30 Discovery of a new nucleoside template for human A3 adenosine receptor ligands: D-4'-thioadenosine derivatives without 4'-hydroxymethyl group as highly potent and selective antagonists.EBI J Med Chem 50: 3159-62 (2007) Ewha Womans University 2D 3D TSV
17553798 90 Structural variation governs substrate specificity for organic anion transporter (OAT) homologs. Potential remote sensing by OAT family members.EBI J Biol Chem 282: 23841-53 (2007) University of California 2D 3D TSV
17553682 33 3D-QSAR studies on sildenafil analogues, selective phosphodiesterase 5 inhibitors.EBI Bioorg Med Chem Lett 17: 4271-4 (2007) Sungkyunkwan University 2D 3D TSV
17553681 50 Novel selective PPARdelta agonists: optimization of activity by modification of alkynylallylic moiety.EBI Bioorg Med Chem Lett 17: 4144-9 (2007) RE&D VUFB, s.r.o. 2D 3D TSV
17553679 148 5(Z)-benzylidene-1,2-dihydro-9-hydroxy-10-methoxy-2,2,4-trimethyl-5H-1-aza-6-oxa-chrysenes as non-steroidal glucocorticoid receptor modulators.EBI Bioorg Med Chem Lett 17: 4158-62 (2007) Ligand Pharmaceuticals 2D 3D TSV
17553678 97 Design and synthesis of highly potent and selective human peroxisome proliferator-activated receptor alpha agonists.EBI Bioorg Med Chem Lett 17: 4689-93 (2007) Kowa Co. 2D 3D TSV
17552510 9 Structure-based design of flavonoid compounds as a new class of small-molecule inhibitors of the anti-apoptotic Bcl-2 proteins.EBI J Med Chem 50: 3163-6 (2007) University of Michigan 2D 3D TSV
17552509 17 Discovery of Potent and Muscle Selective Androgen Receptor Modulators through Scaffold Modifications.BDB J Med Chem 50: 3015-3025 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17552508 128 Design and Synthesis of Classical and Nonclassical 6-Arylthio-2,4-diamino-5-ethylpyrrolo[2,3-d]pyrimidines as Antifolates.BDB J Med Chem 50: 3046-3053 (2007) Duquesne University 2D 3D TSV
17552507 21 Synthesis and biological evaluation of 4(5)-(6-alkylpyridin-2-yl)imidazoles as transforming growth factor-beta type 1 receptor kinase inhibitors.EBI J Med Chem 50: 3143-7 (2007) Ewha Womans University 2D 3D TSV
17552505 5 Bidirectional, iterative approach to the structural delineation of the functional"chemoprint" in GPR40 for agonist recognition.EBI J Med Chem 50: 2981-9 (2007) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
17548197 3 4-Amino-5-vinyl-3(2H)-pyridazinones and analogues as potent antinociceptive agents: Synthesis, SARs, and preliminary studies on the mechanism of action.EBI Bioorg Med Chem 15: 5563-75 (2007) Dipartimento di Scienze Farmaceutiche 2D 3D TSV
17545669 5 Activation of inhibitors by sortase triggers irreversible modification of the active site.EBI J Biol Chem 282: 23129-39 (2007) University of Chicago 2D 3D TSV
17544668 55 Synthesis, SAR, and X-ray structure of novel potent DPPIV inhibitors: oxadiazolyl ketones.EBI Bioorg Med Chem Lett 17: 4167-72 (2007) LG Life Sciences, Ltd 2D 3D TSV
17544667 10 Synthesis and biological evaluation of 9-deazaguanine derivatives connected by a linker to difluoromethylene phosphonic acid as multi-substrate analogue inhibitors of PNP.EBI Bioorg Med Chem Lett 17: 4173-7 (2007) Tokyo University of Pharmacy and Life Sciences 2D 3D TSV
17544282 39 Pyrrolidinones as orally bioavailable antagonists of the human melanocortin-4 receptor with anti-cachectic activity.EBI Bioorg Med Chem 15: 5166-76 (2007) Neurocrine Biosciences Inc 2D 3D TSV
17544280 50 Synthesis, 3D-QSAR, and docking studies of 1-phenyl-1H-1,2,3-triazoles as selective antagonists for beta3 over alpha1beta2gamma2 GABA receptors.EBI Bioorg Med Chem 15: 5090-104 (2007) Shimane University 2D 3D TSV
17544277 29 Targeting cytochrome P450 enzymes: a new approach in anti-cancer drug development.EBI Bioorg Med Chem 15: 5047-60 (2007) University of Maryland 2D 3D TSV
17544272 34 Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 2: optimization of BX-517.BDB Bioorg Med Chem Lett 17: 3819-25 (2007) Berlex Biosciences 2D 3D TSV
17544271 49 Synthesis and biological evaluation of 4'-(6,7-disubstituted-2,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-biphenyl-4-ol as potent Chk1 inhibitors.EBI Bioorg Med Chem Lett 17: 4308-15 (2007) Abbott Laboratories 2D 3D TSV
17544269 30 Primary amides as selective inhibitors of cathepsin K.EBI Bioorg Med Chem Lett 17: 4328-32 (2007) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
17543532 46 5-Arylidene-2,4-thiazolidinediones as inhibitors of protein tyrosine phosphatases.EBI Bioorg Med Chem 15: 5137-49 (2007) Universit£ di Messina 2D 3D TSV
17543524 30 Thyroid receptor ligands. Part 8: Thyromimetics derived from N-acylated-alpha-amino acid derivatives displaying modulated pharmacological selectivity compared with KB-141.BDB Bioorg Med Chem Lett 17: 4131-4 (2007) Karo Bio AB 2D 3D TSV
17543523 17 R-(-)-N-alkyl-11-hydroxy-10-hydroxymethyl- and 10-methyl-aporphines as 5-HT1A receptor ligands.EBI Bioorg Med Chem Lett 17: 4128-30 (2007) Harvard Medical School 2D 3D TSV
17540562 100 Synthesis and structure-activity relationship of imidazo(1,2-a)thieno(3,2-e)pyrazines as IKK-beta inhibitors.BDB Bioorg Med Chem Lett 17: 4284-9 (2007) Bristol-Myers Squibb Company 2D 3D TSV
17540560 39 Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.EBI Bioorg Med Chem Lett 17: 4191-5 (2007) Polaris Pharmaceuticals Inc. 2D 3D TSV
17539825 74 1H-1,2,4-triazol-3-yl-anilines: novel potent inhibitors of vascular endothelial growth factor receptors 1 and 2.BDB Chem Biol Drug Des 69: 331-7 (2007) ChemDiv Inc. 2D 3D TSV
17539822 13 Design of mutation-resistant HIV protease inhibitors with the substrate envelope hypothesis.BDB Chem Biol Drug Des 69: 298-313 (2007) University of Maryland 2D 3D TSV
17539623 65 Functional differences in epigenetic modulators-superiority of mercaptoacetamide-based histone deacetylase inhibitors relative to hydroxamates in cortical neuron neuroprotection studies.EBI J Med Chem 50: 3054-61 (2007) University of Illinois at Chicago 2D 3D TSV
17539621 17 Synthesis of Stable and Potent delta/mu Opioid Peptides: Analogues of H-Tyr-c[d-Cys-Gly-Phe-d-Cys]-OH by Ring-Closing Metathesis.BDB J Med Chem 50: 3138-3142 (2007) Universita degli Studi 2D 3D TSV
17539620 13 Novel ergopeptides as dual ligands for adenosine and dopamine receptors.EBI J Med Chem 50: 3062-9 (2007) Institut d'Investigacions Biomèdiques August Pi i 2D 3D TSV
17537919 1 Proline-rich tyrosine kinase 2 regulates osteoprogenitor cells and bone formation, and offers an anabolic treatment approach for osteoporosis.EBI Proc Natl Acad Sci USA 104: 10619-24 (2007) Pfizer Inc. 2D 3D TSV
17537721 289 Targeting host cell furin proprotein convertases as a therapeutic strategy against bacterial toxins and viral pathogens.EBI J Biol Chem 282: 20847-53 (2007) Institute for Medical Research 2D 3D TSV
17536859 12 Isolation of glycosidase-inhibiting hyacinthacines and related alkaloids from Scilla socialis.EBI J Nat Prod 70: 993-7 (2007) University of Toyama 2D 3D TSV
17536796 106 Optimization of 1,3,4-benzotriazepine-based CCK(2) antagonists to obtain potent, orally active inhibitors of gastrin-mediated gastric acid secretion.EBI J Med Chem 50: 3101-12 (2007) James Black Foundation 2D 3D TSV
17536795 118 Thiophene-anthranilamides as highly potent and orally available factor xa inhibitorsBDB J Med Chem 50: 2967-80 (2007) Berlex Biosciences 2D 3D TSV
17536794 29 Fluorescently labeled analogues of dofetilide as high-affinity fluorescence polarization ligands for the human ether-a-go-go-related gene (hERG) channel.EBI J Med Chem 50: 2931-41 (2007) Pfizer Global Research and Development 2D 3D TSV
17535916 16 Small-molecule activators of RNase L with broad-spectrum antiviral activity.EBI Proc Natl Acad Sci USA 104: 9585-90 (2007) Lerner Research Institute 2D 3D TSV
17535895 32 Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases.EBI Proc Natl Acad Sci USA 104: 10022-7 (2007) Institute of Biological Chemistry 2D 3D TSV
17535802 91 Inhibition of the activation of multiple serine proteases with a cathepsin C inhibitor requires sustained exposure to prevent pro-enzyme processing.EBI J Biol Chem 282: 20836-46 (2007) Merck Research Laboratories 2D 3D TSV
17533127 41 Potent macrocyclic antagonists to the motilin receptor presenting novel unnatural amino acids.EBI Bioorg Med Chem Lett 17: 4187-90 (2007) Tranzyme Pharma Inc. 2D 3D TSV
17533126 78 Arylpropanolamines: selective beta3 agonists arising from strategies to mitigate phase I metabolic transformations.EBI Bioorg Med Chem Lett 17: 4290-6 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17533125 36 Co-crystal structure guided array synthesis of PPARgamma inverse agonists.EBI Bioorg Med Chem Lett 17: 3916-20 (2007) GlaxoSmithKline 2D 3D TSV
17532641 57 Design, synthesis, and evaluation of potent, structurally novel peroxisome proliferator-activated receptor (PPAR) delta-selective agonists.EBI Bioorg Med Chem 15: 5177-90 (2007) University of Tokyo 2D 3D TSV
17532633 29 Pyrazolone methylamino piperidine derivatives as novel CCR3 antagonists.EBI Bioorg Med Chem Lett 17: 4228-31 (2007) UCB Pharma SA 2D 3D TSV
17532631 105 Synthesis and evaluation of pyrazolo[3,4-b]pyridine CDK1 inhibitors as anti-tumor agents.EBI Bioorg Med Chem Lett 17: 4297-302 (2007) Johnson & Johnson Pharmaceutical Research & Development L.L.C. 2D 3D TSV
17532544 10 Synthesis and biological evaluation of some thiazolyl and thiadiazolyl derivatives of 1H-pyrazole as anti-inflammatory antimicrobial agents.EBI Eur J Med Chem 43: 456-63 (2008) University of Alexandria 2D 3D TSV
17532216 42 Rapid hit to lead evaluation of pyrazolo[3,4-d]pyrimidin-4-one as selective and orally bioavailable mGluR1 antagonists.EBI Bioorg Med Chem Lett 17: 4303-7 (2007) Abbott Laboratories 2D 3D TSV
17532215 62 Discovery of cyclopentane- and cyclohexane-trans-1,3-diamines as potent melanin-concentrating hormone receptor 1 antagonists.EBI Bioorg Med Chem Lett 17: 4232-41 (2007) AstraZeneca R&D Mölndal 2D 3D TSV
17532214 30 C-8 Modifications of 3-alkyl-1,8-dibenzylxanthines as inhibitors of human cytosolic phosphoenolpyruvate carboxykinase.EBI Bioorg Med Chem Lett 17: 3835-9 (2007) Roche Research Center 2D 3D TSV
17532099 30 Synthesis of N-(5,7-diamino-3-phenyl-quinoxalin-2-yl)-3,4,5-substituted anilines and N-[4[(5,7-diamino-3-phenylquinoxalin-2-yl)amino]benzoyl]-l-glutamic acid diethyl ester: evaluation of in vitro anti-cancer and anti-folate activities.EBI Eur J Med Chem 43: 189-203 (2008) Università degli Studi di Sassari 2D 3D TSV
17531488 44 Discovery of novel prostaglandin analogs of PGE2 as potent and selective EP2 and EP4 receptor agonists.EBI Bioorg Med Chem Lett 17: 4323-7 (2007) EMD Serono Research Institute 2D 3D TSV
17531483 39 Indolinone based phosphoinositide-dependent kinase-1 (PDK1) inhibitors. Part 1: design, synthesis and biological activity.BDB Bioorg Med Chem Lett 17: 3814-8 (2007) Berlex Biosciences 2D 3D TSV
17531482 67 Design and synthesis of 3,3-piperidine hydroxamate analogs as selective TACE inhibitors.EBI Bioorg Med Chem Lett 17: 4333-7 (2007) Wyeth Research 2D 3D TSV
17531481 10 Structure-activity studies of phenanthroindolizidine alkaloids as potential antitumor agents.EBI Bioorg Med Chem Lett 17: 4338-42 (2007) Yale University 2D 3D TSV
17531480 51 2-Cycloalkyl phenoxyacetic acid CRTh2 receptor antagonists.EBI Bioorg Med Chem Lett 17: 4347-50 (2007) Novartis Institutes of Biomedical Research 2D 3D TSV
17531479 65 2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 2: orally bioavailable compounds.EBI Bioorg Med Chem Lett 17: 3925-9 (2007) Shionogi & Co. Ltd 2D 3D TSV
17530838 50 Discovery of potent, selective, orally bioavailable stearoyl-CoA desaturase 1 inhibitors.EBI J Med Chem 50: 3086-100 (2007) Abbott Laboratories 2D 3D TSV
17526755 2 Deoxyribonucleoside kinases activate nucleoside antibiotics in severely pathogenic bacteria.EBI Antimicrob Agents Chemother 51: 2726-32 (2007) University of Copenhagen 2D 3D TSV
17526494 12 Alternative chemical modifications reverse the binding orientation of a pharmacophore scaffold in the active site of macrophage migration inhibitory factor.EBI J Biol Chem 282: 23089-95 (2007) Yale University 2D 3D TSV
17524982 10 Alkyl-CoA disulfides as inhibitors and mechanistic probes for FabH enzymes.BDB Chem Biol 14: 513-24 (2007) Portland State University 2D 3D TSV
17524652 84 QSAR study of selective ligands for the thyroid hormone receptor beta.EBI Bioorg Med Chem 15: 5251-61 (2007) University of Insubria 2D 3D TSV
17524643 14 Phenylpropanoic acid derivatives bearing a benzothiazole ring as PPARdelta-selective agonists.EBI Bioorg Med Chem Lett 17: 4351-7 (2007) Nagoya City University 2D 3D TSV
17524641 69 3-Arylamino-2H-1,2,4-benzothiadiazin-5-ol 1,1-dioxides as novel and selective CXCR2 antagonists.EBI Bioorg Med Chem Lett 17: 3864-7 (2007) GlaxoSmithKline 2D 3D TSV
17524640 21 Synthesis and biological evaluation of L-cysteine derivatives as mitotic kinesin Eg5 inhibitors.EBI Bioorg Med Chem Lett 17: 3921-4 (2007) University of Shizuoka 2D 3D TSV
17524639 73 Discovery of para-alkylthiophenoxyacetic acids as a novel series of potent and selective PPARdelta agonists.EBI Bioorg Med Chem Lett 17: 3855-9 (2007) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
17523610 73 Syntheses of potent, selective, and orally bioavailable indazole-pyridine series of protein kinase b/akt inhibitors with reduced hypotension.BDB J Med Chem 50: 2990-3003 (2007) Abbott Laboratories 2D 3D TSV
17521912 15 The biology and chemistry of hyperlipidemia.EBI Bioorg Med Chem 15: 4674-99 (2007) Sinhgad College of Pharmacy 2D 3D TSV
17521909 15 Human and rat monoamine oxidase-A are differentially inhibited by (S)-4-alkylthioamphetamine derivatives: insights from molecular modeling studies.EBI Bioorg Med Chem 15: 5198-206 (2007) University of Santiago de Chile 2D 3D TSV
17521908 66 Identification of 2-(4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-3-yl)-ethylamine derivatives as novel GnRH receptor antagonists.EBI Bioorg Med Chem Lett 17: 3845-50 (2007) Neurocrine Biosciences, Inc. 2D 3D TSV
17521907 50 2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 1: discovery of CB2 receptor selective compounds.EBI Bioorg Med Chem Lett 17: 4030-4 (2007) Shionogi & Co., Ltd. 2D 3D TSV
17521177 90 The application of 3D-QSAR studies for novel cannabinoid ligands substituted at the C1' position of the alkyl side chain on the structural requirements for binding to cannabinoid receptors CB1 and CB2.EBI J Med Chem 50: 2875-85 (2007) The National Hellenic Research Foundation 2D 3D TSV
17518352 6 The inhibitory effect of some new synthesized xanthates on mushroom tyrosinase activities.BDB J Enzyme Inhib Med Chem 22: 239-46 (2007) University of Tehran 2D 3D TSV
17517514 63 7-Arylpiperazinylalkyl and 7-tetrahydroisoquinolinylalkyl derivatives of 8-alkoxy-purine-2,6-dione and some of their purine-2,6,8-trione analogs as 5-HT(1A), 5-HT(2A), and 5-HT(7) serotonin receptor ligands.EBI Bioorg Med Chem 15: 5239-50 (2007) Jagiellonian University Medical College 2D 3D TSV
17517512 33 Synthesis and biological activity of new anti-inflammatory compounds containing the 1,4-benzodioxine and/or pyrrole system.EBI Bioorg Med Chem 15: 4876-90 (2007) Universitat de Barcelona 2D 3D TSV
17517511 4 QSAR studies and pharmacophore identification for arylsubstituted cycloalkenecarboxylic acid methyl esters with affinity for the human dopamine transporter.EBI Bioorg Med Chem 15: 5262-74 (2007) University of Aarhus 2D 3D TSV
17517510 24 Synthesis and evaluation of homo-bivalent GnRHR ligands.EBI Bioorg Med Chem 15: 4841-56 (2007) Leiden University 2D 3D TSV
17517509 21 Bivalent ligand approach on 4-[2-(3-methoxyphenyl)ethyl]-1-(2-methoxyphenyl)piperazine: synthesis and binding affinities for 5-HT(7) and 5-HT(1A) receptors.EBI Bioorg Med Chem 15: 5316-21 (2007) Università degli Studi di Bari 2D 3D TSV
17517507 131 (Phenylpiperidinyl)cyclohexylsulfonamides: development of alpha1a/1d-selective adrenergic receptor antagonists for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS).EBI Bioorg Med Chem Lett 17: 3930-4 (2007) Johnson & Johnson Pharmaceutical Research and Development L.L.C. 2D 3D TSV
17517506 14 Synthesis and biological evaluation of (R)-N-(diarylmethylthio/sulfinyl)ethyl/propyl-piperidine-3-carboxylic acid hydrochlorides as novel GABA uptake inhibitors.EBI Bioorg Med Chem Lett 17: 3769-73 (2007) Zhengzhou University 2D 3D TSV
17517504 6 Inhibitory effect of 2-arylbenzofurans from Erythrina addisoniae on protein tyrosine phosphatase-1B.EBI Bioorg Med Chem Lett 17: 3868-71 (2007) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
17516639 29 Design, synthesis, and biological evaluation of novel bifunctional C-terminal-modified peptides for delta/mu opioid receptor agonists and neurokinin-1 receptor antagonists.BDB J Med Chem 50: 2779-86 (2007) University of Arizona at Tucson 2D 3D TSV
17513302 2 Crystal structures of Saccharomyces cerevisiae N-myristoyltransferase with bound myristoyl-CoA and inhibitors reveal the functional roles of the N-terminal region.EBI J Biol Chem 282: 22185-94 (2007) Chinese Academy of Sciences 2D 3D TSV
17513110 2 Design and synthesis of a new, conformationally constrained, macrocyclic small-molecule inhibitor of STAT3 via 'click chemistry'.BDB Bioorg Med Chem Lett 17: 3939-42 (2007) University of Michigan 2D 3D TSV
17513109 32 Discovery of pyrazine carboxamide CB1 antagonists: the introduction of a hydroxyl group improves the pharmaceutical properties and in vivo efficacy of the series.EBI Bioorg Med Chem Lett 17: 3978-82 (2007) Pharmaceutical Research Institute 2D 3D TSV
17513107 2 Design, synthesis, and binding studies of bidentate Zn-chelating peptidic inhibitors of glyoxalase-I.EBI Bioorg Med Chem Lett 17: 3793-7 (2007) University of Minnesota 2D 3D TSV
17512966 4 Structure-based discovery of a new class of Bcl-xL antagonists.BDB Bioorg Chem 35: 344-53 (2007) Burnham Institute for Medical Research 2D 3D TSV
17512742 32 Simultaneous presence of unsaturation and long alkyl chain at P'1 of Ilomastat confers selectivity for gelatinase A (MMP-2) over gelatinase B (MMP-9) inhibition as shown by molecular modelling studies.EBI Bioorg Med Chem 15: 4753-66 (2007) Université de Reims-Champagne-Ardenne 2D 3D TSV
17512730 95 4-Phenyl-4-[1H-imidazol-2-yl]-piperidine derivatives as non-peptidic selective delta-opioid agonists with potential anxiolytic/antidepressant properties. Part 2.EBI Bioorg Med Chem Lett 17: 3860-3 (2007) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
17512199 110 SAR of the arylpiperazine moiety of obeline somatostatin sst1 receptor antagonists.EBI Bioorg Med Chem Lett 17: 3988-91 (2007) Novartis Institutes for BioMedical Research 2D 3D TSV
17512197 101 Synthesis and SAR of selective benzothiophene, benzofuran, and indole-based peroxisome proliferator-activated receptor delta agonists.EBI Bioorg Med Chem Lett 17: 3630-5 (2007) Pfizer Global Research and Development 2D 3D TSV
17512196 8 Evaluation of in vitro aldose redutase inhibitory activity of 5-arylidene-2,4-thiazolidinediones.EBI Bioorg Med Chem Lett 17: 3886-93 (2007) Universit£ di Messina 2D 3D TSV
17511439 24 Synthesis and biological evaluation of (+/-)-abyssinone II and its analogues as aromatase inhibitors for chemoprevention of breast cancer.EBI J Med Chem 50: 2799-806 (2007) Purdue University 2D 3D TSV
17509888 12 O2-acetoxymethyl-protected diazeniumdiolate-based NSAIDs (NONO-NSAIDs): synthesis, nitric oxide release, and biological evaluation studies.EBI Bioorg Med Chem 15: 4767-74 (2007) National Cancer Institute at Frederick 2D 3D TSV
17509878 6 New syntheses of tetrazolylmethylphenylalanine and O-malonyltyrosine as pTyr mimetics for the design of STAT3 dimerization inhibitors.EBI Bioorg Med Chem Lett 17: 3943-6 (2007) Université Paris Descartes 2D 3D TSV
17507225 34 Design, synthesis, and structure-activity relationship of carbamate-tethered aryl propanoic acids as novel PPARalpha/gamma dual agonists.EBI Bioorg Med Chem Lett 17: 3595-8 (2007) Seoul National University 2D 3D TSV
17507224 82 Biaryl cannabinoid mimetics--synthesis and structure-activity relationship.EBI Bioorg Med Chem Lett 17: 3652-6 (2007) Adolor Corporation 2D 3D TSV
17507221 58 Identification and SAR of potent and selective non-peptide obeline somatostatin sst1 receptor antagonists.EBI Bioorg Med Chem Lett 17: 3983-7 (2007) Novartis Institutes for BioMedical Research 2D 3D TSV
17507219 17 Aminosuberoyl hydroxamic acids (ASHAs): a potent new class of HDAC inhibitors.EBI Bioorg Med Chem Lett 17: 3969-71 (2007) Merck Research Laboratories 2D 3D TSV
17507218 28 Alpha-methylation at benzylic fragment of N-aryl-N'-benzyl ureas provides TRPV1 antagonists with better pharmacokinetic properties and higher efficacy in inflammatory pain model.BDB Bioorg Med Chem Lett 17: 3894-9 (2007) Abbott Laboratories 2D 3D TSV
17506540 52 Comparative molecular field analysis of the binding of the stereoisomers of fenoterol and fenoterol derivatives to the beta2 adrenergic receptor.EBI J Med Chem 50: 2903-15 (2007) Medical University of Lublin 2D 3D TSV
17506538 27 Synthesis and biological studies of novel 2-aminoalkylethers as potential antiarrhythmic agents for the conversion of atrial fibrillation.EBI J Med Chem 50: 2818-41 (2007) Cardiome Pharma Corporation 2D 3D TSV
17503851 2 Fawcettimine-related alkaloids from Lycopodium serratum.EBI J Nat Prod 70: 1024-8 (2007) Chiba University 2D 3D TSV
17502145 18 Inhibition of IGF-1R and lipoxygenase by nordihydroguaiaretic acid (NDGA) analogs.EBI Bioorg Med Chem Lett 17: 4026-9 (2007) San Francisco State University 2D 3D TSV
17502144 89 The discovery of 2-amino-3,5-diarylbenzamide inhibitors of IKK-alpha and IKK-beta kinases.BDB Bioorg Med Chem Lett 17: 3972-7 (2007) GSK 2D 3D TSV
17502141 25 Modeling assisted rational design of novel, potent, and selective pyrrolopyrimidine DPP-4 inhibitors.EBI Bioorg Med Chem Lett 17: 3877-9 (2007) Merck Research Laboratories 2D 3D TSV
17502136 66 Potent and selective biphenyl azole inhibitors of adipocyte fatty acid binding protein (aFABP).EBI Bioorg Med Chem Lett 17: 3511-5 (2007) Bristol Myers-Squibb Pharmaceutical Research Institute 2D 3D TSV
17502122 7 Synthesis, in vitro antiproliferative activities, and Chk1 inhibitory properties of pyrrolo[3,4-a]carbazole-1,3-diones, pyrrolo[3,4-c]carbazole-1,3-diones, and 2-aminopyridazino[3,4-a]pyrrolo[3,4-c]carbazole-1,3,4,7-tetraone.EBI Eur J Med Chem 43: 282-92 (2008) Université Blaise Pascal 2D 3D TSV
17500511 19 Synthesis and biological evaluation of 3-aryl-3-(4-phenoxy)-propionic acid as a novel series of G protein-coupled receptor 40 agonists.BDB J Med Chem 50: 2807-17 (2007) Johnson & Johnson Pharmaceutical 2D 3D TSV
17499511 46 N9-benzyl-substituted 1,3-dimethyl- and 1,3-dipropyl-pyrimido[2,1-f]purinediones: synthesis and structure-activity relationships at adenosine A1 and A2A receptors.EBI Bioorg Med Chem 15: 5003-17 (2007) Jagiellonian University 2D 3D TSV
17499505 78 Hit-to-lead studies on benzimidazole inhibitors of ITK: discovery of a novel class of kinase inhibitors.EBI Bioorg Med Chem Lett 17: 3660-5 (2007) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
17499504 5 Synthesis and RET protein kinase inhibitory activity of 3-arylureidobenzylidene-indolin-2-ones.EBI Bioorg Med Chem Lett 17: 3962-8 (2007) Università di Milano 2D 3D TSV
17498954 33 Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors.BDB Bioorg Med Chem Lett 17: 3562-9 (2007) Kalypsys, Inc. 2D 3D TSV
17498953 17 A new class of histamine H3 receptor antagonists derived from ligand based design.EBI Bioorg Med Chem Lett 17: 3670-5 (2007) F. Hoffmann-La Roche Ltd 2D 3D TSV
17498952 4 The discovery of long acting beta2-adrenoreceptor agonists.EBI Bioorg Med Chem Lett 17: 4012-5 (2007) Pfizer Global Research and Development 2D 3D TSV
17498950 69 Discovery of highly potent and selective benzyloxybenzyl-based peroxisome proliferator-activator receptor (PPAR) delta agonists.EBI Bioorg Med Chem Lett 17: 3624-9 (2007) Pfizer Global Research and Development 2D 3D TSV
17498949 4 Liver X receptor antagonists with a phthalimide skeleton derived from thalidomide-related glucosidase inhibitors.EBI Bioorg Med Chem Lett 17: 3957-61 (2007) University of Tokyo 2D 3D TSV
17498948 24 Cyclic benzamidines as orally efficacious NR2B-selective NMDA receptor antagonists.EBI Bioorg Med Chem Lett 17: 3997-4000 (2007) Merck Research Laboratories 2D 3D TSV
17497842 54 Exploring the structure-activity relationship of the ethylamine portion of 3-iodothyronamine for rat and mouse trace amine-associated receptor 1.EBI J Med Chem 50: 2787-98 (2007) University of California at San Francisco 2D 3D TSV
17497839 72 Bifunctional [2',6'-dimethyl-L-tyrosine1]endomorphin-2 analogues substituted at position 3 with alkylated phenylalanine derivatives yield potent mixed mu-agonist/delta-antagonist and dual mu-agonist/delta-agonist opioid ligands.EBI J Med Chem 50: 2753-66 (2007) Kobe Gakuin University 2D 3D TSV
17497806 1 Self-assembling cannabinomimetics: supramolecular structures of N-alkyl amides.EBI J Nat Prod 70: 1010-5 (2007) Department of Chemistry and Applied Biosciences 2D 3D TSV
17496888 3 Diarylquinolines target subunit c of mycobacterial ATP synthase.EBI Nat Chem Biol 3: 323-4 (2007) Tibotec BVBA 2D 3D TSV
17493937 4 NHE1 inhibition by amiloride- and benzoylguanidine-type compounds. Inhibitor binding loci deduced from chimeras of NHE1 homologues with endogenous differences in inhibitor sensitivity.EBI J Biol Chem 282: 19716-27 (2007) University of California 2D 3D TSV
17491006 1 Structures of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase provide new insights into catalysis.EBI J Biol Chem 282: 19905-16 (2007) Uppsala University 2D 3D TSV
17490886 7 Synthesis and biological activity of nociceptin/orphanin FQ analogues substituted in position 7 or 11 with Calpha,alpha-dialkylated amino acids.EBI Bioorg Med Chem 15: 4434-43 (2007) University of Ferrara 2D 3D TSV
17490884 39 beta-Keto sulfones as inhibitors of 11beta-hydroxysteroid dehydrogenase type I and the mechanism of action.EBI Bioorg Med Chem 15: 4396-405 (2007) Wyeth Research 2D 3D TSV
17490879 38 1,4-Dihydroindeno[1,2-c]pyrazoles as potent checkpoint kinase 1 inhibitors: extended exploration on phenyl ring substitutions and preliminary ADME/PK studies.EBI Bioorg Med Chem Lett 17: 3618-23 (2007) Abbott Laboratories 2D 3D TSV
17490877 30 Himbacine derived thrombin receptor antagonists: discovery of a new tricyclic core.EBI Bioorg Med Chem Lett 17: 3647-51 (2007) Schering-Plough Research Institute 2D 3D TSV
17490876 2 Evaluation of 4'-substituted bicyclic pyridones as non-steroidal inhibitors of steroid 5alpha-reductase.EBI Bioorg Med Chem Lett 17: 3603-7 (2007) University of Canterbury 2D 3D TSV
17490875 24 Dihydro-[1H]-quinolin-2-ones as retinoid X receptor (RXR) agonists for potential treatment of dyslipidemia.EBI Bioorg Med Chem Lett 17: 3491-6 (2007) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
17489632 15 Isoprenylated flavonoids from the stem bark of Erythrina abyssinica.EBI J Nat Prod 70: 1039-42 (2007) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
17489582 20 Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity.BDB J Med Chem 50: 2682-92 (2007) University of Illinois at Chicago 2D 3D TSV
17489581 95 Synthesis and pharmacology of site-specific cocaine abuse treatment agents: restricted rotation analogues of methylphenidate.EBI J Med Chem 50: 2718-31 (2007) School of Chemistry and Biochemistry 2D 3D TSV
17489579 4 An adamantyl-substituted retinoid-derived molecule that inhibits cancer cell growth and angiogenesis by inducing apoptosis and binds to small heterodimer partner nuclear receptor: effects of modifying its carboxylate group on apoptosis, proliferation, and protein-tyrosine phosphatase activity.EBI J Med Chem 50: 2622-39 (2007) Burnham Institute for Medical Research 2D 3D TSV
17489575 7 Sodium channel blockers.EBI J Med Chem 50: 2583-8 (2007) Purdue Pharma L.P. 2D 3D TSV
17489573 16 Prospects for metabotropic glutamate 1 receptor antagonists in the treatment of neuropathic pain.EBI J Med Chem 50: 2563-8 (2007) Lilly Research Labs 2D 3D TSV
17489570 39 The potential of transient receptor potential vanilloid type 1 channel modulators for the treatment of pain.EBI J Med Chem 50: 2589-96 (2007) GlaxoSmithKline 2D 3D TSV
17488103 56 Synthesis and pharmacological evaluation of 6,7-indolo/thiazolo-morphinans--further SAR of levorphanol.EBI J Med Chem 50: 2747-51 (2007) Chinese Academy of Sciences 2D 3D TSV
17488003 32 Rationally designed high-affinity 2-amino-6-halopurine heat shock protein 90 inhibitors that exhibit potent antitumor activity.BDB J Med Chem 50: 2767-78 (2007) Biogen Idec 2D 3D TSV
17485508 1 Mass spectrometry-based systems approach for identification of inhibitors of Plasmodium falciparum fatty acid synthase.EBI Antimicrob Agents Chemother 51: 2552-8 (2007) Institute of Science 2D 3D TSV
17485504 4 Amiodarone and bepridil inhibit anthrax toxin entry into host cells.EBI Antimicrob Agents Chemother 51: 2403-11 (2007) University of California 2D 3D TSV
17485209 14 RXR-LXR heterodimer modulators for the potential treatment of dyslipidemia.EBI Bioorg Med Chem Lett 17: 3497-503 (2007) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
17485205 18 Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold.BDB Bioorg Med Chem Lett 17: 3570-4 (2007) Lilly Research Laboratories 2D 3D TSV
17483457 58 A-803467, a potent and selective Nav1.8 sodium channel blocker, attenuates neuropathic and inflammatory pain in the rat.EBI Proc Natl Acad Sci USA 104: 8520-5 (2007) Abbott Laboratories 2D 3D TSV
17482825 75 3D-QSAR studies on malonyl coenzyme A decarboxylase inhibitors.EBI Bioorg Med Chem 15: 4470-81 (2007) St. John's University 2D 3D TSV
17482819 36 Novel and potent 3-(2,3-dichlorophenyl)-4-(benzyl)-4H-1,2,4-triazole P2X7 antagonists.EBI Bioorg Med Chem Lett 17: 4044-8 (2007) Abbott Laboratories 2D 3D TSV
17482814 37 Design, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors.EBI Bioorg Med Chem Lett 17: 4057-61 (2007) Merck Research Laboratories 2D 3D TSV
17482813 42 ERbeta ligands. Part 6: 6H-Chromeno[4,3-b]quinolines as a new series of estrogen receptor beta-selective ligands.EBI Bioorg Med Chem Lett 17: 4053-6 (2007) Wyeth Research 2D 3D TSV
17482722 22 QSAR analysis of PPAR-gamma agonists as anti-diabetic agents.EBI Eur J Med Chem 43: 73-80 (2008) Central Drug Research Institute 2D 3D TSV
17482464 7 Discovery of 6-ethyl-2,4-diaminopyrimidine-based small molecule renin inhibitors.BDB Bioorg Med Chem Lett 17: 3575-80 (2007) Pfizer 2D 3D TSV
17482463 34 Structure-activity relationships of SERMs optimized for uterine antagonism and ovarian safety.EBI Bioorg Med Chem Lett 17: 3544-9 (2007) Lilly Research Laboratories 2D 3D TSV
17482462 60 3-Amino-1-alkyl-cyclopentane carboxamides as small molecule antagonists of the human and murine CC chemokine receptor 2.EBI Bioorg Med Chem Lett 17: 3636-41 (2007) Merck Research Laboratories 2D 3D TSV
17482459 17 Bradykinin B1 antagonists: biphenyl SAR studies in the cyclopropanecarboxamide series.EBI Bioorg Med Chem Lett 17: 3608-12 (2007) Merck 2D 3D TSV
17481905 15 Brucella suis histidinol dehydrogenase: synthesis and inhibition studies of a series of substituted benzylic ketones derived from histidine.EBI Bioorg Med Chem 15: 4427-33 (2007) Ecole Nationale Sup£rieure de Chimie de Montpellier 2D 3D TSV
17481904 24 Synthesis and biological activity of new melatonin dimeric derivatives.EBI Bioorg Med Chem 15: 4643-50 (2007) Università degli Studi di Urbino Carlo Bo 2D 3D TSV
17481894 64 4-Aryl-5-cyano-2-aminopyrimidines as VEGF-R2 inhibitors: synthesis and biological evaluation.EBI Bioorg Med Chem Lett 17: 3266-70 (2007) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
17481893 146 Novel inhibitors of VEGF receptors-1 and -2 based on azole-5-carboxamide templates.EBI Bioorg Med Chem Lett 17: 3550-7 (2007) Chemical Diversity, Inc. 2D 3D TSV
17480099 14 Bioactive compounds from Bauhinia purpurea possessing antimalarial, antimycobacterial, antifungal, anti-inflammatory, and cytotoxic activities.EBI J Nat Prod 70: 795-801 (2007) Chiang Mai University 2D 3D TSV
17480064 53 Pyrrolopyridine inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2).BDB J Med Chem 50: 2647-54 (2007) Pfizer 2D 3D TSV
17477519 10 Design, synthesis, and in vitro testing of alpha-methylacyl-CoA racemase inhibitors.BDB J Med Chem 50: 2700-7 (2007) University of Liverpool 2D 3D TSV
17477517 78 Discovery of a rhodanine class of compounds as inhibitors of Plasmodium falciparum enoyl-acyl carrier protein reductase.EBI J Med Chem 50: 2665-75 (2007) Institute of Science 2D 3D TSV
17477516 115 Discovery of 2-[(2,4-dichlorophenyl)amino]-N-[(tetrahydro- 2H-pyran-4-yl)methyl]-4-(trifluoromethyl)- 5-pyrimidinecarboxamide, a selective CB2 receptor agonist for the treatment of inflammatory pain.EBI J Med Chem 50: 2597-600 (2007) GlaxoSmithKline 2D 3D TSV
17475500 130 Carbonic anhydrases as targets for medicinal chemistry.EBI Bioorg Med Chem 15: 4336-50 (2007) Universit£ degli Studi di Firenze 2D 3D TSV
17475489 24 Synthesis and SAR studies of potent imidazopyridine anticoccidial agents.EBI Bioorg Med Chem Lett 17: 3558-61 (2007) Merck Research Laboratories 2D 3D TSV
17475488 13 2-Phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole derivatives: new potent inhibitors of fMLP-induced neutrophil chemotaxis.EBI Bioorg Med Chem Lett 17: 3696-701 (2007) Universit£ di Genova 2D 3D TSV
17474732 51 Isoform-selective inhibition of the human UDP-glucuronosyltransferase 2B7 by isolongifolol derivatives.EBI J Med Chem 50: 2655-64 (2007) University of Helsinki 2D 3D TSV
17472358 7 Novel nitrogen mustard-armed combi-molecules for the selective targeting of epidermal growth factor receptor overexperessing solid tumors: discovery of an unusual structure-activity relationship.EBI J Med Chem 50: 2605-8 (2007) McGill University Health Center/Royal Victoria Hospital 2D 3D TSV
17470817 12 Nootropic alpha7 nicotinic receptor allosteric modulator derived from GABAA receptor modulators.EBI Proc Natl Acad Sci USA 104: 8059-64 (2007) University of California 2D 3D TSV
17470393 6 Resisting degradation by human elastase: commonality of design features shared by 'canonical' plant and bacterial macrocyclic protease inhibitor scaffolds.EBI Bioorg Med Chem 15: 4618-28 (2007) Imperial College London 2D 3D TSV
17469812 12 Characterization and optimization of selective, nonpeptidic inhibitors of cathepsin S with an unprecedented binding mode.BDB J Med Chem 50: 2693-9 (2007) University of California at Berkeley 2D 3D TSV
17469811 45 Discovery and characterization of 4'-(2-furyl)-N-pyridin-3-yl-4,5'-bipyrimidin-2'-amine (LAS38096), a potent, selective, and efficacious A2B adenosine receptor antagonist.EBI J Med Chem 50: 2732-6 (2007) Almirall 2D 3D TSV
17467994 136 2D QSAR studies on thyroid hormone receptor ligands.EBI Bioorg Med Chem 15: 4609-17 (2007) Universidade de S£o Paulo 2D 3D TSV
17467988 21 Novel glucocorticoids containing a 6,5-bicyclic core fused to a pyrazole ring: synthesis, in vitro profile, molecular modeling studies, and in vivo experiments.BDB Bioorg Med Chem Lett 17: 3354-61 (2007) Merck Research Laboratories 2D 3D TSV
17467987 22 Discovery of new C3aR ligands. Part 1: arginine derivatives.EBI Bioorg Med Chem Lett 17: 3258-61 (2007) UCB Global Chemistry 2D 3D TSV
17467986 24 Synthesis and evaluation of isoxazole derivatives as lysophosphatidic acid (LPA) antagonists.EBI Bioorg Med Chem Lett 17: 3736-40 (2007) Ajinomoto Company Inc. 2D 3D TSV
17466519 39 Optimization of triaryl bis-sulfones as cannabinoid-2 receptor ligands.EBI Bioorg Med Chem Lett 17: 3760-4 (2007) Schering-Plough Research Institute 2D 3D TSV
17466326 4 Crystal structures of multidrug binding protein TtgR in complex with antibiotics and plant antimicrobials.BDB J Mol Biol 369: 829-40 (2007) Imperial College London 2D 3D TSV
17465519 2 A fragment-based approach for the discovery of isoform-specific p38alpha inhibitors.BDB ACS Chem Biol 2: 329-36 (2007) Burnham Institute for Medical Research 2D 3D TSV
17463090 3 Selective chemical probe inhibitor of Stat3, identified through structure-based virtual screening, induces antitumor activity.BDB Proc Natl Acad Sci U S A 104: 7391-6 (2007) University of Central Florida College of Medicine 2D 3D TSV
17462890 4 Docking-based 3D-QSAR study for selectivity of DPP4, DPP8, and DPP9 inhibitors.EBI Bioorg Med Chem Lett 17: 3716-21 (2007) Korea Research Institute of Chemical Technology 2D 3D TSV
17462889 110 From selective substrate analogue factor Xa inhibitors to dual inhibitors of thrombin and factor Xa. Part 3.EBI Bioorg Med Chem Lett 17: 3322-9 (2007) Curacyte Discovery GmbH 2D 3D TSV
17462888 38 Benzopyran sulfonamides as KV1.5 potassium channel blockers.EBI Bioorg Med Chem Lett 17: 3271-5 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17461566 11 Discovery of 3-piperidinyl-1-cyclopentanecarboxamide as a novel scaffold for highly potent CC chemokine receptor 2 antagonists.EBI J Med Chem 50: 2609-11 (2007) Merck Research Laboratories 2D 3D TSV
17461565 39 Identification of natural-product-derived inhibitors of 5-lipoxygenase activity by ligand-based virtual screening.EBI J Med Chem 50: 2640-6 (2007) Johann Wolfgang Goethe-Universität 2D 3D TSV
17460038 1 Small-molecule synergist of the Wnt/beta-catenin signaling pathway.EBI Proc Natl Acad Sci USA 104: 7444-8 (2007) The Scripps Research Institute 2D 3D TSV
17459706 42 C(4)-alkyl substituted furanyl cyclobutenediones as potent, orally bioavailable CXCR2 and CXCR1 receptor antagonists.EBI Bioorg Med Chem Lett 17: 3778-83 (2007) Schering Plough Research Institute 2D 3D TSV
17459705 26 Novel inhibitors of fatty acid amide hydrolase.BDB Bioorg Med Chem Lett 17: 3287-91 (2007) Bristol-Myers Squibb Company 2D 3D TSV
17459703 111 Synthesis and SAR of aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors.EBI Bioorg Med Chem Lett 17: 3463-7 (2007) UCB 2D 3D TSV
17459702 38 Discovery of new C3aR ligands. Part 2: amino-piperidine derivatives.EBI Bioorg Med Chem Lett 17: 3262-5 (2007) UCB Global Chemistry 2D 3D TSV
17459530 103 Classification of estrogen receptor-beta ligands on the basis of their binding affinities using support vector machine and linear discriminant analysis.EBI Eur J Med Chem 43: 43-52 (2008) Yantai University 2D 3D TSV
17458947 34 De Novo Parallel Design, Synthesis and Evaluation of Inhibitors against the Reverse Transcriptase of Human Immunodeficiency Virus Type-1 and Drug-ResiBDB J Med Chem 50: 2370-84 (2007) Bar Ilan University 2D 3D TSV
17455929 36 A tetrazolyl-substituted subtype-selective AMPA receptor agonist.EBI J Med Chem 50: 2408-14 (2007) University of Copenhagen 2D 3D TSV
17455928 171 Potent and selective agonists of human melanocortin receptor 5: cyclic analogues of alpha-melanocyte-stimulating hormone.EBI J Med Chem 50: 2520-6 (2007) Merck Research Laboratories 2D 3D TSV
17452318 9 Nicotinic acid receptor agonists differentially activate downstream effectors.EBI J Biol Chem 282: 18028-36 (2007) Arena Pharmaceuticals, Inc. 2D 3D TSV
17452102 227 (Arylpiperazinyl)cyclohexylsufonamides: discovery of alpha(1a/1d)-selective adrenergic receptor antagonists for the treatment of Benign Prostatic Hyperplasia/Lower Urinary Tract Symptoms (BPH/LUTS).EBI Bioorg Med Chem Lett 17: 3292-7 (2007) Johnson & Johnson Pharmaceutical Research and Development L.L.C. 2D 3D TSV
17452063 30 Carbamoyl tetrazoles as inhibitors of endocannabinoid inactivation: a critical revisitation.EBI Eur J Med Chem 43: 62-72 (2008) Università di Roma La Sapienza 2D 3D TSV
17451961 19 Assessing potency of c-Jun N-terminal kinase 3 (JNK3) inhibitors using 2D molecular descriptors and binary QSAR methodology.EBI Bioorg Med Chem 15: 4256-64 (2007) Aureus Pharma 2D 3D TSV
17451960 5 Synthesis and glycogen phosphorylase inhibitor activity of 2,3-dihydrobenzo[1,4]dioxin derivatives.EBI Bioorg Med Chem 15: 4048-56 (2007) University of Debrecen 2D 3D TSV
17451950 36 Derivatives of oxoisoaporphine alkaloids: a novel class of selective acetylcholinesterase inhibitors.EBI Bioorg Med Chem Lett 17: 3765-8 (2007) Sun Yat-Sen University 2D 3D TSV
17451272 6 Indolizidine alkaloids with delta-opioid receptor binding affinity from the leaves of Elaeocarpus fuscoides.EBI J Nat Prod 70: 872-5 (2007) Griffith University 2D 3D TSV
17451235 19 Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B through Structure-Based Design.BDB J Med Chem 50: 2289-92 (2007) Astex 2D 3D TSV
17451234 12 Identification of Inhibitors of Protein Kinase B Using Fragment-Based Lead Discovery.BDB J Med Chem 50: 2293-2296 (2007) Astex 2D 3D TSV
17449248 20 Structure-activity relationship, kinetic mechanism, and selectivity for a new class of ubiquitin C-terminal hydrolase-L1 (UCH-L1) inhibitors.EBI Bioorg Med Chem Lett 17: 3729-32 (2007) Harvard Medical School 2D 3D TSV
17448660 8 Squalene-derived flexible linkers for bioactive peptides.EBI Bioorg Med Chem Lett 17: 3310-3 (2007) University of Arizona 2D 3D TSV
17448659 29 Design and synthesis of novel hydantoin-containing melanin-concentrating hormone receptor antagonists.EBI Bioorg Med Chem Lett 17: 3754-9 (2007) Cerep 2D 3D TSV
17448658 53 Discovery and optimization of a series of quinazolinone-derived antagonists of CXCR3.EBI Bioorg Med Chem Lett 17: 3339-43 (2007) Amgen Inc. 2D 3D TSV
17448656 80 Bridged androstenediol analogs as ER-beta selective SERMs.EBI Bioorg Med Chem Lett 17: 2944-8 (2007) Merck Research Laboratories 2D 3D TSV
17448574 3 1-Aryl-4,6-dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-ones: a new class of antiproliferative agents with selectivity for human leukemia and breast cancer cell lines.EBI Eur J Med Chem 42: 1317-24 (2007) TBA 2D 3D TSV
17447751 1 Small molecule designed to target metal binding site in the alpha2I domain inhibits integrin function.EBI J Med Chem 50: 2742-6 (2007) University of Turku 2D 3D TSV
17447750 4 Bispyridinium dienes: histone deacetylase inhibitors with selective activities.EBI J Med Chem 50: 2497-505 (2007) Universidade de Vigo 2D 3D TSV
17447749 7 Enhanced substituted resorcinol hydrophobicity augments tyrosinase inhibition potency.EBI J Med Chem 50: 2676-81 (2007) MIGAL - Galilee Technology Center 2D 3D TSV
17447748 20 A high-throughput screen for aggregation-based inhibition in a large compound library.EBI J Med Chem 50: 2385-90 (2007) University of California San Francisco 2D 3D TSV
17447747 107 Selective Urokinase-Type Plasminogen Activator Inhibitors. 4. 1-(7-Sulfonamidoisoquinolinyl)guanidines.BDB J Med Chem 50: 2341-51 (2007) Pfizer 2D 3D TSV
17446076 187 Synthesis, inhibition and binding of simple non-nitrogen inhibitors of monoamine transporters.EBI Bioorg Med Chem 15: 4159-74 (2007) University of Aarhus 2D 3D TSV
17446073 2 Synthesis and biological evaluation of an 123I-labeled bicyclic nucleoside analogue (BCNA) as potential SPECT tracer for VZV-tk reporter gene imaging.EBI Bioorg Med Chem Lett 17: 3458-62 (2007) Katholieke Universiteit Leuven 2D 3D TSV
17446072 68 Structure-activity relationships of novel, highly potent, selective, and orally active CCR1 antagonists.EBI Bioorg Med Chem Lett 17: 3367-72 (2007) Tanabe Research Laboratories, Inc. 2D 3D TSV
17446071 15 Discovery of heterobicyclic templates for novel metabotropic glutamate receptor subtype 5 antagonists.EBI Bioorg Med Chem Lett 17: 2987-91 (2007) National Institute on Drug Abuse 2D 3D TSV
17446069 15 Synthesis and biological evaluation of 2beta,3alpha-(substituted phenyl)nortropanes as potential norepinephrine transporter imaging agents.EBI Bioorg Med Chem Lett 17: 3044-7 (2007) Emory University 2D 3D TSV
17444623 29 Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.BDB J Med Chem 50: 2310-8 (2007) Schering-Plough Research Institute 2D 3D TSV
17442568 14 Benzimidazo[1,2-c][1,2,3]thiadiazole-7-sulfonamides as inhibitors of carbonic anhydrase.EBI Bioorg Med Chem Lett 17: 3335-8 (2007) Institute of Biotechnology 2D 3D TSV
17442567 27 Piperidine amides as 11beta-hydroxysteroid dehydrogenase type 1 inhibitors.EBI Bioorg Med Chem Lett 17: 3421-5 (2007) Biovitrum AB 2D 3D TSV
17441906 10 The discovery of novel vascular endothelial growth factor receptor tyrosine kinases inhibitors: pharmacophore modeling, virtual screening and docking studies.BDB Chem Biol Drug Des 69: 204-11 (2007) Shanghai Jiaotong University 2D 3D TSV
17441903 3 Synthesis of peptidyl ene diones: selective inactivators of the cysteine proteinases.BDB Chem Biol Drug Des 69: 170-9 (2007) Queen's University of Belfast, 2D 3D TSV
17441705 28 Discovery of alogliptin: a potent, selective, bioavailable, and efficacious inhibitor of dipeptidyl peptidase IV.BDB J Med Chem 50: 2297-300 (2007) Takeda Pharmaceutical Company Ltd. 2D 3D TSV
17439112 46 Novel series of potent, nonsteroidal, selective androgen receptor modulators based on 7H-[1,4]oxazino[3,2-g]quinolin-7-ones.BDB J Med Chem 50: 2486-96 (2007) Ligand Pharmaceuticals Inc. 2D 3D TSV
17438061 20 Sensitivity of monkey B virus (Cercopithecine herpesvirus 1) to antiviral drugs: role of thymidine kinase in antiviral activities of substrate analogs and acyclonucleosides.EBI Antimicrob Agents Chemother 51: 2028-34 (2007) GLSynthesis Inc. 2D 3D TSV
17438050 6 Biochemical characterization of PER-2 and genetic environment of blaPER-2.EBI Antimicrob Agents Chemother 51: 2359-65 (2007) Universidad de Buenos Aires 2D 3D TSV
17434872 38 Molecular determinants for the selective inhibition of cyclooxygenase-2 by lumiracoxib.EBI J Biol Chem 282: 16379-90 (2007) Vanderbilt Institute for Chemical Biology 2D 3D TSV
17434740 7 Synthesis and evaluation of amino-threoses in D- and L-series: are five membered ring amino-sugars more potent glycosidase inhibitors than the six membered ones?EBI Bioorg Med Chem 15: 4125-35 (2007) Universit£ de Haute-Alsace 2D 3D TSV
17434735 34 Development of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones as orally active human chymase inhibitors.EBI Bioorg Med Chem Lett 17: 3435-9 (2007) Daiichi Asubio Pharma Co., Ltd 2D 3D TSV
17434734 28 Potent and selective isophthalamide S2 hydroxyethylamine inhibitors of BACE1.EBI Bioorg Med Chem Lett 17: 3378-83 (2007) Pfizer Global Research and Development 2D 3D TSV
17434733 36 Discovery of 1-(4-phenoxypiperidin-1-yl)-2-arylaminoethanone stearoyl-CoA desaturase 1 inhibitors.EBI Bioorg Med Chem Lett 17: 3388-91 (2007) Abbott Laboratories 2D 3D TSV
17434732 99 Triazolopiperazine-amides as dipeptidyl peptidase IV inhibitors: close analogs of JANUVIA (sitagliptin phosphate).EBI Bioorg Med Chem Lett 17: 3373-7 (2007) Merck Research Laboratories 2D 3D TSV
17434731 51 Naphthyl piperazines with dual activity as 5-HT1D antagonists and 5-HT reuptake inhibitors.EBI Bioorg Med Chem Lett 17: 3344-8 (2007) Lilly SA 2D 3D TSV
17434304 39 2-Aryl-2-hydroxyethylamine substituted 4-oxo-4,7-dihydrothieno[2,3-b]pyridines as broad-spectrum inhibitors of human herpesvirus polymerases.EBI Bioorg Med Chem Lett 17: 3349-53 (2007) Pfizer Inc. 2D 3D TSV
17433698 6 Synthesis and biological evaluation of phosphino dipeptide isostere inhibitor of human beta-secretase (BACE1).EBI Bioorg Med Chem 15: 4136-43 (2007) Technische Universität München 2D 3D TSV
17433696 38 Scaffold hopping, synthesis and structure-activity relationships of 5,6-diaryl-pyrazine-2-amide derivatives: a novel series of CB1 receptor antagonists.EBI Bioorg Med Chem 15: 4077-84 (2007) AstraZeneca R&D Mölndal 2D 3D TSV
17433695 54 In-vitro investigation of oxazol and urea analogues of morphinan at opioid receptors.EBI Bioorg Med Chem 15: 4106-12 (2007) Harvard Medical School 2D 3D TSV
17433673 44 Novel 3-galloylamido-N'-substituted-2,6-piperidinedione-N-acetamide peptidomimetics as metalloproteinase inhibitors.EBI Bioorg Med Chem Lett 17: 2935-8 (2007) Shandong University 2D 3D TSV
17433672 16 Rational design of a novel, potent, and orally bioavailable cyclohexylamine DPP-4 inhibitor by application of molecular modeling and X-ray crystallography of sitagliptin.EBI Bioorg Med Chem Lett 17: 3384-7 (2007) Merck Research Laboratories 2D 3D TSV
17433505 51 Synthesis and biological activity of imidazopyridine anticoccidial agents: part I.EBI Eur J Med Chem 42: 1334-57 (2007) SCYNEXIS, Inc. 2D 3D TSV
17432843 22 Design, synthesis, and X-ray structure of potent memapsin 2 (beta-secretase) inhibitors with isophthalamide derivatives as the P2-P3-ligands.BDB J Med Chem 50: 2399-407 (2007) Purdue University 2D 3D TSV
17432842 11 Target-based approach to inhibitors of histone arginine methyltransferases.EBI J Med Chem 50: 2319-25 (2007) Albert-Ludwigs-University of Freiburg 2D 3D TSV
17428923 38 Discovery of a small molecule antagonist of the parathyroid hormone receptor by using an N-terminal parathyroid hormone peptide probe.EBI Proc Natl Acad Sci U S A 104: 6846-51 (2007) Pharmaceutical Research Institute 2D 3D TSV
17428804 1 chi-Conotoxin and tricyclic antidepressant interactions at the norepinephrine transporter define a new transporter model.EBI J Biol Chem 282: 17837-44 (2007) The University of Queensland 2D 3D TSV
17428670 1 Inhibitory effect of obovatal on the migration and invasion of HT1080 cells via the inhibition of MMP-2.EBI Bioorg Med Chem 15: 4085-90 (2007) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
17428667 13 Synthesis of andrographolide derivatives: a new family of alpha-glucosidase inhibitors.EBI Bioorg Med Chem 15: 4247-55 (2007) Zhengzhou University 2D 3D TSV
17428662 16 Structure-based organic synthesis of unnatural aeruginosin hybrids as potent inhibitors of thrombin.EBI Bioorg Med Chem Lett 17: 3480-5 (2007) Université de Montréal 2D 3D TSV
17428659 192 Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 1.EBI Bioorg Med Chem Lett 17: 3023-7 (2007) Schering-Plough Research Institute 2D 3D TSV
17428657 18 Potent bradykinin B1 receptor antagonists: 4-substituted phenyl cyclohexanes.EBI Bioorg Med Chem Lett 17: 3006-9 (2007) Merck 2D 3D TSV
17428043 5 Dihydroxypyrimidine-4-carboxamides as novel potent and selective HIV integrase inhibitors.EBI J Med Chem 50: 2225-39 (2007) P. Angeletti S.p.A. (Merck Research Laboratories 2D 3D TSV
17426033 5 Glyoxylate and pyruvate are antagonistic effectors of the Escherichia coli IclR transcriptional regulator.BDB J Biol Chem 282: 16476-91 (2007) University of Toronto 2D 3D TSV
17425299 8 Novel selective neuropeptide Y2 receptor PEGylated peptide agonists reduce food intake and body weight in mice.EBI J Med Chem 50: 2264-8 (2007) Bayer Pharmaceuticals Corporation 2D 3D TSV
17425298 14 Virtual screening for novel openers of pancreatic K(ATP) channels.EBI J Med Chem 50: 2117-26 (2007) University of Perugia 2D 3D TSV
17425297 18 Structure-based design and synthesis of N(omega)-nitro-L-arginine-containing peptidomimetics as selective inhibitors of neuronal nitric oxide synthase. Displacement of the heme structural water.BDB J Med Chem 50: 2089-99 (2007) Northwestern University 2D 3D TSV
17425296 161 1,4-Dihydroindeno[1,2-c]pyrazoles with acetylenic side chains as novel and potent multitargeted receptor tyrosine kinase inhibitors with low affinity for the hERG ion channel.EBI J Med Chem 50: 2011-29 (2007) Abbott Laboratories 2D 3D TSV
17420132 4 Molecular modeling study for the binding of zonisamide and topiramate to the human mitochondrial carbonic anhydrase isoform VA.EBI Bioorg Med Chem 15: 4152-8 (2007) Istituto di Biostrutture e Bioimmagini-CNR 2D 3D TSV
17420123 219 Synthesis and structure-activity relationships of 4-hydroxy-4-phenylpiperidines as nociceptin receptor ligands: Part 2.EBI Bioorg Med Chem Lett 17: 3028-33 (2007) Schering-Plough Research Institute 2D 3D TSV
17420122 18 Selective and dual action orally active inhibitors of thrombin and factor Xa.EBI Bioorg Med Chem Lett 17: 2927-30 (2007) GlaxoSmithKline 2D 3D TSV
17420073 31 Synthesis of bridged piperazines with sigma receptor affinity.EBI Eur J Med Chem 42: 1247-62 (2007) Institut f£r Pharmazeutische und Medizinische Chemie 2D 3D TSV
17419603 6 Design and synthesis of a potent histone deacetylase inhibitor.EBI J Med Chem 50: 2003-6 (2007) Virginia Tech 2D 3D TSV
17419056 16 Novel aminoethylbiphenyls as 5-HT7 receptor ligands.EBI Bioorg Med Chem Lett 17: 3018-22 (2007) Université de Caen 2D 3D TSV
17419055 30 Identification of 6-substituted 4-arylsulfonyl-1,4-diazepane-2,5-diones as a novel scaffold for human chymase inhibitors.EBI Bioorg Med Chem Lett 17: 3431-4 (2007) Daiichi Asubio Pharma Co., Ltd 2D 3D TSV
17419053 49 Novel benzodifuran analogs as potent 5-HT2A receptor agonists with ocular hypotensive activity.EBI Bioorg Med Chem Lett 17: 2998-3002 (2007) Alcon Research, Ltd 2D 3D TSV
17418915 48 QSAR study on a novel series of 8-azaadenine analogues proposed as A1 adenosine receptor antagonists.EBI Eur J Med Chem 43: 114-21 (2008) University of Pisa 2D 3D TSV
17418571 23 Design, synthesis, and evaluation of tetrahydroquinoline and pyrrolidine sulfonamide carbamates as gamma-secretase inhibitors.EBI Bioorg Med Chem Lett 17: 3010-3 (2007) Pharmacopeia Drug Discovery, Inc. 2D 3D TSV
17418570 141 CC chemokine receptor-3 (CCR3) antagonists: improving the selectivity of DPC168 by reducing central ring lipophilicity.EBI Bioorg Med Chem Lett 17: 2992-7 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17418569 4 Ligand based virtual screening and biological evaluation of inhibitors of chorismate mutase (Rv1885c) from Mycobacterium tuberculosis H37Rv.EBI Bioorg Med Chem Lett 17: 3053-8 (2007) Central Drug Research Institute 2D 3D TSV
17418568 50 1,3-disubstituted 4-aminopiperidines as useful tools in the optimization of the 2-aminobenzo[a]quinolizine dipeptidyl peptidase IV inhibitors.EBI Bioorg Med Chem Lett 17: 2966-70 (2007) F. Hoffmann-La Roche Ltd 2D 3D TSV
17418233 9 Evidence for a novel binding site conformer of aldose reductase in ligand-bound state.BDB J Mol Biol 369: 186-97 (2007) University of Marburg 2D 3D TSV
17417831 11 A refined pharmacophore identifies potent 4-amino-7-chloroquinoline-based inhibitors of the botulinum neurotoxin serotype A metalloprotease.BDB J Med Chem 50: 2127-36 (2007) National Cancer Institute at Frederick 2D 3D TSV
17416533 39 Prodrug-based design, synthesis, and biological evaluation of N-benzenesulfonylpiperidine derivatives as novel, orally active factor Xa inhibitors.EBI Bioorg Med Chem 15: 4175-92 (2007) Astellas Pharma Inc. 2D 3D TSV
17416531 79 Dual irreversible kinase inhibitors: quinazoline-based inhibitors incorporating two independent reactive centers with each targeting different cysteine residues in the kinase domains of EGFR and VEGFR-2.EBI Bioorg Med Chem 15: 3635-48 (2007) Wyeth Research 2D 3D TSV
17416521 67 Discovery and structure-activity relationship studies of indole derivatives as liver X receptor (LXR) agonists.BDB Bioorg Med Chem Lett 17: 3473-9 (2007) Tanabe Research Laboratories USA 2D 3D TSV
17412584 26 Synthesis and biological activity of 2-alkylbenzimidazoles bearing a N-phenylpyrrole moiety as novel angiotensin II AT1 receptor antagonists.EBI Bioorg Med Chem Lett 17: 2921-6 (2007) China Pharmaceutical University 2D 3D TSV
17412583 81 Synthesis and biological evaluation of diamine-based histamine H3 antagonists with serotonin reuptake inhibitor activity.EBI Bioorg Med Chem Lett 17: 3130-5 (2007) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
17408953 22 Beta-substituted cyclohexanecarboxamide cathepsin K inhibitors: modification of the 1,2-disubstituted aromatic core.BDB Bioorg Med Chem Lett 17: 3146-51 (2007) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
17408249 76 Potent nonpeptide antagonists of the bradykinin B1 receptor: structure-activity relationship studies with novel diaminochroman carboxamides.EBI J Med Chem 50: 2200-12 (2007) Amgen Inc. 2D 3D TSV
17407817 32 Novel series of substituted biphenylmethyl urea derivatives as MCH-R1 antagonists for the treatment of obesity.EBI Bioorg Med Chem 15: 3896-911 (2007) University of Navarra 2D 3D TSV
17407815 27 Tricyclic isoxazolines: identification of R226161 as a potential new antidepressant that combines potent serotonin reuptake inhibition and alpha2-adrenoceptor antagonism.EBI Bioorg Med Chem 15: 3649-60 (2007) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
17407812 2 PTP1B inhibitor Ertiprotafib is also a potent inhibitor of IkappaB kinase beta (IKK-beta).EBI Bioorg Med Chem Lett 17: 2728-30 (2007) Inha University 2D 3D TSV
17407811 34 Novel pyridyl-fused 3-amino chroman derivatives with dual action at serotonin transporter and 5-HT1A receptor.EBI Bioorg Med Chem Lett 17: 3117-21 (2007) Wyeth Research 2D 3D TSV
17407276 45 Pharmacological properties of bivalent ligands containing butorphan linked to nalbuphine, naltrexone, and naloxone at mu, delta, and kappa opioid receptors.EBI J Med Chem 50: 2254-8 (2007) Harvard Medical School 2D 3D TSV
17407275 12 Structure-activity relationship of uridine 5'-diphosphoglucose analogues as agonists of the human P2Y14 receptor.EBI J Med Chem 50: 2030-9 (2007) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
17405877 2 Mechanisms for picrotoxinin and picrotin blocks of alpha2 homomeric glycine receptors.EBI J Biol Chem 282: 16016-35 (2007) Université Pierre et Marie Curie 2D 3D TSV
17403688 6 Insights into the mechanism of partial agonism: crystal structures of the peroxisome proliferator-activated receptor gamma ligand-binding domain in the complex with two enantiomeric ligands.BDB J Biol Chem 282: 17314-24 (2007) Consiglio Nazionale delle Ricerche 2D 3D TSV
17402725 9 Indium-labeled macrocyclic conjugates of naltrindole: high-affinity radioligands for in vivo studies of peripheral delta opioid receptors.EBI J Med Chem 50: 2144-56 (2007) University of Missouri-Columbia 2D 3D TSV
17402723 30 Structure-activity relationship studies of gonadotropin-releasing hormone antagonists containing S-aryl/alkyl norcysteines and their oxidized derivatives.EBI J Med Chem 50: 2067-77 (2007) Salk Institute 2D 3D TSV
17402721 20 Dihydropyridopyrazinones and dihydropteridinones as corticotropin-releasing factor-1 receptor antagonists: structure-activity relationships and computational modeling.BDB J Med Chem 50: 2269-72 (2007) Bristol-Myers Squibb Company 2D 3D TSV
17400460 2 Radical scavenging and cytochrome P450 3A4 inhibitory activity of bergaptol and geranylcoumarin from grapefruit.EBI Bioorg Med Chem 15: 3684-91 (2007) Texas A&M University 2D 3D TSV
17400453 17 Additional interaction of allophenylnorstatine-containing tripeptidomimetics with malarial aspartic protease plasmepsin II.EBI Bioorg Med Chem Lett 17: 3048-52 (2007) Kyoto Pharmaceutical University 2D 3D TSV
17400452 42 PDE-10A inhibitors as insulin secretagogues.EBI Bioorg Med Chem Lett 17: 2869-73 (2007) Bayer Pharmaceuticals Corporation 2D 3D TSV
17400450 1 Preparation of novel anthranilic acids as antibacterial agents: extensive evaluation of structural and physical properties on antibacterial activity and human serum albumin affinity.EBI Bioorg Med Chem Lett 17: 3113-6 (2007) Pharmacia Corporation 2D 3D TSV
17399990 45 In vitro activity of novel dual action MDR anthranilamide modulators with inhibitory activity on CYP-450 (Part 2).EBI Bioorg Med Chem 15: 3854-68 (2007) Université Laval 2D 3D TSV
17399989 1 Structure based de novo design of novel glycogen synthase kinase 3 inhibitors.EBI Bioorg Med Chem 15: 3728-36 (2007) Addis Ababa University 2D 3D TSV
17399987 11 3-{2-[Bis-(4-fluorophenyl)methoxy]ethyl}-6-substituted-3,6-diazabicyclo[3.1.1]heptanes as novel potent dopamine uptake inhibitors.EBI Bioorg Med Chem 15: 3748-55 (2007) Universit£ di Sassari 2D 3D TSV
17399986 114 R-isomers of Arg-Gly-Asp (RGD) mimics as potent alphavbeta3 inhibitors.EBI Bioorg Med Chem 15: 3783-800 (2007) Pfizer Global Research and Development 2D 3D TSV
17399985 136 Analysis of the inhibition of mammalian carboxylesterases by novel fluorobenzoins and fluorobenzils.EBI Bioorg Med Chem 15: 3801-17 (2007) St. Jude Children's Research Hospital 2D 3D TSV
17398093 72 Imidazole moiety replacements in the 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one inhibitors of insulin-like growth factor receptor-1 (IGF-1R) to improve cytochrome P450 profile.EBI Bioorg Med Chem Lett 17: 3072-6 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17398092 74 The discovery of highly selective erbB2 (Her2) inhibitors for the treatment of cancer.EBI Bioorg Med Chem Lett 17: 3081-6 (2007) Pfizer, Inc. 2D 3D TSV
17398090 18 Dual M3 antagonists-PDE4 inhibitors. Part 2: Synthesis and SAR of 3-substituted azetidinyl derivatives.EBI Bioorg Med Chem Lett 17: 3077-80 (2007) UCB Pharma S.A. 2D 3D TSV
17395594 10 Cellular characterization of a novel focal adhesion kinase inhibitor.EBI J Biol Chem 282: 14845-52 (2007) University of Virginia 2D 3D TSV
17395590 2 Minocycline down-regulates MHC II expression in microglia and macrophages through inhibition of IRF-1 and protein kinase C (PKC)alpha/betaII.EBI J Biol Chem 282: 15208-16 (2007) University of Wisconsin 2D 3D TSV
17395470 40 Differential receptor binding characteristics of consecutive phenylalanines in micro-opioid specific peptide ligand endomorphin-2.EBI Bioorg Med Chem 15: 3883-8 (2007) Kyushu University 2D 3D TSV
17395464 38 Small molecule antagonists of the CC chemokine receptor 4 (CCR4).EBI Bioorg Med Chem Lett 17: 3141-5 (2007) Millennium Pharmaceuticals 2D 3D TSV
17395463 14 4-substituted indazoles as new inhibitors of neuronal nitric oxide synthase.EBI Bioorg Med Chem Lett 17: 3177-80 (2007) UPRES-EA 3915 2D 3D TSV
17395461 2 Methylenebis(sulfonamide) linked nicotinamide adenine dinucleotide analogue as an inosine monophosphate dehydrogenase inhibitor.EBI Bioorg Med Chem Lett 17: 3152-5 (2007) University of Minnesota 2D 3D TSV
17395460 13 Kinesin spindle protein (KSP) inhibitors. Part V: discovery of 2-propylamino-2,4-diaryl-2,5-dihydropyrroles as potent, water-soluble KSP inhibitors, and modulation of their basicity by beta-fluorination to overcome cellular efflux by P-glycoprotein.EBI Bioorg Med Chem Lett 17: 2697-702 (2007) Merck Research Laboratories 2D 3D TSV
17394300 35 Development of molecular probes for second-site screening and design of protein tyrosine phosphatase inhibitors.EBI J Med Chem 50: 2137-43 (2007) Institute for Medical Research 2D 3D TSV
17393456 4 Identification of novel fragment compounds targeted against the pY pocket of v-Src SH2 by computational and NMR screening and thermodynamic evaluation.BDB Proteins 67: 981-90 (2007) University College London 2D 3D TSV
17391965 28 Aporphine metho salts as neuronal nicotinic acetylcholine receptor blockers.EBI Bioorg Med Chem 15: 3368-72 (2007) University of Chile 2D 3D TSV
17391964 54 Further modification on phenyl acetic acid based quinolines as liver X receptor modulators.BDB Bioorg Med Chem 15: 3321-33 (2007) Wyeth Research 2D 3D TSV
17391963 32 Discovery of a novel small molecule binding site of human survivin.EBI Bioorg Med Chem Lett 17: 3122-9 (2007) Abbott Laboratories 2D 3D TSV
17391962 27 Conformationally restricted homotryptamines 3. Indole tetrahydropyridines and cyclohexenylamines as selective serotonin reuptake inhibitors.EBI Bioorg Med Chem Lett 17: 3099-104 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17391959 100 Synthesis and biological evaluation of 5-substituted 1,4-dihydroindeno[1,2-c]pyrazoles as multitargeted receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 17: 3136-40 (2007) Abbott Laboratories 2D 3D TSV
17389363 2 Naloxone acts as a potent analgesic in transgenic mouse models of sickle cell anemia.EBI Proc Natl Acad Sci U S A 104: 6061-5 (2007) University of Minnesota 2D 3D TSV
17388627 4 Habbemines A and B, pyrrolidine alkaloids with human delta-opioid receptor binding affinity from the leaves of Elaeocarpus habbemensis.EBI J Nat Prod 70: 866-8 (2007) Griffith University 2D 3D TSV
17387018 74 Discovery of +(2-{4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl}-cyclopropyl)acetic acid as potent and selective alphavbeta3 inhibitor: design, synthesis, and optimization.EBI Bioorg Med Chem 15: 3390-412 (2007) Pfizer Global Research and Development 2D 3D TSV
17385848 15 Phenolic hydrazones are potent inhibitors of macrophage migration inhibitory factor proinflammatory activity and survival improving agents in sepsis.EBI J Med Chem 50: 1993-7 (2007) and The New York School of Medicine 2D 3D TSV
17383874 15 2-hydroxy-N-arylbenzenesulfonamides as ATP-citrate lyase inhibitors.EBI Bioorg Med Chem Lett 17: 3208-11 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17383873 10 Piperazinyl CCR1 antagonists--optimization of human liver microsome stability.EBI Bioorg Med Chem Lett 17: 3109-12 (2007) Pfizer Global Research and Development 2D 3D TSV
17383180 52 Optimization of imidazole amide derivatives as cannabinoid-1 receptor antagonists for the treatment of obesity.EBI Bioorg Med Chem Lett 17: 2706-11 (2007) Bayer HealthCare 2D 3D TSV
17382545 114 Synthesis and SAR of succinamide peptidomimetic inhibitors of cathepsin S.BDB Bioorg Med Chem Lett 17: 2899-903 (2007) GNF 2D 3D TSV
17382543 1 SAR studies on thiazolo[4,5-d]pyrimidine based CXCR2 antagonists involving a novel tandem displacement reaction.EBI Bioorg Med Chem Lett 17: 2731-4 (2007) AstraZeneca 2D 3D TSV
17381154 4 Neuroprotective principles from Gastrodia elata.EBI J Nat Prod 70: 571-4 (2007) National Research Institute of Chinese Medicine 2D 3D TSV
17381079 8 Design, synthesis, and evaluation of inhibitors for severe acute respiratory syndrome 3C-like protease based on phthalhydrazide ketones or heteroaromatic esters.EBI J Med Chem 50: 1850-64 (2007) University of Alberta 2D 3D TSV
17379528 30 Synthesis and SAR studies of a novel class of S1P1 receptor antagonists.EBI Bioorg Med Chem 15: 3548-64 (2007) Sankyo Co., Ltd 2D 3D TSV
17379526 13 The screening and characterization of 6-aminopurine-based xanthine oxidase inhibitors.EBI Bioorg Med Chem 15: 3450-6 (2007) Institute of Biological Chemistry and the Genomics Research Center 2D 3D TSV
17379517 45 Design of potent PPARalpha agonists.EBI Bioorg Med Chem Lett 17: 3198-202 (2007) Novo Nordisk A/S 2D 3D TSV
17379516 44 Identification of a novel class of succinyl-nitrile-based Cathepsin S inhibitors.EBI Bioorg Med Chem Lett 17: 2465-9 (2007) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
17379515 9 Synthesis, characterization, and estrogen receptor binding affinity of flavone-, indole-, and furan-estradiol conjugates.EBI Bioorg Med Chem Lett 17: 3212-6 (2007) Université de Sherbrooke 2D 3D TSV
17379514 1 Fluorinated NSC as a Cdc25 inhibitor.EBI Bioorg Med Chem Lett 17: 2351-4 (2007) Sejong University 2D 3D TSV
17379147 5 Covalent reactions of wortmannin under physiological conditions.BDB Chem Biol 14: 321-8 (2007) Massachusetts General Hospital 2D 3D TSV
17378609 29 Lipoxygenase inhibitory constituents of the fruits of noni (Morinda citrifolia) collected in Tahiti.EBI J Nat Prod 70: 859-62 (2007) Tahitian Noni International 2D 3D TSV
17378546 325 Selective inhibition of carboxylesterases by isatins, indole-2,3-diones.BDB J Med Chem 50: 1876-85 (2007) St. Jude Research Hospital 2D 3D TSV
17378545 10 Pyrogallol-based molecules as potent inhibitors of the antiapoptotic Bcl-2 proteins.EBI J Med Chem 50: 1723-6 (2007) University of Michigan 2D 3D TSV
17378544 121 Structure-activity relationships of 2,N(6),5'-substituted adenosine derivatives with potent activity at the A2B adenosine receptor.EBI J Med Chem 50: 1810-27 (2007) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
17376695 7 Syntheses and binding affinities of 6-nitroquipazine analogues for serotonin transporter. Part 5: 2'-Substituted 6-nitroquipazines.EBI Bioorg Med Chem 15: 3499-504 (2007) Inha University 2D 3D TSV
17376693 36 Novel 5-substituted 1-pyrazolol analogues of ibotenic acid: synthesis and pharmacology at glutamate receptors.EBI Bioorg Med Chem 15: 3524-38 (2007) The Danish University of Pharmaceutical Sciences 2D 3D TSV
17376683 63 Carbonic anhydrase inhibitors. Inhibition of isoforms I, II, IV, VA, VII, IX, and XIV with sulfonamides incorporating fructopyranose-thioureido tails.EBI Bioorg Med Chem Lett 17: 2685-91 (2007) Ecole Nationale Sup£rieure de Chimie de Montpellier 2D 3D TSV
17376680 18 Structural factors contributing to the Abl/Lyn dual inhibitory activity of 3-substituted benzamide derivatives.EBI Bioorg Med Chem Lett 17: 2712-7 (2007) Nippon Shinyaku Co. Ltd. 2D 3D TSV
17376430 19 ATP non-competitive IGF-1 receptor kinase inhibitors as lead anti-neoplastic and anti-papilloma agents.EBI Eur J Pharmacol 562: 1-11 (2007) The Hebrew University of Jerusalem 2D 3D TSV
17375905 20 4-aryl-5-(4-piperidyl)-3-isoxazolol GABAA antagonists: synthesis, pharmacology, and structure-activity relationships.EBI J Med Chem 50: 1988-92 (2007) University of Copenhagen 2D 3D TSV
17375904 80 Synthesis and pharmacological in vitro and in vivo evaluations of novel triazole derivatives as ligands of the ghrelin receptor. 1.EBI J Med Chem 50: 1939-57 (2007) CNRS-Universités Montpellier I et II 2D 3D TSV
17375903 3 NMR screening applied to the fragment-based generation of inhibitors of creatine kinase exploiting a new interaction proximate to the ATP binding site.EBI J Med Chem 50: 1865-75 (2007) Universit£ Claude Bernard Lyon 1 2D 3D TSV
17374486 6 Na+-glucose cotransporter (SGLT) inhibitory flavonoids from the roots of Sophora flavescens.EBI Bioorg Med Chem 15: 3445-9 (2007) Nippon Suisan Kaisha, Ltd 2D 3D TSV
17373783 62 Discovery, synthesis, and in vivo activity of a new class of pyrazoloquinazolines as selective inhibitors of aurora B kinase.BDB J Med Chem 50: 2213-24 (2007) AstraZeneca 2D 3D TSV
17373554 5 Inhibitory effect on soybean lipoxygenase and docking studies of some secondary metabolites, isolated from Origanum vulgare L. ssp. hirtum.BDB J Enzyme Inhib Med Chem 22: 99-104 (2007) University of Athens 2D 3D TSV
17371872 2 The nucleoside analog sangivamycin induces apoptotic cell death in breast carcinoma MCF7/adriamycin-resistant cells via protein kinase Cdelta and JNK activation.EBI J Biol Chem 282: 15271-83 (2007) Georgetown University Medical Center 2D 3D TSV
17371869 24 Identification of an efficacy switch region in the ghrelin receptor responsible for interchange between agonism and inverse agonism.EBI J Biol Chem 282: 15799-811 (2007) University of Copenhagen 2D 3D TSV
17371809 6 Kinetic characterization of squalene synthase from Trypanosoma cruzi: selective inhibition by quinuclidine derivatives.EBI Antimicrob Agents Chemother 51: 2123-9 (2007) Instituto de Parasitolog£a y Biomedicina"L£pez-Neyra 2D 3D TSV
17371799 12 Metabolism and pharmacokinetics of a novel Src kinase inhibitor TG100435 ([7-(2,6-dichloro-phenyl)-5-methyl-benzo[1,2,4]triazin-3-yl]-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-amine) and its active N-oxide metabolite TG100855 ([7-(2,6-dichloro-phenyl)-5-methylbenzo[1,2,4]triazin-3-yl]-{4-[2-(1-oxy-pyrrEBI Drug Metab Dispos 35: 929-36 (2007) TargeGen, Inc. 2D 3D TSV
17371004 10 Examination of acylated 4-aminopiperidine-4-carboxylic acid residues in the phosphotyrosyl+1 position of Grb2 SH2 domain-binding tripeptides.EBI J Med Chem 50: 1978-82 (2007) National Cancer Institute 2D 3D TSV
17371003 128 Pyranone, thiopyranone, and pyridone inhibitors of phosphatidylinositol 3-kinase related kinases. Structure-activity relationships for DNA-dependent protein kinase inhibition, and identification of the first potent and selective inhibitor of the ataxia telangiectasia mutated kinase.EBI J Med Chem 50: 1958-72 (2007) Newcastle University 2D 3D TSV
17368901 6 1-(1,3-Benzodioxol-5-ylmethyl)-3-[4-(1H-imidazol-1-yl)phenoxy]-piperidine analogs as potent and selective inhibitors of nitric oxide formation.EBI Bioorg Med Chem Lett 17: 2499-504 (2007) Berlex Biosciences 2D 3D TSV
17368898 6 Synthesis and evaluation of novel benzimidazole derivative [Bz-Im] and its radio/biological studies.EBI Bioorg Med Chem Lett 17: 2749-55 (2007) Lucknow University 2D 3D TSV
17368668 8 Structural and thermodynamic study on aldose reductase: nitro-substituted inhibitors with strong enthalpic binding contribution.BDB J Mol Biol 368: 618-38 (2007) University of Marburg 2D 3D TSV
17368025 42 Novel C-5 aminomethyl pyrrolotriazine dual inhibitors of EGFR and HER2 protein tyrosine kinases.EBI Bioorg Med Chem Lett 17: 2828-33 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17368023 24 Methylenedisalicylic acid derivatives: new PTP1B inhibitors that confer resistance to diet-induced obesity.EBI Bioorg Med Chem Lett 17: 2760-4 (2007) Inha University 2D 3D TSV
17368021 55 Hydantoins, triazolones, and imidazolones as selective non-hydroxamate inhibitors of tumor necrosis factor-alpha converting enzyme (TACE).EBI Bioorg Med Chem Lett 17: 2769-74 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17368019 46 Structure-activity relationships, and drug metabolism and pharmacokinetic properties for indazole piperazine and indazole piperidine inhibitors of ROCK-II.EBI Bioorg Med Chem Lett 17: 2355-60 (2007) The Scripps Research Institute 2D 3D TSV
17367895 17 Structure-based discovery of new small molecule inhibitors of low molecular weight protein tyrosine phosphatase.EBI Eur J Med Chem 42: 1102-8 (2007) Institute for Research in Biomedicine (IRB) 2D 3D TSV
17367123 37 Discovery and structure-activity relationships of piperidinone- and piperidine-constrained phenethylamines as novel, potent, and selective dipeptidyl peptidase IV inhibitors.BDB J Med Chem 50: 1983-7 (2007) Abbott Laboratories 2D 3D TSV
17363259 21 Nodulisporol and Nodulisporone, novel specific inhibitors of human DNA polymerase lambda from a fungus, Nodulisporium sp.EBI Bioorg Med Chem 15: 3109-14 (2007) Science University of Tokyo 2D 3D TSV
17361995 31 Discovery of potent, selective, orally active, nonpeptide inhibitors of human mast cell chymase.EBI J Med Chem 50: 1727-30 (2007) Johnson & Johnson Pharmaceutical Research and Development 2D 3D TSV
17360676 3 c-Src protein kinase inhibitors block assembly and maturation of dengue virus.EBI Proc Natl Acad Sci U S A 104: 3520-5 (2007) Harvard Medical School 2D 3D TSV
17360666 7 From the Cover: Antipsychotic drug-induced weight gain mediated by histamine H1 receptor-linked activation of hypothalamic AMP-kinase.EBI Proc Natl Acad Sci USA 104: 3456-9 (2007) The Johns Hopkins University School of Medicine 2D 3D TSV
17360485 10 Antitumor activity of MLN8054, an orally active small-molecule inhibitor of Aurora A kinase.EBI Proc Natl Acad Sci USA 104: 4106-11 (2007) Millennium Pharmaceuticals Inc. 2D 3D TSV
17360344 1 Synthesis and evaluation of transthyretin amyloidosis inhibitors containing carborane pharmacophores.EBI Proc Natl Acad Sci USA 104: 4808-13 (2007) University of California 2D 3D TSV
17358052 64 Analogues of acifran: agonists of the high and low affinity niacin receptors, GPR109a and GPR109b.EBI J Med Chem 50: 1445-8 (2007) Arena Pharmaceuticals 2D 3D TSV
17358051 13 Synthesis of a new class of druglike angiotensin II C-terminal mimics with affinity for the AT2 receptor.EBI J Med Chem 50: 1711-5 (2007) Uppsala University 2D 3D TSV
17353248 6 SCO-1, a novel plasmid-mediated class A beta-lactamase with carbenicillinase characteristics from Escherichia coli.EBI Antimicrob Agents Chemother 51: 2185-8 (2007) Institut Pasteur Hellenique 2D 3D TSV
17352465 109 Probing the pharmacophore of ginkgolides as glycine receptor antagonists.EBI J Med Chem 50: 1610-7 (2007) University of Copenhagen 2D 3D TSV
17352464 51 Structure-based design, synthesis, and biological evaluation of potent and selective macrocyclic checkpoint kinase 1 inhibitors.BDB J Med Chem 50: 1514-27 (2007) Abbott Laboratories 2D 3D TSV
17352463 59 Discovery of diaryl imidazolidin-2-one derivatives, a novel class of muscarinic M3 selective antagonists (Part 2).EBI J Med Chem 50: 1693-7 (2007) Via Zambeletti 25 2D 3D TSV
17352462 90 Discovery of diaryl imidazolidin-2-one derivatives, a novel class of muscarinic M3 selective antagonists (Part 1).EBI J Med Chem 50: 1571-83 (2007) Via Zambeletti 25 2D 3D TSV
17352460 159 Self-organizing maps for identification of new inhibitors of P-glycoprotein.EBI J Med Chem 50: 1698-702 (2007) University of Vienna 2D 3D TSV
17351628 10 Fluorogenic probes for monitoring peptide binding to class II MHC proteins in living cells.EBI Nat Chem Biol 3: 222-8 (2007) University of Massachusetts Medical School 2D 3D TSV
17350953 3 The rapamycin-binding domain of the protein kinase mammalian target of rapamycin is a destabilizing domain.EBI J Biol Chem 282: 13395-401 (2007) Stanford University 2D 3D TSV
17350841 92 4-aminophenylalanine and 4-aminocyclohexylalanine derivatives as potent, selective, and orally bioavailable inhibitors of dipeptidyl peptidase IV.BDB Bioorg Med Chem Lett 17: 2879-85 (2007) Merck Research Laboratories 2D 3D TSV
17350840 9 Aryl sulfonamido indane inhibitors of the Kv1.5 ion channel.EBI Bioorg Med Chem Lett 17: 2849-53 (2007) Icagen Inc. 2D 3D TSV
17350839 52 Synthesis and structure-activity relationships of spirohydantoin-derived small-molecule antagonists of the melanin-concentrating hormone receptor-1 (MCH-R1).EBI Bioorg Med Chem Lett 17: 2171-8 (2007) Neurocrine Biosciences Inc. 2D 3D TSV
17350837 59 Synthesis, structural analysis, and SAR studies of triazine derivatives as potent, selective Tie-2 inhibitors.EBI Bioorg Med Chem Lett 17: 2886-9 (2007) Amgen Inc. 2D 3D TSV
17350835 88 Further studies of tyrosine surrogates in opioid receptor peptide ligands.EBI Bioorg Med Chem Lett 17: 2656-60 (2007) Adolor Corporation 2D 3D TSV
17350268 18 Synthesis of hybrid molecules of caffeine and eudistomin D and its effects on adenosine receptors.BDB Bioorg Med Chem 15: 3235-40 (2007) Hokkaido University 2D 3D TSV
17350267 48 Synthesis and preliminary pharmacological evaluation of the four stereoisomers of (2S)-2-(2'-phosphono-3'-phenylcyclopropyl)glycine, the first class of 3'-substituted trans C1'-2'-2-(2'-phosphonocyclopropyl)glycines.EBI Bioorg Med Chem 15: 3161-70 (2007) Universit£ di Perugia 2D 3D TSV
17350261 16 Novel bis(indolyl)maleimide pyridinophanes that are potent, selective inhibitors of glycogen synthase kinase-3.EBI Bioorg Med Chem Lett 17: 2863-8 (2007) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
17350260 56 Discovery and biological evaluation of adamantyl amide 11beta-HSD1 inhibitors.EBI Bioorg Med Chem Lett 17: 2838-43 (2007) University of Edinburgh 2D 3D TSV
17350258 27 Lead optimization of methionine aminopeptidase-2 (MetAP2) inhibitors containing sulfonamides of 5,6-disubstituted anthranilic acids.BDB Bioorg Med Chem Lett 17: 2817-22 (2007) Abbott Laboratories 2D 3D TSV
17350257 54 Synthesis of enantiomerically pure milnacipran analogs and inhibition of dopamine, serotonin, and norepinephrine transporters.EBI Bioorg Med Chem Lett 17: 2834-7 (2007) University of Oslo 2D 3D TSV
17350253 51 Identification of diamino chromone-2-carboxamides as MCHr1 antagonists with minimal hERG channel activity.EBI Bioorg Med Chem Lett 17: 2365-71 (2007) Abbott Laboratories 2D 3D TSV
17349719 94 3D-QSAR and molecular docking studies on benzothiazole derivatives as Candida albicans N-myristoyltransferase inhibitors.EBI Eur J Med Chem 42: 477-86 (2007) Second Military Medical University 2D 3D TSV
17349580 6 Structures of lung cancer-derived EGFR mutants and inhibitor complexes: mechanism of activation and insights into differential inhibitor sensitivity.BDB Cancer Cell 11: 217-27 (2007) Harvard Medical School 2D 3D TSV
17348638 25 Synthesis and pharmacological characterization of N3-substituted willardiine derivatives: role of the substituent at the 5-position of the uracil ring in the development of highly potent and selective GLUK5 kainate receptor antagonists.EBI J Med Chem 50: 1558-70 (2007) University Walk 2D 3D TSV
17348637 8 Cinnamoyl compounds as simple molecules that inhibit p300 histone acetyltransferase.EBI J Med Chem 50: 1973-7 (2007) Università di Roma La Sapienza 2D 3D TSV
17346963 12 Quercinol, an anti-inflammatory chromene from the wood-rotting fungus Daedalea quercina (Oak Mazegill).EBI Bioorg Med Chem Lett 17: 2558-60 (2007) Institute for Natural Product Research and Infection Biology 2D 3D TSV
17346962 17 Benzimidazol-2-yl or benzimidazol-2-ylthiomethyl benzoylguanidines as novel Na+/H+ exchanger inhibitors, synthesis and protection against ischemic-reperfusion injury.EBI Bioorg Med Chem Lett 17: 2430-3 (2007) China Pharmaceutical University 2D 3D TSV
17346959 14 Design and evaluation of 'Linkerless' hydroxamic acids as selective HDAC8 inhibitors.EBI Bioorg Med Chem Lett 17: 2874-8 (2007) Ithaca College 2D 3D TSV
17346859 13 Design, synthesis and melatoninergic activity of new unsubstituted and beta,beta'-difunctionalised 2,3-dihydro-1H-pyrrolo[3,2,1-ij]quinolin-6-alkanamides.EBI Eur J Med Chem 42: 1004-13 (2007) University of Athens 2D 3D TSV
17346079 1 Synthesis of valiolamine and some precursors for bioactive carbaglycosylamines from (-)-vibo-quercitol produced by biogenesis of myo-inositol.EBI J Nat Prod 70: 493-7 (2007) Keio University 2D 3D TSV
17343373 54 Carbonic anhydrase inhibitors: inhibition of isozymes I, II, and IX with triazole-linked O-glycosides of benzene sulfonamides.BDB J Med Chem 50: 1651-7 (2007) Griffith University 2D 3D TSV
17343372 143 Discovery of N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea (ABT-869), a 3-aminoindazole-based orally active multitargeted receptor tyrosine kinase inhibitor.EBI J Med Chem 50: 1584-97 (2007) Abbott Laboratories 2D 3D TSV
17343371 27 Identification and synthesis of a novel selective partial PPARdelta agonist with full efficacy on lipid metabolism in vitro and in vivo.EBI J Med Chem 50: 1495-503 (2007) Novo Nordisk A/S 2D 3D TSV
17341062 2 Nonprenylated rotenoids, a new class of potent breast cancer resistance protein inhibitors.EBI J Med Chem 50: 1933-8 (2007) UMR 5086 CNRS/Universit£ Lyon 1 2D 3D TSV
17341061 21 Structural and functional basis of cyclooxygenase inhibition.EBI J Med Chem 50: 1425-41 (2007) Institute for Chemical Biology and Center in Molecular Toxicology 2D 3D TSV
17339115 32 Heme oxygenase inhibition by 2-oxy-substituted 1-(1H-imidazol-1-yl)-4-phenylbutanes: effect of halogen substitution in the phenyl ring.EBI Bioorg Med Chem 15: 3225-34 (2007) Queen's University 2D 3D TSV
17339114 27 Further studies on the effect of lysine at the C-terminus of the Dmt-Tic opioid pharmacophore.EBI Bioorg Med Chem 15: 3143-51 (2007) University of Cagliari 2D 3D TSV
17339109 33 Synthesis and biological evaluation of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel PI3 kinase p110alpha inhibitors.EBI Bioorg Med Chem Lett 17: 2438-42 (2007) Astellas Pharma Inc. 2D 3D TSV
17338508 25 Factor Xa inhibitors: S1 binding interactions of a series of N-{(3S)-1-[(1S)-1-methyl-2-morpholin-4-yl-2-oxoethyl]-2-oxopyrrolidin-3-yl}sulfonamides.BDB J Med Chem 50: 1546-57 (2007) GSK 2D 3D TSV
17337342 20 Affinity-based ranking of ligands for DPP-4 from mixtures.BDB Bioorg Med Chem Lett 17: 2404-7 (2007) Merck Research Laboratories 2D 3D TSV
17337182 23 Potent and selective xanthine-based inhibitors of phosphodiesterase 5.EBI Bioorg Med Chem Lett 17: 2376-9 (2007) Novartis Institutes of Biomedical Research 2D 3D TSV
17336535 4 Structure-activity based study of the Smac-binding pocket within the BIR3 domain of XIAP.BDB Bioorg Med Chem 15: 2935-43 (2007) Princeton University 2D 3D TSV
17336523 13 The rational design of inhibitors of nitric oxide formation by inducible nitric oxide synthase.EBI Bioorg Med Chem Lett 17: 2505-8 (2007) Berlex Biosciences 2D 3D TSV
17336521 18 Isoform selective inhibition of STAT1 or STAT3 homo-dimerization via peptidomimetic probes: structural recognition of STAT SH2 domains.BDB Bioorg Med Chem Lett 17: 1875-8 (2007) Yale University 2D 3D TSV
17336520 16 Design and synthesis of novel heterobiaryl amides as metabotropic glutamate receptor subtype 5 antagonists.EBI Bioorg Med Chem Lett 17: 2074-9 (2007) National Institute on Drug Abuse 2D 3D TSV
17336065 12 Indole derivatives as potent inhibitors of 5-lipoxygenase: design, synthesis, biological evaluation, and molecular modeling.EBI Bioorg Med Chem Lett 17: 2414-20 (2007) Chinese Academy of Sciences 2D 3D TSV
17336064 44 Probing acid replacements of thiophene PTP1B inhibitors.EBI Bioorg Med Chem Lett 17: 2913-20 (2007) Wyeth Research 2D 3D TSV
17336062 3 Sulfonamide-related conformational effects and their importance in structure-based design.EBI Bioorg Med Chem Lett 17: 2931-4 (2007) GlaxoSmithKline 2D 3D TSV
17335185 21 Novel N-substituted indol-3-ylglyoxylamides probing the LDi and L1/L2 lipophilic regions of the benzodiazepine receptor site in search for subtype-selective ligands.EBI J Med Chem 50: 1627-34 (2007) Università di Pisa 2D 3D TSV
17335184 26 NO-donor COX-2 inhibitors. New nitrooxy-substituted 1,5-diarylimidazoles endowed with COX-2 inhibitory and vasodilator properties.EBI J Med Chem 50: 1449-57 (2007) Università degli Studi di Torino 2D 3D TSV
17335183 78 Inhibition of secreted phospholipase A2. 4-glycerol derivatives of 4,5-dihydro-3-(4-tetradecyloxybenzyl)-1,2,4-4H-oxadiazol-5-one with broad activities.EBI J Med Chem 50: 1618-26 (2007) Université Paris7-Denis Diderot 2D 3D TSV
17334377 23 Structure-guided development of affinity probes for tyrosine kinases using chemical genetics.EBI Nat Chem Biol 3: 229-38 (2007) University of California 2D 3D TSV
17331716 40 Tetrazole and ester substituted tetrahydoquinoxalines as potent cholesteryl ester transfer protein inhibitors.EBI Bioorg Med Chem Lett 17: 2608-13 (2007) Array BioPharma 2D 3D TSV
17331715 19 Synthesis, biological evaluation and structural determination of beta-aminoacyl-containing cyclic hydrazine derivatives as dipeptidyl peptidase IV (DPP-IV) inhibitors.EBI Bioorg Med Chem Lett 17: 2622-8 (2007) Korea Research Institute of Chemical Technology 2D 3D TSV
17329254 33 Bisphosphonates as inhibitors of Trypanosoma cruzi hexokinase: kinetic and metabolic studies.EBI J Biol Chem 282: 12377-87 (2007) Instituto Venezolano de Investigaciones Cient£ficas 2D 3D TSV
17329109 50 Modeling of human ghrelin receptor (hGHS-R1a) in its close state and validation by molecular docking.EBI Bioorg Med Chem 15: 3054-64 (2007) Universit£ degli Studi di Milano 2D 3D TSV
17329104 10 N-(3-(4-Hydroxyphenyl)-propenoyl)-amino acid tryptamides as SIRT2 inhibitors.EBI Bioorg Med Chem Lett 17: 2448-51 (2007) University of Kuopio 2D 3D TSV
17329101 53 Thienopyrimidinone bis-aminopyrrolidine ureas as potent melanin-concentrating hormone receptor-1 (MCH-R1) antagonists.EBI Bioorg Med Chem Lett 17: 2535-9 (2007) Neurocrine Biosciences Inc. 2D 3D TSV
17329100 34 Understanding the structural requirements of 4-anilidopiperidine analogues for biological activities at mu and delta opioid receptors.EBI Bioorg Med Chem Lett 17: 2161-5 (2007) University of Arizona 2D 3D TSV
17328534 16 Bis-cycloSal-d4T-monophosphates: drugs that deliver two molecules of bioactive nucleotides.EBI J Med Chem 50: 1335-46 (2007) University of Hamburg 2D 3D TSV
17328524 1 Synthesis and biological evaluation of [18F]bicalutamide, 4-[76Br]bromobicalutamide, and 4-[76Br]bromo-thiobicalutamide as non-steroidal androgens for prostate cancer imaging.EBI J Med Chem 50: 1028-40 (2007) University of Illinois 2D 3D TSV
17328523 36 Novel sigma receptor ligands: synthesis and biological profile.EBI J Med Chem 50: 951-61 (2007) University of Catania 2D 3D TSV
17326615 49 Novel selective inhibitors of the zinc plasmodial aminopeptidase PfA-M1 as potential antimalarial agents.EBI J Med Chem 50: 1322-34 (2007) Inserm 2D 3D TSV
17325024 6 Morin (3,5,7,2',4'-pentahydroxyflavone) exhibits potent inhibitory actions on urate transport by the human urate anion transporter (hURAT1) expressed in human embryonic kidney cells.EBI Drug Metab Dispos 35: 981-6 (2007) The Chinese University of Hong Kong 2D 3D TSV
17324932 14 Structure-based design, synthesis, evaluation, and crystal structures of transition state analogue inhibitors of inosine monophosphate cyclohydrolase.BDB J Biol Chem 282: 13033-46 (2007) The Scripps Research Institute 2D 3D TSV
17324575 133 Novel selective human mitochondrial kinase inhibitors: design, synthesis and enzymatic activity.EBI Bioorg Med Chem 15: 3065-81 (2007) University of Ferrara 2D 3D TSV
17323938 50 Small molecule inhibitors of histone arginine methyltransferases: homology modeling, molecular docking, binding mode analysis, and biological evaluations.EBI J Med Chem 50: 1241-53 (2007) Universit£ degli Studi di Roma La Sapienza 2D 3D TSV
17323937 12 From five- to six-membered rings: 3,4-diarylquinolinone as lead for novel p38MAP kinase inhibitors.EBI J Med Chem 50: 1213-21 (2007) Eberhard-Karls-University Tübingen 2D 3D TSV
17321742 12 Identification, synthesis, and biological evaluation of novel pyrazoles as low molecular weight luteinizing hormone receptor agonists.EBI Bioorg Med Chem Lett 17: 2080-5 (2007) Merck Serono Geneva Research Center 2D 3D TSV
17321139 48 Novel class of arylpiperazines containing N-acylated amino acids: their synthesis, 5-HT1A, 5-HT2A receptor affinity, and in vivo pharmacological evaluation.EBI Bioorg Med Chem 15: 2907-19 (2007) Université Montpellier I et II 2D 3D TSV
17320401 13 1-(5-Carboxy- and 5-carbamoylindol-1-yl)propan-2-ones as inhibitors of human cytosolic phospholipase A2alpha: bioisosteric replacement of the carboxylic acid and carboxamide moiety.EBI Bioorg Med Chem 15: 2883-91 (2007) University of Münster 2D 3D TSV
17319653 10 Calcitonin gene-related peptide analogues with aza and indolizidinone amino acid residues reveal conformational requirements for antagonist activity at the human calcitonin gene-related peptide 1 receptor.EBI J Med Chem 50: 1401-8 (2007) Université de Montréal 2D 3D TSV
17317569 7 High-throughput screening for human lysosomal beta-N-Acetyl hexosaminidase inhibitors acting as pharmacological chaperones.BDB Chem Biol 14: 153-64 (2007) Research Institute, Hospital for Sick Children 2D 3D TSV
17317193 14 Acridone derivatives: design, synthesis, and inhibition of breast cancer resistance protein ABCG2.EBI Bioorg Med Chem 15: 2892-7 (2007) UMR 5063 CNRS/Universit£ Joseph Fourier-Grenoble I 2D 3D TSV
17317182 36 Synthesis and biological study of 2-amino-4-aryl-5-chloropyrimidine analogues as inhibitors of VEGFR-2 and cyclin dependent kinase 1 (CDK1).EBI Bioorg Med Chem Lett 17: 2179-83 (2007) Johnson & Johnson Pharmaceutical Research & Development 2D 3D TSV
17317181 9 1,2,3-Triazolylalkylribitol derivatives as nucleoside hydrolase inhibitors.EBI Bioorg Med Chem Lett 17: 2523-6 (2007) University of Antwerp 2D 3D TSV
17317180 4 Sesterterpene sulfates as isocitrate lyase inhibitors from tropical sponge Hippospongia sp.EBI Bioorg Med Chem Lett 17: 2483-6 (2007) Korea Ocean Research and Development Institute 2D 3D TSV
17317177 69 Pyrrolidino-tetrahydroisoquinolines as potent dual H3 antagonist and serotonin transporter inhibitors.EBI Bioorg Med Chem Lett 17: 2603-7 (2007) Johnson & Johnson Pharmaceutical Research and Development L.L.C. 2D 3D TSV
17317173 6 Synthesis and in vitro evaluation of tetrahydroisoquinolinyl benzamides as ligands for sigma receptors.EBI Bioorg Med Chem Lett 17: 2594-7 (2007) University of Missouri-Columbia 2D 3D TSV
17317172 9 Methyl 2-(2-(4-formylphenoxy)acetamido)-2-substituted acetate derivatives: a new class of acetylcholinesterase inhibitors.EBI Bioorg Med Chem Lett 17: 2123-5 (2007) Sun Yat-sen University 2D 3D TSV
17317171 91 M4 agonists/5HT7 antagonists with potential as antischizophrenic drugs: serominic compounds.EBI Bioorg Med Chem Lett 17: 2649-55 (2007) University of Strathclyde 2D 3D TSV
17317170 8 Optimization of halopemide for phospholipase D2 inhibition.EBI Bioorg Med Chem Lett 17: 2310-1 (2007) Novartis Institutes for BioMedical Research 2D 3D TSV
17317169 37 Discovery and initial SAR of 3-(1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-ones as inhibitors of insulin-like growth factor 1-receptor (IGF-1R).EBI Bioorg Med Chem Lett 17: 2317-21 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17317167 50 Parallel synthesis and SAR study of novel oxa-steroids as potent and selective progesterone receptor antagonists.EBI Bioorg Med Chem Lett 17: 2531-4 (2007) Johnson and Johnson Pharmaceutical Research and Development 2D 3D TSV
17317165 77 Novel 2-aminobenzothiazoles as selective neuronal nitric oxide synthase inhibitors.EBI Bioorg Med Chem Lett 17: 2540-4 (2007) NeurAxon Inc. 2D 3D TSV
17317162 60 [(S)-gamma-(4-Aryl-1-piperazinyl)-l-prolyl]thiazolidines as a novel series of highly potent and long-lasting DPP-IV inhibitors.EBI Bioorg Med Chem Lett 17: 2618-21 (2007) Mitsubishi Pharma Corporation 2D 3D TSV
17316915 7 Relationship between quantum-chemical descriptors of proton dissociation and experimental acidity constants of various hydroxylated coumarins. Identification of the biologically active species for xanthine oxidase inhibition.EBI Eur J Med Chem 42: 1028-31 (2007) Università di Modena e Reggio Emilia 2D 3D TSV
17316913 15 Asymmetric synthesis of chiral piperazinylpropylisoxazoline ligands for dopamine receptors.EBI Eur J Med Chem 42: 1044-8 (2007) Sungshin Women's University 2D 3D TSV
17316912 63 Synthesis and biological activity of oxytocin analogues containing conformationally-restricted residues in position 7.EBI Eur J Med Chem 42: 799-806 (2007) University of Patras 2D 3D TSV
17316052 74 Generation of oxamic acid libraries: antimalarials and inhibitors of Plasmodium falciparum lactate dehydrogenase.BDB J Comb Chem 9: 292-300 University of Mississippi 2D 3D TSV
17315988 80 Design, synthesis, and activity of 2-imidazol-1-ylpyrimidine derived inducible nitric oxide synthase dimerization inhibitors.EBI J Med Chem 50: 1146-57 (2007) Berlex Biosciences 2D 3D TSV
17315987 268 Discovery of (R)-9-ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol- 6(2H)-one, a selective, orally active agonist of the 5-HT(2C) receptor.EBI J Med Chem 50: 1365-79 (2007) Pharmaceutical Research Institute 2D 3D TSV
17315860 40 Dicarba analogues of the cyclic enkephalin peptides H-Tyr-c[D-Cys-Gly-Phe-D(or L)-Cys]NH(2) retain high opioid activity.EBI J Med Chem 50: 1414-7 (2007) Clinical Research Institute of Montreal 2D 3D TSV
17315857 11 Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase.BDB J Med Chem 50: 1124-32 (2007) Astex 2D 3D TSV
17315856 5 Application of fragment screening by X-ray crystallography to beta-secretase.BDB J Med Chem 50: 1116-23 (2007) Astex 2D 3D TSV
17315855 7 Synthesis and biological evaluation of selective aromatase expression regulators in breast cancer cells.EBI J Med Chem 50: 1635-44 (2007) The Ohio State University 2D 3D TSV
17315853 14 Homology modeling of human Fyn kinase structure: discovery of rosmarinic acid as a new Fyn kinase inhibitor and in silico study of its possible binding modes.EBI J Med Chem 50: 1090-100 (2007) GlaxoSmithKline Research Centre Zagreb 2D 3D TSV
17314045 11 Phosph(on)ate as a zinc-binding group in metalloenzyme inhibitors: X-ray crystal structure of the antiviral drug foscarnet complexed to human carbonic anhydrase I.EBI Bioorg Med Chem Lett 17: 2210-5 (2007) Universit£ degli Studi di Firenze 2D 3D TSV
17314044 100 2,5-Disubstituted pyridines: the discovery of a novel series of 5-HT2A ligands.EBI Bioorg Med Chem Lett 17: 2643-8 (2007) Merck Sharp and Dohme 2D 3D TSV
17314043 38 CCR5 receptor antagonists: discovery and SAR of novel 4-hydroxypiperidine derivatives.EBI Bioorg Med Chem Lett 17: 1883-7 (2007) Berlex Biosciences 2D 3D TSV
17314042 40 Novel selective human melanocortin-3 receptor ligands: use of the 4-amino-1,2,4,5-tetrahydro-2-benzazepin-3-one (Aba) scaffold.EBI Bioorg Med Chem Lett 17: 2492-8 (2007) Vrije Universiteit Brussel 2D 3D TSV
17311923 1 Guanidinylated neomycin delivers large, bioactive cargo into cells through a heparan sulfate-dependent pathway.EBI J Biol Chem 282: 13585-91 (2007) University of California 2D 3D TSV
17311911 2 Identification of anesthetic binding sites on human serum albumin using a novel etomidate photolabel.EBI J Biol Chem 282: 12038-47 (2007) Imperial College 2D 3D TSV
17311371 13 Identification of nonpeptide CCR5 receptor agonists by structure-based virtual screening.EBI J Med Chem 50: 1294-303 (2007) CNRS UMR 7175-LC1 2D 3D TSV
17309246 108 N6-methoxy-2-alkynyladenosine derivatives as highly potent and selective ligands at the human A3 adenosine receptor.EBI J Med Chem 50: 1222-30 (2007) Universit£ di Camerino 2D 3D TSV
17307360 20 Novel malonamide derivatives as potent kappa opioid receptor agonists.EBI Bioorg Med Chem Lett 17: 1951-5 (2007) Adolor Corporation 2D 3D TSV
17307358 81 Novel naphthyridines are histamine H3 antagonists and serotonin reuptake transporter inhibitors.EBI Bioorg Med Chem Lett 17: 2566-9 (2007) Johnson & Johnson Pharmaceutical Research & Development L.L.C. 2D 3D TSV
17306981 8 Novel 3-iodo-8-ethoxypyrazolo[5,1-c][1,2,4]benzotriazine 5-oxide as promising lead for design of alpha5-inverse agonist useful tools for therapy of mnemonic damage.EBI Bioorg Med Chem 15: 2573-86 (2007) Università degli Studi di Firenze 2D 3D TSV
17306548 84 N(6)-[(hetero)aryl/(cyclo)alkyl-carbamoyl-methoxy-phenyl]-(2-chloro)-5'-N-ethylcarboxamido-adenosines: the first example of adenosine-related structures with potent agonist activity at the human A(2B) adenosine receptor.EBI Bioorg Med Chem 15: 2514-27 (2007) Universit£ di Ferrara 2D 3D TSV
17306530 48 Pharmacophore modeling and in silico screening for new KDR kinase inhibitors.EBI Bioorg Med Chem Lett 17: 2126-33 (2007) Shanghai Jiaotong University 2D 3D TSV
17305327 5 Synthesis, affinity profile, and functional activity of muscarinic antagonists with a 1-methyl-2-(2,2-alkylaryl-1,3-oxathiolan-5-yl)pyrrolidine structure.EBI J Med Chem 50: 1409-13 (2007) Universit£ di Firenze 2D 3D TSV
17305324 38 Discovery of Ecopladib, an indole inhibitor of cytosolic phospholipase A2alpha.EBI J Med Chem 50: 1380-400 (2007) Wyeth Research 2D 3D TSV
17303428 22 Novel chiral isoxazole derivatives: synthesis and pharmacological characterization at human beta-adrenergic receptor subtypes.EBI Bioorg Med Chem 15: 2533-43 (2007) Università degli Studi di Milano 2D 3D TSV
17303421 56 Synthesis and activity of quinolinyl-methylene-thiazolinones as potent and selective cyclin-dependent kinase 1 inhibitors.EBI Bioorg Med Chem Lett 17: 2134-8 (2007) Roche Research Center 2D 3D TSV
17303420 24 The synthesis and biological evaluation of novel series of nitrile-containing fluoroquinolones as antibacterial agents.EBI Bioorg Med Chem Lett 17: 2150-5 (2007) Pfizer Global Research and Development 2D 3D TSV
17303418 8 Convenient synthesis and in vitro pharmacological activity of 2-thioanalogs of salvinorins A and B.EBI Bioorg Med Chem Lett 17: 2229-32 (2007) University of Mississippi 2D 3D TSV
17303416 23 Quinoxalinylurea derivatives as a novel class of JSP-1 inhibitors.EBI Bioorg Med Chem Lett 17: 2118-22 (2007) Chinese Academy of Sciences 2D 3D TSV
17302398 33 Molecular modeling of the human P2Y2 receptor and design of a selective agonist, 2'-amino-2'-deoxy-2-thiouridine 5'-triphosphate.EBI J Med Chem 50: 1166-76 (2007) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
17302397 113 Rational design of novel, potent small molecule pan-selectin antagonists.EBI J Med Chem 50: 1101-15 (2007) Revotar Biopharmaceuticals AG 2D 3D TSV
17300186 62 Flipped out: structure-guided design of selective pyrazolylpyrrole ERK inhibitors.BDB J Med Chem 50: 1280-7 (2007) Vertex 2D 3D TSV
17300167 8 N-(5-Fluoro-2-phenoxyphenyl)-N-(2-[(131)I]iodo-5-me thoxybenzyl)acetamide: a potent iodinated radioligand for the peripheral-type benzodiazepine receptor in brain.EBI J Med Chem 50: 848-55 (2007) National Institute of Radiological Sciences 2D 3D TSV
17300166 88 Design and synthesis of the first selective agonists for the rat vasopressin V(1b) receptor: based on modifications of deamino-[Cys1]arginine vasopressin at positions 4 and 8.EBI J Med Chem 50: 835-47 (2007) INSERM 2D 3D TSV
17300165 39 2,6,8-trisubstituted 1-deazapurines as adenosine receptor antagonists.EBI J Med Chem 50: 828-34 (2007) Leiden/Amsterdam Center for Drug Research 2D 3D TSV
17300164 62 Discovery of a potent and selective prostaglandin D2 receptor antagonist, [(3R)-4-(4-chloro-benzyl)-7-fluoro-5-(methylsulfonyl)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl]-acetic acid (MK-0524).EBI J Med Chem 50: 794-806 (2007) Merck Frosst Canada & Co. 2D 3D TSV
17300163 9 Design, synthesis, and crystal structure of hydroxyethyl secondary amine-based peptidomimetic inhibitors of human beta-secretase.BDB J Med Chem 50: 776-81 (2007) Elan Pharmaceuticals 2D 3D TSV
17300162 23 Inhibitors of bacterial cystathionine beta-lyase: leads for new antimicrobial agents and probes of enzyme structure and function.EBI J Med Chem 50: 755-64 (2007) McMaster University 2D 3D TSV
17298049 28 N-{3-[2-(4-alkoxyphenoxy)thiazol-5-yl]-1-methylprop-2-ynyl}carboxy derivatives as acetyl-coA carboxylase inhibitors--improvement of cardiovascular and neurological liabilities via structural modifications.EBI J Med Chem 50: 1078-82 (2007) Abbott Laboratories 2D 3D TSV
17298046 12 Synthesis and preliminary evaluation of 18F- or 11C-labeled bicyclic nucleoside analogues as potential probes for imaging varicella-zoster virus thymidine kinase gene expression using positron emission tomography.EBI J Med Chem 50: 1041-9 (2007) K.U. Leuven 2D 3D TSV
17298045 8 22-Alkyl-20-epi-1alpha,25-dihydroxyvitamin D3 compounds of superagonistic activity: syntheses, biological activities and interaction with the receptor.EBI J Med Chem 50: 932-9 (2007) Tokyo Medical and Dental University 2D 3D TSV
17296300 14 Amphipathic benzoic acid derivatives: synthesis and binding in the hydrophobic tunnel of the zinc deacetylase LpxC.BDB Bioorg Med Chem 15: 2617-23 (2007) University of San Francisco 2D 3D TSV
17293875 3 TRPM8 voltage sensor mutants reveal a mechanism for integrating thermal and chemical stimuli.EBI Nat Chem Biol 3: 174-82 (2007) KU Leuven 2D 3D TSV
17293454 7 An in vitro and in vivo disconnect uncovered through high-throughput identification of botulinum neurotoxin A antagonists.BDB Proc Natl Acad Sci U S A 104: 2602-7 (2007) The Scripps Research Institute 2D 3D TSV
17293140 160 3D QSAR studies on a series of potent and high selective inhibitors for three kinases of RTK family.EBI J Mol Graph Model 26: 236-45 (2007) Dalian University 2D 3D TSV
17293118 30 Design and synthesis of new potent dipeptidyl peptidase IV inhibitors with enhanced ex vivo duration.EBI Bioorg Med Chem 15: 2631-50 (2007) Minase Research Institute 2D 3D TSV
17293109 69 Substituted acyclic sulfonamides as human cannabinoid-1 receptor inverse agonists.EBI Bioorg Med Chem Lett 17: 2184-7 (2007) Merck Research Laboratories 2D 3D TSV
17292611 21 Design and synthesis of long-acting inhibitors of dipeptidyl peptidase IV.EBI Bioorg Med Chem 15: 2715-35 (2007) Minase Research Institute 2D 3D TSV
17292610 17 Design, synthesis, and evaluation of non-steroidal farnesoid X receptor (FXR) antagonist.BDB Bioorg Med Chem 15: 2587-600 (2007) University of Tokyo 2D 3D TSV
17292608 48 Tandem optimization of target activity and elimination of mutagenic potential in a potent series of N-aryl bicyclic hydantoin-based selective androgen receptor modulators.EBI Bioorg Med Chem Lett 17: 1860-4 (2007) Pharmaceutical Research Institute 2D 3D TSV
17292607 12 A long-acting selective neuropeptide Y2 receptor PEGylated peptide agonist reduces food intake in mice.EBI Bioorg Med Chem Lett 17: 1916-9 (2007) Bayer Pharmaceuticals Corporation 2D 3D TSV
17292606 91 Discovery of tertiary aminoacids as dual PPARalpha/gamma agonists-I.EBI Bioorg Med Chem Lett 17: 2312-6 (2007) Bristol-Myers Squibb Pharmaceutical Research Institute 2D 3D TSV
17291769 133 Clubbed thiazoles by MAOS: a novel approach to cyclin-dependent kinase 5/p25 inhibitors as a potential treatment for Alzheimer's disease.EBI Bioorg Med Chem 15: 2601-10 (2007) Dr. Reddys Laboratories 2D 3D TSV
17291750 93 Optimization of 1,4-diazepan-2-one containing dipeptidyl peptidase IV inhibitors for the treatment of type 2 diabetes.BDB Bioorg Med Chem Lett 17: 1903-7 (2007) Merck Research Laboratories 2D 3D TSV
17291041 7 Potential cancer chemopreventive in vitro activities of monomeric xanthone derivatives from the marine algicolous fungus Monodictys putredinis.EBI J Nat Prod 70: 353-60 (2007) University of Bonn 2D 3D TSV
17290978 101 Selective NR1/2B N-methyl-D-aspartate receptor antagonists among indole-2-carboxamides and benzimidazole-2-carboxamides.EBI J Med Chem 50: 901-14 (2007) Gedeon Richter Ltd. 2D 3D TSV
17289388 8 Evaluation of the anti-hepatitis C virus effect of novel potent, selective, and orally bioavailable JNK and VEGFR kinase inhibitors.EBI Bioorg Med Chem Lett 17: 1843-9 (2007) Tibotec BVBA 2D 3D TSV
17289386 10 Inhibition of cancer cell adhesion by heterochiral Pro-containing RGD mimetics.EBI Bioorg Med Chem Lett 17: 2329-33 (2007) Universit£ degli Studi di Bologna 2D 3D TSV
17289385 50 Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha.EBI Bioorg Med Chem Lett 17: 2322-8 (2007) Merck Research Laboratories 2D 3D TSV
17289383 157 Synthesis and structure-activity relationships of N-substituted spiropiperidines as nociceptin receptor ligands.EBI Bioorg Med Chem Lett 17: 2281-4 (2007) Schering Plough Research Institute 2D 3D TSV
17289381 30 Novel thiol-based TACE inhibitors: rational design, synthesis, and SAR of thiol-containing aryl sulfonamides.BDB Bioorg Med Chem Lett 17: 2250-3 (2007) Vertex Pharmaceuticals 2D 3D TSV
17287122 79 Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.EBI Bioorg Med Chem 15: 2759-67 (2007) Abbott Laboratories 2D 3D TSV
17286392 1 Synthesis and characterization of a platinum(II) complex tethered to a ligand of the peripheral benzodiazepine receptor.EBI J Med Chem 50: 1019-27 (2007) Università degli Studi di Bari 2D 3D TSV
17284021 10 Conformationally constrained analogues of diacylglycerol (DAG). 27. Modulation of membrane translocation of protein kinase C (PKC) isozymes alpha and delta by diacylglycerol lactones (DAG-lactones) containing rigid-rod acyl groups.EBI J Med Chem 50: 962-78 (2007) National Cancer Institute-Frederick 2D 3D TSV
17280833 52 Discovery of 4-amino-5,6-biaryl-furo[2,3-d]pyrimidines as inhibitors of Lck: development of an expedient and divergent synthetic route and preliminary SAR.EBI Bioorg Med Chem Lett 17: 2305-9 (2007) Amgen Inc. 2D