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| PMID | Data | Article Title | Citation | Organization | Data Download |
|---|---|---|---|---|---|
| 20980155 | 24 | Developing dual functional allosteric modulators of GABA(A) receptors. |
Bioorg Med Chem 18: 8374-82 (2010) | AstraZeneca Pharmaceuticals | 2D 3D TSV |
| 20980154 | 11 | Virtual screening against nuclear factor¿B (NF-¿B) of a focus library: Identification of bioactive furocoumarin derivatives inhibiting NF-¿B dependent biological functions involved in cystic fibrosis. |
Bioorg Med Chem 18: 8341-9 (2010) | BioPharmaNet | 2D 3D TSV |
| 20980153 | 83 | Synthesis and structure-activity studies of benzyl ester meperidine and normeperidine derivatives as selective serotonin transporter ligands. |
Bioorg Med Chem 18: 8356-64 (2010) | University of New Orleans | 2D 3D TSV |
| 20979417 | 83 | 4-Oxo-1,4-dihydropyridines as selective CB2 cannabinoid receptor ligands: structural insights into the design of a novel inverse agonist series. |
J Med Chem 53: 7918-31 (2010) | Universite£? Lille-Nord de France | 2D 3D TSV |
| 20979384 | 35 | Characterization of nicotinamidases: steady state kinetic parameters, classwide inhibition by nicotinaldehydes, and catalytic mechanism. |
Biochemistry 49: 10421-39 (2010) | Cornell University | 2D 3D TSV |
| 20979364 | 40 | Novela3ß4 nicotinic acetylcholine receptor-selective ligands. Discovery, structure-activity studies, and pharmacological evaluation. |
J Med Chem 53: 8187-91 (2010) | SRI International | 2D 3D TSV |
| 20977238 | 46 | Bicyclic substituted hydroxyphenylmethanones as novel inhibitors of 17ß-hydroxysteroid dehydrogenase type 1 (17ß-HSD1) for the treatment of estrogen-dependent diseases. |
J Med Chem 53: 8176-86 (2010) | Saarland University | 2D 3D TSV |
| 20974533 | 99 | Substituted N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 ion channel blockers. Part 2. |
Bioorg Med Chem Lett 20: 6989-92 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20974532 | 57 | Discovery of benzoylisoindolines as a novel class of potent, selective and orally active GlyT1 inhibitors. |
Bioorg Med Chem Lett 20: 6960-5 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20974503 | 13 | Synthesis and biological evaluation of N-substituted-3,5-diphenyl-2-pyrazoline derivatives as cyclooxygenase (COX-2) inhibitors. |
Eur J Med Chem 45: 6135-8 (2010) | Sapienza University of Rome | 2D 3D TSV |
| 20973548 | 17 | Furan-2,5-dimethylene-tethered bis-imidacloprid insecticide conferring high potency. |
J Agric Food Chem 58: 11832-6 (2010) | Gifu University | 2D 3D TSV |
| 20973483 | 2 | In vivo characterization of a dual adenosine A2A/A1 receptor antagonist in animal models of Parkinson's disease. |
J Med Chem 53: 8104-15 (2010) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 20971650 | 26 | Discovery and synthesis of novel luteolin derivatives as DAT agonists. |
Bioorg Med Chem 18: 7842-8 (2010) | Zhengzhou University | 2D 3D TSV |
| 20971647 | 12 | Towards a stable noeuromycin analog with a D-manno configuration: synthesis and glycosidase inhibition of D-manno-like tri- and tetrahydroxylated azepanes. |
Bioorg Med Chem 20: 641-9 (2012) | UMR CNRS 7201 | 2D 3D TSV |
| 20971642 | 59 | N-{3-[(1,1-dioxido-1,2-benzothiazol-3-yl)(phenyl)amino]propyl}benzamide analogs as potent Kv1.3 inhibitors. Part 1. |
Bioorg Med Chem Lett 20: 6983-8 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20971641 | 53 | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. |
Bioorg Med Chem Lett 20: 7037-41 (2010) | Array BioPharma Inc | 2D 3D TSV |
| 20971005 | 10 | Receptor agonists of macrophage migration inhibitory factor. |
Bioorg Med Chem Lett 20: 7033-6 (2010) | Yale University | 2D 3D TSV |
| 20971004 | 126 | Synthesis and characterization of 1,3-dihydro-benzo[b][1,4]diazepin-2-one derivatives: Part 4. In vivo active potent and selective non-competitive metabotropic glutamate receptor 2/3 antagonists. |
Bioorg Med Chem Lett 20: 6969-74 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20971003 | 50 | N-substituted pyrrolidines and tetrahydrofurans as novel AMPAR positive modulators. |
Bioorg Med Chem Lett 20: 7116-9 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20971001 | 45 | Indazole derivatives as novel bradykinin B1 receptor antagonists. |
Bioorg Med Chem Lett 20: 7011-4 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20971000 | 76 | The synthesis and SAR of novel diarylsulfone 11ß-HSD1 inhibitors. |
Bioorg Med Chem Lett 20: 7071-5 (2010) | Amgen Inc | 2D 3D TSV |
| 20970895 | 4 | 2-Azetidinone--a new profile of various pharmacological activities. |
Eur J Med Chem 45: 5541-60 (2010) | Barkatullah University | 2D 3D TSV |
| 20970346 | 10 | Probing the active-site requirements of human intestinal N-terminal maltase-glucoamylase: Synthesis and enzyme inhibitory activities of a six-membered ring nitrogen analogue of kotalanol and its de-O-sulfonated derivative. |
Bioorg Med Chem 18: 7794-8 (2010) | Simon Fraser University | 2D 3D TSV |
| 20970329 | 8 | Sulfonamide derivatives of styrylheterocycles as a potent inhibitor of COX-2-mediated prostaglandin E2 production. |
Bioorg Med Chem Lett 20: 6938-41 (2010) | Seoul National University | 2D 3D TSV |
| 20970223 | 10 | Synthesis and biological evaluation of some thiazolylpyrazole derivatives as dual anti-inflammatory antimicrobial agents. |
Eur J Med Chem 45: 6027-38 (2010) | Alexandria University | 2D 3D TSV |
| 20966043 | 200 | Identification of clinically used drugs that activate pregnane X receptors. |
Drug Metab Dispos 39: 151-9 (2010) | National Institutes of Health Chemical Genomics Center | 2D 3D TSV |
| 20965739 | 66 | Conformationally constrained NR2B selective NMDA receptor antagonists derived from ifenprodil: Synthesis and biological evaluation of tetrahydro-3-benzazepine-1,7-diols. |
Bioorg Med Chem 18: 8005-15 (2010) | Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster | 2D 3D TSV |
| 20965738 | 78 | Discovery and biological evaluation of potent, selective, orally bioavailable, pyrazine-based blockers of the Na(v)1.8 sodium channel with efficacy in a model of neuropathic pain. |
Bioorg Med Chem 18: 7816-25 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20965735 | 5 | Synthesis and SAR studies of chiral non-racemic dexoxadrol analogues as uncompetitive NMDA receptor antagonists. |
Bioorg Med Chem 18: 7855-67 (2010) | Institut für Pharmazeutische und Medizinische Chemie der Westfälischen Wilhelms-Universität Münster | 2D 3D TSV |
| 20965726 | 20 | 5-benzyloxytryptamine as an antagonist of TRPM8. |
Bioorg Med Chem Lett 20: 7076-9 (2010) | Renovis Inc | 2D 3D TSV |
| 20965724 | 57 | Identification of potent ITK inhibitors through focused compound library design including structural information. |
Bioorg Med Chem Lett 20: 6998-7003 (2010) | Nycomed GmbH | 2D 3D TSV |
| 20965620 | 50 | Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs). |
Eur J Med Chem 45: 5919-25 (2010) | ProtEra s.r.l. | 2D 3D TSV |
| 20964319 | 7 | Citrusosides A-D and furanocoumarins with cholinesterase inhibitory activity from the fruit peels of Citrus hystrix. |
J Nat Prod 73: 1879-83 (2010) | Ramkhamhaeng University | 2D 3D TSV |
| 20964318 | 4 | Synthesis and biological evaluation of oleanolic acid derivatives as inhibitors of protein tyrosine phosphatase 1B. |
J Nat Prod 73: 1743-50 (2010) | Xihua University | 2D 3D TSV |
| 20962348 | 17 | Probing the active site of the deoxynucleotide N-hydrolase Rcl encoded by the rat gene c6orf108. |
J Biol Chem 285: 41806-14 (2010) | Institut Pasteur | 2D 3D TSV |
| 20961766 | 6 | Studies toward the structural optimization of novel thiazolylhydrazone-based potent antitrypanosomal agents. |
Bioorg Med Chem 18: 7826-35 (2010) | Federal University of Pernambuco | 2D 3D TSV |
| 20961756 | 61 | 5-(pyridinon-1-yl)indazoles and 5-(furopyridinon-5-yl)indazoles as MCH-1 antagonists. |
Bioorg Med Chem Lett 20: 7015-9 (2010) | AMRI | 2D 3D TSV |
| 20961755 | 5 | Highly brominated metabolites from marine red alga Laurencia similis inhibit protein tyrosine phosphatase 1B. |
Bioorg Med Chem Lett 20: 7152-4 (2010) | Jilin University | 2D 3D TSV |
| 20961149 | 25 | Design and synthesis of tetrahydropyridothieno[2,3-d]pyrimidine scaffold based epidermal growth factor receptor (EGFR) kinase inhibitors: the role of side chain chirality and Michael acceptor group for maximal potency. |
J Med Chem 53: 7316-26 (2010) | National Health Research Institutes | 2D 3D TSV |
| 20961090 | 6 | Ipomotaosides A-D, resin glycosides from the aerial parts of Ipomoea batatas and their inhibitory activity against COX-1 and COX-2. |
J Nat Prod 73: 1763-6 (2010) | Tokushima Bunri University | 2D 3D TSV |
| 20961062 | 42 | Indazolylpyrazolopyrimidine as highly potent B-Raf inhibitors with in vivo activity. |
J Med Chem 53: 7874-8 (2010) | Pfizer Inc | 2D 3D TSV |
| 20959871 | 2 | Identification of a Natural Product Antagonist against the Botulinum Neurotoxin Light Chain Protease. |
ACS Med Chem Lett 1: 268-272 (2010) | TBA | 2D 3D TSV |
| 20958055 | 133 | Exploration of the active site of neuronal nitric oxide synthase by the design and synthesis of pyrrolidinomethyl 2-aminopyridine derivatives. |
J Med Chem 53: 7804-24 (2010) | Northwestern University | 2D 3D TSV |
| 20958050 | 57 | Structure-based design, synthesis, and structure-activity relationship studies of HIV-1 protease inhibitors incorporating phenyloxazolidinones. |
J Med Chem 53: 7699-708 (2010) | University of Massachusetts Medical School | 2D 3D TSV |
| 20958049 | 12 | Development, validation, and use of quantitative structure-activity relationship models of 5-hydroxytryptamine (2B) receptor ligands to identify novel receptor binders and putative valvulopathic compounds among common drugs. |
J Med Chem 53: 7573-86 (2010) | University of North Carolina at Chapel Hill | 2D 3D TSV |
| 20954731 | 18 | Properties and synthesis of 2-{2-fluoro (or bromo)-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low membrane permeabilizing and gastric lesion-producing activities. |
J Med Chem 53: 7879-82 (2010) | Kumamoto University | 2D 3D TSV |
| 20954721 | 12 | Triterpenoidal alkaloids from Buxus natalensis and their acetylcholinesterase inhibitory activity. |
J Nat Prod 73: 1858-62 (2010) | The University of Winnipeg | 2D 3D TSV |
| 20952196 | 20 | Pyrimidinylmethylphenyl glucoside as novel C-aryl glucoside SGLT2 inhibitors. |
Bioorg Med Chem Lett 20: 7046-9 (2010) | Green Cross Corporation | 2D 3D TSV |
| 20952195 | 62 | Tetrahydrocarboline analogs as MCH-1 antagonists. |
Bioorg Med Chem Lett 20: 7024-8 (2010) | AMRI | 2D 3D TSV |
| 20951595 | 1 | Ligand-based virtual screening and ADME-tox guided approach to identify triazolo-quinoxalines as folate cycle inhibitors. |
Bioorg Med Chem 18: 7773-85 (2010) | Università degli Studi di Perugia | 2D 3D TSV |
| 20951584 | 105 | 5-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-2(1H)-quinolinones and 3,4-dihydro-2(1H)-quinolinones: dual-acting 5-HT1 receptor antagonists and serotonin reuptake inhibitors. Part 3. |
Bioorg Med Chem Lett 20: 7092-6 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20951583 | 2 | Antimalarial histone deacetylase inhibitors containing cinnamate or NSAID components. |
Bioorg Med Chem Lett 20: 7080-4 (2010) | The University of Queensland | 2D 3D TSV |
| 20951473 | 10 | Design, synthesis and inhibitory activity against Mycobacterium tuberculosis thymidine monophosphate kinase of acyclic nucleoside analogues with a distal imidazoquinolinone. |
Eur J Med Chem 45: 5910-8 (2010) | Instituto de Qu£mica M£dica (CSIC) | 2D 3D TSV |
| 20951039 | 30 | Synthesis and structure-activity relationships of tyrosine-based inhibitors of autotaxin (ATX). |
Bioorg Med Chem Lett 20: 7132-6 (2010) | University of Virginia | 2D 3D TSV |
| 20951038 | 3 | Small molecule inhibitors of hantavirus infection. |
Bioorg Med Chem Lett 20: 7085-91 (2010) | University of New Mexico School of Medicine | 2D 3D TSV |
| 20951037 | 25 | Substituted spiro [2.3'] oxindolespiro [3.2¿]-5,6-dimethoxy-indane-1¿-one-pyrrolidine analogue as inhibitors of acetylcholinesterase. |
Bioorg Med Chem Lett 20: 7064-6 (2010) | Universiti Sains Malaysia | 2D 3D TSV |
| 20951036 | 47 | Synthesis and SAR of 4-aryl-1-(indazol-5-yl)pyridin-2(1H)ones as MCH-1 antagonists for the treatment of obesity. |
Bioorg Med Chem Lett 20: 7020-3 (2010) | AMRI | 2D 3D TSV |
| 20951033 | 59 | Design, synthesis and SAR of a novel series of benzimidazoles as potent NPY Y5 antagonists. |
Bioorg Med Chem Lett 20: 7120-3 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20949929 | 63 | Conformationally restricted homotryptamines. Part 7: 3-cis-(3-aminocyclopentyl)indoles as potent selective serotonin reuptake inhibitors. |
J Med Chem 53: 7564-72 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20947362 | 3 | Synthesis, biological evaluation, and molecular docking studies of 2-chloropyridine derivatives possessing 1,3,4-oxadiazole moiety as potential antitumor agents. |
Bioorg Med Chem 18: 7836-41 (2010) | Nanjing University | 2D 3D TSV |
| 20947361 | 16 | The binding ofß-d-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors. |
Bioorg Med Chem 18: 7911-22 (2010) | National Hellenic Research Foundation | 2D 3D TSV |
| 20947360 | 7 | Structural insights into the hot spot amino acid residues of mushroom tyrosinase for the bindings of thujaplicins. |
Bioorg Med Chem 18: 8112-8 (2010) | Institute for Theoretical Medicine, Inc. | 2D 3D TSV |
| 20947359 | 18 | Synthesis and evaluation of pyrazolone compounds as SARS-coronavirus 3C-like protease inhibitors. |
Bioorg Med Chem 18: 7849-54 (2010) | Academia Sinica | 2D 3D TSV |
| 20947352 | 57 | Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrimido-[4,5-d]azepines as novel TRPV1 antagonists. |
Bioorg Med Chem Lett 20: 7137-41 (2010) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 20947351 | 24 | Inhibitors selective for HDAC6 in enzymes and cells. |
Bioorg Med Chem Lett 20: 7067-70 (2010) | The University of Queensland | 2D 3D TSV |
| 20947349 | 3 | A targeted low molecular weight near-infrared fluorescent probe for prostate cancer. |
Bioorg Med Chem Lett 20: 7124-6 (2010) | Washington State University | 2D 3D TSV |
| 20945906 | 33 | Diaryldiamines with dual inhibition of the histamine H(3) receptor and the norepinephrine transporter and the efficacy of 4-(3-(methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol in pain. |
J Med Chem 53: 7869-73 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20945905 | 4 | Design, synthesis, crystal structures, and antimicrobial activity of sulfonamide boronic acids asß-lactamase inhibitors. |
J Med Chem 53: 7852-63 (2010) | University of California San Francisco | 2D 3D TSV |
| 20943405 | 11 | Synthesis and evaluation of 5-substituted 9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as check point 1 kinase inhibitors. |
Bioorg Med Chem 18: 7878-89 (2010) | Hokkaido University | 2D 3D TSV |
| 20943404 | 24 | 1-Bromo-3-(1',1'-dimethylalkyl)-1-deoxy-¿(8)-tetrahydrocannabinols: New selective ligands for the cannabinoid CB(2) receptor. |
Bioorg Med Chem 18: 7809-15 (2010) | Clemson University | 2D 3D TSV |
| 20943397 | 18 | Molecular modeling study on potent and selective adenosine A(3) receptor agonists. |
Bioorg Med Chem 18: 7923-30 (2010) | University of Camerino | 2D 3D TSV |
| 20943396 | 5 | Anticonvulsant activity of 2,4(1H)-diarylimidazoles in mice and rats acute seizure models. |
Bioorg Med Chem 18: 7957-65 (2010) | Università degli Studi di Parma | 2D 3D TSV |
| 20943395 | 10 | 4-Phenylcoumarins from Mesua elegans with acetylcholinesterase inhibitory activity. |
Bioorg Med Chem 18: 7873-7 (2010) | University of Malaya | 2D 3D TSV |
| 20943391 | 24 | Design, synthesis and biological evaluation of quinoline amide derivatives as novel VEGFR-2 inhibitors. |
Bioorg Med Chem Lett 20: 6653-6 (2010) | Nanjing University | 2D 3D TSV |
| 20943390 | 40 | Synthesis and biological evaluation of [D-lysine]8cyclosporin A analogs as potential anti-HCV agents. |
Bioorg Med Chem Lett 20: 6542-6 (2010) | Scynexis Inc | 2D 3D TSV |
| 20943389 | 2 | Triazolyl tryptoline derivatives asß-secretase inhibitors. |
Bioorg Med Chem Lett 20: 6572-6 (2010) | Mahidol University | 2D 3D TSV |
| 20943388 | 3 | Detection of Rap1A as a yessotoxin binding protein from blood cell membranes. |
Bioorg Med Chem Lett 20: 6443-6 (2010) | Osaka University | 2D 3D TSV |
| 20943290 | 54 | Synthesis and biological evaluation of new N-alkyl 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides as cannabinoid receptor ligands. |
Eur J Med Chem 45: 5878-86 (2010) | Sapienza University of Rome | 2D 3D TSV |
| 20942472 | 88 | Novel spirotetracyclic zwitterionic dual H(1)/5-HT(2A) receptor antagonists for the treatment of sleep disorders. |
J Med Chem 53: 7778-95 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20942471 | 79 | First in class, potent, and orally bioavailable NADPH oxidase isoform 4 (Nox4) inhibitors for the treatment of idiopathic pulmonary fibrosis. |
J Med Chem 53: 7715-30 (2010) | Genkyotex S.A. | 2D 3D TSV |
| 20939767 | 13 | Synthesis and SAR comparative studies of 2-allyl-4-methoxy-1-alkoxybenzenes as 15-lipoxygenase inhibitors. |
J Enzyme Inhib Med Chem 26: 238-44 (2011) | Mashhad University of Medical Sciences | 2D 3D TSV |
| 20939765 | 96 | The inhibition study of human UDP-glucuronosyltransferases with cytochrome P450 selective substrates and inhibitors. |
J Enzyme Inhib Med Chem 26: 386-93 (2011) | Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences | 2D 3D TSV |
| 20939763 | 15 | Synthesis and biological evaluation of polyhydroxy benzophenone as mushroom tyrosinase inhibitors. |
J Enzyme Inhib Med Chem 26: 449-52 (2011) | Sun Yat-sen University | 2D 3D TSV |
| 20939540 | 6 | Isolation and characterization of minor analogues of silvestrol and other constituents from a large-scale re-collection of Aglaia foveolata. |
J Nat Prod 73: 1873-8 (2010) | The Ohio State University | 2D 3D TSV |
| 20937561 | 67 | Halogenation of 4-hydroxy/amino-3-methoxyphenyl acetamide TRPV1 agonists showed enhanced antagonism to capsaicin. |
Bioorg Med Chem 18: 8092-105 (2010) | Seoul National University | 2D 3D TSV |
| 20937560 | 54 | Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as selective human A(1) adenosine receptor ligands. |
Bioorg Med Chem 18: 7890-9 (2010) | Dipartimento di Scienze Farmaceutiche | 2D 3D TSV |
| 20936791 | 32 | A diverse series of substituted benzenesulfonamides as aldose reductase inhibitors with antioxidant activity: design, synthesis, and in vitro activity. |
J Med Chem 53: 7756-66 (2010) | Aristotle University of Thessaloniki | 2D 3D TSV |
| 20936789 | 56 | Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization. |
J Med Chem 53: 7682-98 (2010) | The Institute of Cancer Research | 2D 3D TSV |
| 20934874 | 16 | Synthesis and molecular modelling studies of prenylated pyrazolines as MAO-B inhibitors. |
Bioorg Med Chem Lett 20: 6479-82 (2010) | Sapienza University of Rome | 2D 3D TSV |
| 20934789 | 27 | Synthesis anda1-adrenoceptor antagonist activity of tamsulosin analogues. |
Eur J Med Chem 45: 5800-7 (2010) | Universit£ di Camerino | 2D 3D TSV |
| 20934348 | 8 | BACE1 inhibitory activities of enantiomerically pure, variously substituted N-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl) arylsulfonamides. |
Bioorg Med Chem 18: 7991-6 (2010) | University of Pisa | 2D 3D TSV |
| 20934346 | 46 | Design, synthesis and bioevaluation of dihydropyrazolo[3,4-b]pyridine and benzo[4,5]imidazo[1,2-a]pyrimidine compounds as dual KSP and Aurora-A kinase inhibitors for anti-cancer agents. |
Bioorg Med Chem 18: 8035-43 (2010) | China Pharmaceutical University | 2D 3D TSV |
| 20934345 | 20 | Biflavonoids from Torreya nucifera displaying SARS-CoV 3CL(pro) inhibition. |
Bioorg Med Chem 18: 7940-7 (2010) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
| 20934343 | 62 | Design, syntheses and 3D-QSAR studies of novel N-phenyl pyrrolidin-2-ones and N-phenyl-1H-pyrrol-2-ones as protoporphyrinogen oxidase inhibitors. |
Bioorg Med Chem 18: 7948-56 (2010) | Central China Normal University | 2D 3D TSV |
| 20934342 | 14 | Structure-activity relationships for inhibition of inosine monophosphate dehydrogenase and differentiation induction of K562 cells among the mycophenolic acid derivatives. |
Bioorg Med Chem 18: 8106-11 (2010) | Hokkaido University | 2D 3D TSV |
| 20934337 | 59 | Tri- and tetrasubstituted imidazoles as p38a mitogen-activated protein kinase inhibitors. |
Bioorg Med Chem Lett 20: 6671-5 (2010) | Eberhard-Karls University of Tübingen | 2D 3D TSV |
| 20934336 | 15 | Kojyl thioether derivatives having both tyrosinase inhibitory and anti-inflammatory properties. |
Bioorg Med Chem Lett 20: 6569-71 (2010) | AmorePacific Corporation | 2D 3D TSV |
| 20934335 | 24 | New stilbenoid with inhibitory activity on viral neuraminidases from Erythrina addisoniae. |
Bioorg Med Chem Lett 20: 6430-4 (2010) | Chosun University | 2D 3D TSV |
| 20934334 | 16 | Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain. |
Bioorg Med Chem Lett 20: 6379-83 (2010) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 20934333 | 2 | Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists. |
Bioorg Med Chem Lett 20: 6375-8 (2010) | Icagen Inc | 2D 3D TSV |
| 20934332 | 3 | An in situ oxidation strategy towards overcoming hERG affinity. |
Bioorg Med Chem Lett 20: 6400-4 (2010) | Pfizer Inc | 2D 3D TSV |
| 20934331 | 23 | Identification of 2-oxo-N-(phenylmethyl)-4-imidazolidinecarboxamide antagonists of the P2X(7) receptor. |
Bioorg Med Chem Lett 20: 6370-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20933419 | 68 | Inhibition of Bfl-1 with N-aryl maleimides. |
Bioorg Med Chem Lett 20: 6560-4 (2010) | Human BioMolecular Research Institute | 2D 3D TSV |
| 20933417 | 7 | Syntheses of fluorescent imidazoquinoline conjugates as probes of Toll-like receptor 7. |
Bioorg Med Chem Lett 20: 6384-6 (2010) | University of Kansas | 2D 3D TSV |
| 20933416 | 33 | N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase. |
Bioorg Med Chem Lett 20: 6495-9 (2010) | Università G. d'Annunzio | 2D 3D TSV |
| 20933415 | 50 | Functionalized benzophenone, thiophene, pyridine, and fluorene thiosemicarbazone derivatives as inhibitors of cathepsin L. |
Bioorg Med Chem Lett 20: 6610-5 (2010) | Baylor University | 2D 3D TSV |
| 20933414 | 25 | Design, synthesis, and structure-activity relationship studies of N-arylsulfonyl morpholines as¿-secretase inhibitors. |
Bioorg Med Chem Lett 20: 6606-9 (2010) | Merck Research Lab. | 2D 3D TSV |
| 20933413 | 74 | 2-Methyl-3-furanyl-4H-1,2,4-triazol-3-ylthioamides: a new class of selective orexin 2 antagonists. |
Bioorg Med Chem Lett 20: 6405-7 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20933412 | 83 | 2-Aryl benzimidazoles: human SCD1-specific stearoyl coenzyme-A desaturase inhibitors. |
Bioorg Med Chem Lett 20: 6366-9 (2010) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 20933411 | 69 | Discovery of MK-0952, a selective PDE4 inhibitor for the treatment of long-term memory loss and mild cognitive impairment. |
Bioorg Med Chem Lett 20: 6387-93 (2010) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 20933410 | 22 | Discovery of highly potent and efficacious MC4R agonists with spiroindane N-Me-1,2,4-triazole privileged structures for the treatment of obesity. |
Bioorg Med Chem Lett 20: 6524-32 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20933409 | 50 | Arylpiperazine-containing pyrimidine 4-carboxamide derivatives targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant. |
Bioorg Med Chem Lett 20: 6439-42 (2010) | Green Cross Corporation | 2D 3D TSV |
| 20932767 | 66 | Building a MCHR1 homology model provides insight into the receptor-antagonist contacts that are important for the development of new anti-obesity agents. |
Bioorg Med Chem 18: 7365-79 (2010) | Universidad de Navarra | 2D 3D TSV |
| 20932759 | 100 | 4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors. |
Bioorg Med Chem Lett 20: 6489-94 (2010) | Nerviano Medical Sciences srl | 2D 3D TSV |
| 20932758 | 39 | Development of novel inhibitors targeting HIF-1a towards anticancer drug discovery. |
Bioorg Med Chem Lett 20: 6426-9 (2010) | Piramal Life Sciences | 2D 3D TSV |
| 20932750 | 65 | 1,2-diamino-ethane-substituted-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepines as TRPV1 antagonists with improved properties. |
Bioorg Med Chem Lett 20: 7142-6 (2010) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 20932747 | 61 | The rational design of a novel potent analogue of the 5'-AMP-activated protein kinase inhibitor compound C with improved selectivity and cellular activity. |
Bioorg Med Chem Lett 20: 6394-9 (2010) | Ansaris | 2D 3D TSV |
| 20932746 | 30 | Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution. |
Bioorg Med Chem Lett 20: 6483-8 (2010) | Vernalis (R&D) Ltd | 2D 3D TSV |
| 20932745 | 26 | Synthesis and pharmacological activity of 1,3,6-trisubstituted-4-oxo-1,4-dihydroquinoline-2-carboxylic acids as selective ET(A) antagonists. |
Bioorg Med Chem Lett 20: 6840-4 (2010) | St. John's University | 2D 3D TSV |
| 20932609 | 26 | Synthesis of novel chiral¿2-isoxazoline derivatives related to ABT-418 and estimation of their affinity at neuronal nicotinic acetylcholine receptor subtypes. |
Eur J Med Chem 45: 5594-601 (2010) | Universit£ degli Studi di Milano | 2D 3D TSV |
| 20932009 | 127 | 5-Piperazinyl-3-sulfonylindazoles as potent and selective 5-hydroxytryptamine-6 antagonists. |
J Med Chem 53: 7639-46 (2010) | Wyeth Research | 2D 3D TSV |
| 20931980 | 70 | Identification of non-peptide malignant brain tumor (MBT) repeat antagonists by virtual screening of commercially available compounds. |
J Med Chem 53: 7625-31 (2010) | University of North Carolina at Chapel Hill | 2D 3D TSV |
| 20931971 | 155 | Discovery of dual inducible/neuronal nitric oxide synthase (iNOS/nNOS) inhibitor development candidate 4-((2-cyclobutyl-1H-imidazo[4,5-b]pyrazin-1-yl)methyl)-7,8-difluoroquinolin-2(1H)-one (KD7332) part 2: identification of a novel, potent, and selective series of benzimidazole-quinolinone iNOS/nNO |
J Med Chem 53: 7739-55 (2010) | Kalypsys Inc | 2D 3D TSV |
| 20931963 | 112 | Discovery of a novel 5-HT(3) antagonist/5-HT(1A) agonist 3-amino-5,6,7,8-tetrahydro-2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}quinazolin-4(3H)-one (TZB-30878) as an orally bioavailable agent for irritable bowel syndrome. |
J Med Chem 53: 7549-63 (2010) | ASKA Pharmaceutical Co., Ltd | 2D 3D TSV |
| 20929261 | 6 | Mammea E/BB, an isoprenylated dihydroxycoumarin protonophore that potently uncouples mitochondrial electron transport, disrupts hypoxic signaling in tumor cells. |
J Nat Prod 73: 1868-72 (2010) | University of Mississippi | 2D 3D TSV |
| 20929256 | 27 | Rational design, synthesis, and evaluation of new selective inhibitors of microbial class II (zinc dependent) fructose bis-phosphate aldolases. |
J Med Chem 53: 7836-42 (2010) | Paris-Sud University | 2D 3D TSV |
| 20926301 | 77 | Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII. |
Bioorg Med Chem 18: 7357-64 (2010) | Institute of Biotechnology | 2D 3D TSV |
| 20926294 | 65 | 3-Urea-1-(phenylmethyl)-pyridones as novel, potent, and selective EP3 receptor antagonists. |
Bioorg Med Chem Lett 20: 6744-7 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20926163 | 32 | Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors. |
Eur J Med Chem 45: 5612-20 (2010) | Tianjin University of Science and Technology | 2D 3D TSV |
| 20926162 | 14 | Old phenothiazine and dibenzothiadiazepine derivatives for tomorrow's neuroprotective therapies against neurodegenerative diseases. |
Eur J Med Chem 45: 6152-8 (2010) | Instituto de Qu£mica M£dica | 2D 3D TSV |
| 20926161 | 21 | Novel alkyl- and arylcarbamate derivatives with N-benzylpiperidine and N-benzylpiperazine moieties as cholinesterases inhibitors. |
Eur J Med Chem 45: 5602-11 (2010) | Jagiellonian University Medical College | 2D 3D TSV |
| 20925434 | 43 | Novel 1',1'-chain substituted hexahydrocannabinols: 9ß-hydroxy-3-(1-hexyl-cyclobut-1-yl)-hexahydrocannabinol (AM2389) a highly potent cannabinoid receptor 1 (CB1) agonist. |
J Med Chem 53: 6996-7010 (2010) | Northeastern University | 2D 3D TSV |
| 20925433 | 21 | Toward the development of innovative bifunctional agents to induce differentiation and to promote apoptosis in leukemia: clinical candidates and perspectives. |
J Med Chem 53: 6779-810 (2010) | Aristotle University of Thessaloniki | 2D 3D TSV |
| 20925410 | 92 | Fruitful adrenergica(2C)-agonism/a(2A)-antagonism combination to prevent and contrast morphine tolerance and dependence. |
J Med Chem 53: 7825-35 (2010) | Universita` di Camerino | 2D 3D TSV |
| 20921316 | 10 | Mechanistic studies of the inactivation of TEM-1 and P99 by NXL104, a novel non-beta-lactam beta-lactamase inhibitor. |
Antimicrob Agents Chemother 54: 5132-8 (2010) | Novexel SA | 2D 3D TSV |
| 20919678 | 109 | Design, synthesis, and evaluation of indolinones as inhibitors of the transforming growth factorß receptor I (TGFßRI). |
J Med Chem 53: 7287-95 (2010) | Boehringer Ingelheim Pharma GmbH & Co. KG | 2D 3D TSV |
| 20889498 | 23 | Structural and biochemical characterization of Mycobacterium tuberculosis CYP142: evidence for multiple cholesterol 27-hydroxylase activities in a human pathogen. |
J Biol Chem 285: 38270-82 (2010) | Manchester Interdisciplinary Biocentre | 2D 3D TSV |
| 20889348 | 9 | Fluorescent-tagged sp2-iminosugars with potentß-glucosidase inhibitory activity. |
Bioorg Med Chem 18: 7439-45 (2010) | Universidad de Sevilla | 2D 3D TSV |
| 20889347 | 14 | 3D QSAR study, synthesis, and in vitro evaluation of (+)-5-FBVM as potential PET radioligand for the vesicular acetylcholine transporter (VAChT). |
Bioorg Med Chem 18: 7659-67 (2010) | University of Tours | 2D 3D TSV |
| 20889345 | 94 | 4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII. |
Bioorg Med Chem 18: 7413-21 (2010) | Vilnius University | 2D 3D TSV |
| 20889341 | 59 | Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists. |
Bioorg Med Chem Lett 20: 6538-41 (2010) | AMRI | 2D 3D TSV |
| 20889239 | 5 | Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity. |
Eur J Med Chem 45: 5767-72 (2010) | Universidad de la Rep£blica | 2D 3D TSV |
| 20888766 | 50 | Novel selective anti-androgens with a diphenylpentane skeleton. |
Bioorg Med Chem Lett 20: 6661-6 (2010) | The University of Tokyo | 2D 3D TSV |
| 20888765 | 15 | Bromophenols as Candida albicans isocitrate lyase inhibitors. |
Bioorg Med Chem Lett 20: 6644-8 (2010) | Seoul National University | 2D 3D TSV |
| 20888763 | 8 | Synthesis and evaluation of bivalent, peptidomimetic antagonists of theavß3 integrins. |
Bioorg Med Chem Lett 20: 6577-80 (2010) | The Methodist Hospital Research Institute | 2D 3D TSV |
| 20888762 | 7 | Identification of a red-emitting fluorescent ligand for in vitro visualization of human serotonin 5-HT(1A) receptors. |
Bioorg Med Chem Lett 20: 6628-32 (2010) | Università degli Studi di Bari A. Moro | 2D 3D TSV |
| 20888243 | 12 | Design of more potent squalene synthase inhibitors with multiple activities. |
Bioorg Med Chem 18: 7402-12 (2010) | University of Athens | 2D 3D TSV |
| 20888240 | 254 | Design, synthesis, and subtype selectivity of 3,6-disubstitutedß-carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse. |
Bioorg Med Chem 18: 7548-64 (2010) | University of Wisconsin-Milwaukee | 2D 3D TSV |
| 20888225 | 17 | Discovery of a vorapaxar analog with increased aqueous solubility. |
Bioorg Med Chem Lett 20: 6676-9 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20888224 | 29 | Discovery and SAR of a series of 4,6-diamino-1,3,5-triazin-2-ol as novel non-nucleoside reverse transcriptase inhibitors of HIV-1. |
Bioorg Med Chem Lett 20: 6592-6 (2010) | Ansaris | 2D 3D TSV |
| 20888086 | 12 | Convenient synthesis and biological profile of 5-amino-substituted 1,2,4-oxadiazole derivatives. |
Eur J Med Chem 45: 5635-45 (2010) | Democritus University of Thrace | 2D 3D TSV |
| 20886838 | 44 | C-Methylated Flavonoids from Cleistocalyx operculatus and Their Inhibitory Effects on Novel Influenza A (H1N1) Neuraminidase. |
J Nat Prod 73: 1636-42 (2010) | Chosun University | 2D 3D TSV |
| 20884208 | 2 | Design and synthesis of novel pyrimidine hydroxamic acid inhibitors of histone deacetylases. |
Bioorg Med Chem Lett 20: 6657-60 (2010) | Chroma Therapeutics | 2D 3D TSV |
| 20884092 | 1 | Synthesis, biological evaluation and docking studies of 4-amino-tetrahydroquinazolino[3,2-e]purine derivatives. |
Eur J Med Chem 45: 5678-84 (2010) | University of Lille | 2D 3D TSV |
| 20883026 | 3 | An o-aminoanilide analogue of 1a,25-dihydroxyvitamin D(3) functions as a strong vitamin D receptor antagonist. |
J Med Chem 53: 7461-5 (2010) | McGill University | 2D 3D TSV |
| 20882962 | 36 | Targeted mutations of Bacillus anthracis dihydrofolate reductase condense complex structure-activity relationships. |
J Med Chem 53: 7327-36 (2010) | University of Connecticut | 2D 3D TSV |
| 20880712 | 69 | Design, solid-phase synthesis, and biological evaluation of novel 1,5-diarylpyrrole-3-carboxamides as carbonic anhydrase IX inhibitors. |
Bioorg Med Chem 18: 7392-401 (2010) | University of Lille | 2D 3D TSV |
| 20880707 | 13 | Identification of 9-fluoro substituted (-)-cytisine derivatives as ligands with high affinity for nicotinic receptors. |
Bioorg Med Chem Lett 20: 6667-70 (2010) | ENSICAEN-Université de Caen Basse-Normandie | 2D 3D TSV |
| 20880704 | 200 | Design and synthesis of aminohydantoins as potent and selective humanß-secretase (BACE1) inhibitors with enhanced brain permeability. |
Bioorg Med Chem Lett 20: 6597-605 (2010) | Pfizer Inc | 2D 3D TSV |
| 20880702 | 35 | Berberine derivatives, with substituted amino groups linked at the 9-position, as inhibitors of acetylcholinesterase/butyrylcholinesterase. |
Bioorg Med Chem Lett 20: 6649-52 (2010) | Sun Yat-sen University | 2D 3D TSV |
| 20879744 | 4 | (Z)-3-butylidenephthalide from Ligusticum porteri , ana-glucosidase inhibitor. |
J Nat Prod 74: 314-20 (2011) | Universidad Nacional Auto£?noma de Me£?xico | 2D 3D TSV |
| 20879713 | 6 | Kinetics and inhibition of nicotinamidase from Mycobacterium tuberculosis. |
Biochemistry 49: 9613-9 (2010) | Albert Einstein College of Medicine | 2D 3D TSV |
| 20875744 | 6 | Synthesis and biological evaluation of radio-iodinated benzimidazoles as SPECT imaging agents for NR2B subtype of NMDA receptor. |
Bioorg Med Chem 18: 7497-506 (2010) | Hamamatsu University School of Medicine | 2D 3D TSV |
| 20875743 | 90 | Discovery of {1-[4-(2-{hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-1H-benzimidazol-1-yl)piperidin-1-yl]cyclooctyl}methanol, systemically potent novel non-peptide agonist of nociceptin/orphanin FQ receptor as analgesic for the treatment of neuropathic pain: design, synthesis, and structure-activity rela |
Bioorg Med Chem 18: 7675-99 (2010) | Pfizer Inc | 2D 3D TSV |
| 20875738 | 9 | 5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidines as novel class of potent and highly selective CaMKII inhibitors. |
Bioorg Med Chem Lett 20: 6696-8 (2010) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
| 20873795 | 13 | Carbocycles related to oseltamivir as influenza virus group-1-specific neuraminidase inhibitors. Binding to N1 enzymes in the context of virus-like particles. |
J Med Chem 53: 7377-91 (2010) | Simon Fraser University | 2D 3D TSV |
| 20873792 | 16 | Novel agonists and antagonists for human protease activated receptor 2. |
J Med Chem 53: 7428-40 (2010) | The University of Queensland | 2D 3D TSV |
| 20873775 | 18 | Assessment of structurally diverse philanthotoxin analogues for inhibitory activity on ionotropic glutamate receptor subtypes: discovery of nanomolar, nonselective, and use-dependent antagonists. |
J Med Chem 53: 7441-51 (2010) | University of Copenhagen | 2D 3D TSV |
| 20873740 | 111 | Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding. |
J Med Chem 53: 7296-315 (2010) | Nerviano Medical Sciences srl | 2D 3D TSV |
| 20873719 | 12 | Design, synthesis, radiolabeling, and in vivo evaluation of carbon-11 labeled N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a potential positron emission tomography tracer for the dopamine D(4) receptors. |
J Med Chem 53: 7344-55 (2010) | Universita` degli Studi di Bari A Moro | 2D 3D TSV |
| 20870413 | 14 | Synthesis and evaluation of benzoxazole derivatives as 5-lipoxygenase inhibitors. |
Bioorg Med Chem 18: 7580-5 (2010) | Ewha Womans University | 2D 3D TSV |
| 20870405 | 31 | Discovery of a potent and selective Bcl-2 inhibitor using SAR by NMR. |
Bioorg Med Chem Lett 20: 6587-91 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20869873 | 65 | 3D-QSAR and docking studies on pyrazolo[4,3-h]qinazoline-3-carboxamides as cyclin-dependent kinase 2 (CDK2) inhibitors. |
Bioorg Med Chem Lett 20: 6764-72 (2010) | Jinan University | 2D 3D TSV |
| 20869872 | 16 | Potent and selective HIV-1 ribonuclease H inhibitors based on a 1-hydroxy-1,8-naphthyridin-2(1H)-one scaffold. |
Bioorg Med Chem Lett 20: 6754-7 (2010) | Merck and Co. | 2D 3D TSV |
| 20869793 | 24 | Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors. |
Eur J Med Chem 45: 5420-7 (2010) | Konkuk University | 2D 3D TSV |
| 20869254 | 1 | 9-Dihydroerythromycin ethers as motilin agonists--developing structure-activity relationships for potency and safety. |
Bioorg Med Chem 18: 7651-8 (2010) | Kosan Biosciences Inc | 2D 3D TSV |
| 20869242 | 46 | Discovery of 2-aminoimidazopyridine adenosine A(2A) receptor antagonists. |
Bioorg Med Chem Lett 20: 6845-9 (2010) | Ligand Pharmaceuticals Inc | 2D 3D TSV |
| 20866075 | 87 | Discovery of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1. |
J Med Chem 53: 7392-404 (2010) | National Human Genome Research Institute | 2D 3D TSV |
| 20864344 | 110 | Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1. |
Bioorg Med Chem Lett 20: 6725-9 (2010) | Vitae Pharmaceuticals | 2D 3D TSV |
| 20864343 | 64 | Development of the next generation of HIV-1 integrase inhibitors: pyrazolone as a novel inhibitor scaffold. |
Bioorg Med Chem Lett 20: 6854-7 (2010) | University of Southern California | 2D 3D TSV |
| 20864339 | 29 | Antidotes to anthrax lethal factor intoxication. Part 1: Discovery of potent lethal factor inhibitors with in vivo efficacy. |
Bioorg Med Chem Lett 20: 6850-3 (2010) | PanThera Biopharma, LLC | 2D 3D TSV |
| 20860527 | 24 | Synthesis and characterisation of two novel proton transfer compounds and their inhibition studies on carbonic anhydrase isoenzymes. |
J Enzyme Inhib Med Chem 26: 104-14 (2011) | Dumlupinar University | 2D 3D TSV |
| 20860381 | 61 | Novel pyridylmethylamines as highly selective 5-HT(1A) superagonists. |
J Med Chem 53: 7167-79 (2010) | Friedrich-Alexander University | 2D 3D TSV |
| 20860370 | 83 | Discovery of 1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one as a highly potent, selective mammalian target of rapamycin (mTOR) inhibitor for the treatment of cancer. |
J Med Chem 53: 7146-55 (2010) | Dana-Farber Cancer Institute Inc | 2D 3D TSV |
| 20857914 | 95 | Design and synthesis of prolylcarboxypeptidase (PrCP) inhibitors to validate PrCP as a potential target for obesity. |
J Med Chem 53: 7251-63 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20857912 | 21 | Structure-activity relationship study of first selective inhibitor of excitatory amino acid transporter subtype 1: 2-Amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (UCPH-101). |
J Med Chem 53: 7180-91 (2010) | University of Copenhagen | 2D 3D TSV |
| 20857909 | 176 | Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with subnanomolar affinity fora(1)-adrenoceptors. |
J Med Chem 53: 7021-34 (2010) | University of Copenhagen | 2D 3D TSV |
| 20855214 | 6 | 2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections. |
Bioorg Med Chem 18: 7475-85 (2010) | University of London | 2D 3D TSV |
| 20855212 | 56 | Evaluation of amide replacements in CCR5 antagonists as a means to increase intrinsic permeability. Part 2: SAR optimization and pharmacokinetic profile of a homologous azacyle series. |
Bioorg Med Chem Lett 20: 6802-7 (2010) | Roche Palo Alto | 2D 3D TSV |
| 20855211 | 91 | Subtype-selective Na(v)1.8 sodium channel blockers: identification of potent, orally active nicotinamide derivatives. |
Bioorg Med Chem Lett 20: 6812-5 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20855207 | 26 | Discovery of orally bioavailable imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors. |
Bioorg Med Chem Lett 20: 6739-43 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20853847 | 39 | Aldehyde oxidase: an enzyme of emerging importance in drug discovery. |
J Med Chem 53: 8441-60 (2010) | Pfizer Inc | 2D 3D TSV |
| 20851614 | 22 | Synthesis of novel 3-amino and 29-hydroxamic acid derivatives of glycyrrhetinic acid as selective 11ß-hydroxysteroid dehydrogenase 2 inhibitors. |
Bioorg Med Chem 18: 7522-41 (2010) | University of Natural Resources and Applied Life Sciences | 2D 3D TSV |
| 20851601 | 28 | Discovery of N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4,5-dihydro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-6-yl]-N-isopropylacetamide, an orally active, gut-selective CCK1 receptor agonist for the potential treatment of obesity. |
Bioorg Med Chem Lett 20: 6797-801 (2010) | Pfizer Inc | 2D 3D TSV |
| 20851599 | 18 | Design, synthesis and structure-activity relationship of novel quinoxalin-2-carboxamides as 5-HT3 receptor antagonists for the management of depression. |
Bioorg Med Chem Lett 20: 6773-6 (2010) | Birla Institute of Technology | 2D 3D TSV |
| 20850973 | 12 | Novel CGRP receptor antagonists from central amide replacements causing a reversal of preferred chirality. |
Bioorg Med Chem Lett 20: 6827-30 (2010) | Merck & Co. | 2D 3D TSV |
| 20850972 | 11 | Rational design of novel pyrrolidine derivatives as orally active neurokinin-3 receptor antagonists. |
Bioorg Med Chem Lett 20: 6735-8 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20850970 | 27 | Novel thiazolidinedione derivatives with anti-obesity effects: dual action as PTP1B inhibitors and PPAR-¿ activators. |
Bioorg Med Chem Lett 20: 6758-63 (2010) | Inha University | 2D 3D TSV |
| 20850969 | 33 | Expansion of SAR studies on triaryl bis sulfone cannabinoid CB2 receptor ligands. |
Bioorg Med Chem Lett 20: 6785-9 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20850315 | 17 | Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors. |
Bioorg Med Chem Lett 20: 6203-7 (2010) | Singapore Polytechnic | 2D 3D TSV |
| 20850311 | 9 | Indole alkaloids from Ervatamia hainanensis with potent acetylcholinesterase inhibition activities. |
Bioorg Med Chem Lett 20: 6185-7 (2010) | Zhejiang University | 2D 3D TSV |
| 20850307 | 27 | Design and synthesis of KNT-127, ad-opioid receptor agonist effective by systemic administration. |
Bioorg Med Chem Lett 20: 6302-5 (2010) | Kitasato University | 2D 3D TSV |
| 20850304 | 19 | Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. |
Bioorg Med Chem Lett 20: 6306-9 (2010) | Stony Brook University | 2D 3D TSV |
| 20850301 | 68 | Inhibitors of the tyrosine kinase EphB4. Part 3: identification of non-benzodioxole-based kinase inhibitors. |
Bioorg Med Chem Lett 20: 6242-5 (2010) | AstraZeneca | 2D 3D TSV |
| 20850300 | 45 | Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors. |
Bioorg Med Chem Lett 20: 6268-72 (2010) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
| 20850205 | 27 | Structure-based optimization and biological evaluation of human 20a-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors. |
Eur J Med Chem 45: 5309-17 (2010) | Monash University (Parkville Campus) | 2D 3D TSV |
| 20846868 | 2 | Anti-AIDS agents 84. Synthesis and anti-human immunodeficiency virus (HIV) activity of 2'-monomethyl-4-methyl- and 1'-thia-4-methyl-(3'R,4'R)-3',4'-di-O-(S)-camphanoyl-(+)-cis-khellactone (DCK) analogs. |
Bioorg Med Chem 18: 7203-11 (2010) | Fudan University | 2D 3D TSV |
| 20846865 | 80 | Quantitative structure-activity relationship studies of threo-methylphenidate analogs. |
Bioorg Med Chem 18: 7221-38 (2010) | Institute of Technology | 2D 3D TSV |
| 20846863 | 23 | New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold. |
Bioorg Med Chem Lett 20: 6213-6 (2010) | University of Lille | 2D 3D TSV |
| 20846861 | 20 | Discovery of a series of potent, orally activea,a-disubstituted piperidine NK(1) antagonists. |
Bioorg Med Chem Lett 20: 6313-5 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20846091 | 3 | A FLT3-inhibitory constituent from the rhizomes of Anemarrhena asphodeloides. |
J Enzyme Inhib Med Chem 26: 445-8 (2011) | Gyeongsang National University | 2D 3D TSV |
| 20845959 | 94 | Synthesis and biological evaluation of bivalent ligands for the cannabinoid 1 receptor. |
J Med Chem 53: 7048-60 (2010) | Research Triangle Institute | 2D 3D TSV |
| 20845907 | 14 | Development of molecular probes for the human 5-HT(6) receptor. |
J Med Chem 53: 7095-106 (2010) | Universidad Complutense de Madrid | 2D 3D TSV |
| 20843696 | 12 | Improvement of water-solubility of biarylcarboxylic acid peroxisome proliferator-activated receptor (PPAR)d-selective partial agonists by disruption of molecular planarity/symmetry. |
Bioorg Med Chem 18: 7164-73 (2010) | The University of Tokyo | 2D 3D TSV |
| 20843694 | 3 | Design, synthesis, biological evaluation, and modeling of a non-carbohydrate antagonist of the myelin-associated glycoprotein. |
Bioorg Med Chem 18: 7239-51 (2010) | University of Basel | 2D 3D TSV |
| 20843691 | 26 | Indole- and benzothiophene-based histamine H3 antagonists. |
Bioorg Med Chem Lett 20: 6226-30 (2010) | Johnson & Johnson Pharmaceutical Research & Development | 2D 3D TSV |
| 20843690 | 60 | Piperidine-based renin inhibitors: upper chain optimization. |
Bioorg Med Chem Lett 20: 6291-6 (2010) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
| 20843688 | 8 | 'Click' assembly of selective inhibitors for MAO-A. |
Bioorg Med Chem Lett 20: 6222-5 (2010) | Zhejiang University | 2D 3D TSV |
| 20843687 | 60 | Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG. |
Bioorg Med Chem Lett 20: 6237-41 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20843686 | 99 | Design and optimization of new piperidines as renin inhibitors. |
Bioorg Med Chem Lett 20: 6286-90 (2010) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
| 20839777 | 25 | Positive allosteric modulators of thea-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor. |
J Med Chem 53: 7271-9 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20839776 | 105 | Bioisosteric replacement leading to biologically active [2.2]paracyclophanes with altered binding profiles for aminergic G-protein-coupled receptors. |
J Med Chem 53: 7219-28 (2010) | Friedrich-Alexander University | 2D 3D TSV |
| 20839775 | 60 | Exploration of the amine terminus in a novel series of 1,2,4-triazolo-3-yl-azabicyclo[3.1.0]hexanes as selective dopamine D3 receptor antagonists. |
J Med Chem 53: 7129-39 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20836557 | 31 | Discovery of small molecule inhibitors of the PH domain leucine-rich repeat protein phosphatase (PHLPP) by chemical and virtual screening. |
J Med Chem 53: 6899-911 (2010) | University of California San Diego | 2D 3D TSV |
| 20836515 | 2 | An Optimized Immunoaffinity Fluorescent Method for Natural Product Target Elucidation. |
J Nat Prod (2010) | University of California | 2D 3D TSV |
| 20833551 | 54 | N-phenyl-N'-[4-(5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)phenyl]ureas as novel inhibitors of VEGFR and FGFR kinases. |
Bioorg Med Chem 18: 7150-63 (2010) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 20833547 | 19 | Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells. |
Bioorg Med Chem Lett 20: 5988-93 (2010) | The Institute of Cancer Research | 2D 3D TSV |
| 20833546 | 6 | Paraoxon, 4-nitrophenyl phosphate and acetate are substrates ofa- but not ofß-,¿- and¿-carbonic anhydrases. |
Bioorg Med Chem Lett 20: 6208-12 (2010) | Università degli Studi di Firenze | 2D 3D TSV |
| 20833542 | 16 | Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase. |
Bioorg Med Chem Lett 20: 6258-61 (2010) | Northwestern University | 2D 3D TSV |
| 20833055 | 44 | Design, synthesis, and evaluation of 5-methyl-4-phenoxy-5H-pyrrolo[3,2-d]pyrimidine derivatives: novel VEGFR2 kinase inhibitors binding to inactive kinase conformation. |
Bioorg Med Chem 18: 7260-73 (2010) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 20833043 | 28 | Investigation of 4-piperidinols as novel H3 antagonists. |
Bioorg Med Chem Lett 20: 6246-9 (2010) | Athersys Inc | 2D 3D TSV |
| 20833042 | 51 | Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors. |
Bioorg Med Chem Lett 20: 6273-6 (2010) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 20833041 | 40 | Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model. |
Bioorg Med Chem Lett 20: 6231-6 (2010) | Elan Pharmaceuticals | 2D 3D TSV |
| 20833039 | 37 | Novel azulene-based derivatives as potent multi-receptor tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 20: 6129-32 (2010) | Industrial Technology Research Institute | 2D 3D TSV |
| 20833038 | 98 | Discovery of pyrrolopyridazines as novel DGAT1 inhibitors. |
Bioorg Med Chem Lett 20: 6030-3 (2010) | Amgen Inc | 2D 3D TSV |
| 20833036 | 221 | Thienopyrimidines asß3-adrenoceptor agonists: hit-to-lead optimization. |
Bioorg Med Chem Lett 20: 6108-15 (2010) | 4SC AG | 2D 3D TSV |
| 20832326 | 2 | Synthesis and biological evaluation of a series of aromatic bisphosphonates. |
Bioorg Med Chem 18: 7212-20 (2010) | University of Iowa | 2D 3D TSV |
| 20832307 | 43 | Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors. |
Bioorg Med Chem Lett 20: 5984-7 (2010) | Hoffmann-La Roche Inc | 2D 3D TSV |
| 20832306 | 64 | Design and synthesis of a new class of malonyl-CoA decarboxylase inhibitors with anti-obesity and anti-diabetic activities. |
Bioorg Med Chem Lett 20: 6088-92 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20832304 | 32 | Validated predictive QSAR modeling of N-aryl-oxazolidinone-5-carboxamides for anti-HIV protease activity. |
Bioorg Med Chem Lett 20: 6082-7 (2010) | Jadavpur University | 2D 3D TSV |
| 20832301 | 6 | Isoform-selective inhibition of chrysin towards human cytochrome P450 1A2. Kinetics analysis, molecular docking, and molecular dynamics simulations. |
Bioorg Med Chem Lett 20: 6008-12 (2010) | Sun Yat-sen University | 2D 3D TSV |
| 20829430 | 218 | Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development. |
Toxicol Sci 118: 485-500 (2010) | Amgen Inc | 2D 3D TSV |
| 20829038 | 92 | Exploration of piperidine-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-Phenyl derivatives with broad potency against resistant mutant viruses. |
Bioorg Med Chem Lett 20: 6020-3 (2010) | Roche R&D Center China | 2D 3D TSV |
| 20828889 | 10 | Synthesis, antioxidant activities and urease inhibition of some new 1,2,4-triazole and 1,3,4-thiadiazole derivatives. |
Eur J Med Chem 45: 5200-7 (2010) | Quaid-i-Azam University | 2D 3D TSV |
| 20828184 | 21 | Characterization of Acetylcholinesterase Inhibitory Constituents from Annona glabra Assisted by HPLC Microfractionation. |
J Nat Prod (2010) | National Taiwan University | 2D 3D TSV |
| 20828158 | 92 | Expanding the diversity of allosteric bcr-abl inhibitors. |
J Med Chem 53: 6934-46 (2010) | Harvard Medical School | 2D 3D TSV |
| 20828128 | 66 | Surface plasmon resonance biosensor based fragment screening using acetylcholine binding protein identifies ligand efficiency hot spots (LE hot spots) by deconstruction of nicotinic acetylcholine receptora7 ligands. |
J Med Chem 53: 7192-201 (2010) | VU University Amsterdam | 2D 3D TSV |
| 20827790 | 21 | A novel competitive class of α-glucosidase inhibitors: (E)-1-phenyl-3-(4-styrylphenyl)urea derivatives. |
Chembiochem 11: 2125-31 (2010) | Gyeongsang National University | 2D 3D TSV |
| 20826091 | 6 | 20-Aminosteroids as a novel class of selective and complete androgen receptor antagonists and inhibitors of prostate cancer cell growth. |
Bioorg Med Chem 18: 6960-9 (2010) | Universität Leipzig | 2D 3D TSV |
| 20826090 | 4 | Design, synthesis, and binding of homologated truncated 4'-thioadenosine derivatives at the human A3 adenosine receptors. |
Bioorg Med Chem 18: 7015-21 (2010) | Ewha Womans University | 2D 3D TSV |
| 20825218 | 69 | Synthesis and biological activity of pyrido[3',2':4,5]thieno[3,2-d]pyrimidines as phosphodiesterase type 4 inhibitors. |
J Med Chem 53: 6912-22 (2010) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 20824690 | 6 | Optimised expression and spectral analysis of the target enzyme CYP51 from Penicillium digitatum with possible new DMI fungicides. |
Pest Manag Sci 66: 1344-50 (2010) | Central China Normal University | 2D 3D TSV |
| 20823284 | 9 | Preclinical characterization of BI 201335, a C-terminal carboxylic acid inhibitor of the hepatitis C virus NS3-NS4A protease. |
Antimicrob Agents Chemother 54: 4611-8 (2010) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
| 20822912 | 2 | OGA inhibition by GlcNAc-selenazoline. |
Bioorg Med Chem 18: 7058-64 (2010) | Daegu University | 2D 3D TSV |
| 20822906 | 11 | A stereo-controlled synthesis of 2,4-dimethyl-4-hydroxy-16-phenylhexadecanoic acid 1,4-lactone and its PPAR activities. |
Bioorg Med Chem Lett 20: 6017-9 (2010) | Seoul National University | 2D 3D TSV |
| 20822905 | 28 | Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase. |
Bioorg Med Chem Lett 20: 6048-51 (2010) | Genentech | 2D 3D TSV |
| 20822903 | 87 | Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region. |
Bioorg Med Chem Lett 20: 6034-9 (2010) | Elan Pharmaceuticals | 2D 3D TSV |
| 20822901 | 8 | Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor. |
Bioorg Med Chem Lett 20: 6125-8 (2010) | University of Oxford | 2D 3D TSV |
| 20822184 | 27 | Chemistry and pharmacological characterization of novel nitrogen analogues of AMOP-H-OH (Sazetidine-A, 6-[5-(azetidin-2-ylmethoxy)pyridin-3-yl]hex-5-yn-1-ol) asa4ß2-nicotinic acetylcholine receptor-selective partial agonists. |
J Med Chem 53: 6973-85 (2010) | University of Illinois at Chicago | 2D 3D TSV |
| 20822181 | 189 | Structure-based design and synthesis of potent, ethylenediamine-based, mammalian farnesyltransferase inhibitors as anticancer agents. |
J Med Chem 53: 6867-88 (2010) | Yale University | 2D 3D TSV |
| 20817735 | 24 | Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation. |
J Biol Chem 285: 35900-9 (2010) | Commissariat à l'Energie Atomique | 2D 3D TSV |
| 20817538 | 16 | Structural resemblances and comparisons of the relative pharmacological properties of imatinib and nilotinib. |
Bioorg Med Chem 18: 6977-86 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20817523 | 61 | Substituted 4-amino-1H-pyrazolo[3,4-d]pyrimidines as multi-targeted inhibitors of insulin-like growth factor-1 receptor (IGF1R) and members of ErbB-family receptor kinases. |
Bioorg Med Chem Lett 20: 6067-71 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20817521 | 21 | A novel series of positive modulators of the AMPA receptor: structure-based lead optimization. |
Bioorg Med Chem Lett 20: 6072-5 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20817520 | 40 | Role of the phenolic hydroxyl group in the biological activities of simplified analogue of aplysiatoxin with antiproliferative activity. |
Bioorg Med Chem Lett 20: 6064-6 (2010) | Kyoto University | 2D 3D TSV |
| 20817518 | 23 | Synthesis and in vitro evaluation of N-alkyl-7-methoxytacrine hydrochlorides as potential cholinesterase inhibitors in Alzheimer disease. |
Bioorg Med Chem Lett 20: 6093-5 (2010) | Charles University | 2D 3D TSV |
| 20817473 | 57 | Thieno[3,2-c]pyrazoles: a novel class of Aurora inhibitors with favorable antitumor activity. |
Bioorg Med Chem 18: 7113-20 (2010) | Nerviano Medical Sciences Oncology | 2D 3D TSV |
| 20817450 | 13 | Fatty acid synthase inhibitors of phenolic constituents isolated from Garcinia mangostana. |
Bioorg Med Chem Lett 20: 6045-7 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20817449 | 19 | 4-methylpteridinones as orally active and selective PI3K/mTOR dual inhibitors. |
Bioorg Med Chem Lett 20: 6096-9 (2010) | Pfizer Inc | 2D 3D TSV |
| 20817362 | 25 | Exploring new inhibitors of Plasmodium falciparum purine nucleoside phosphorylase. |
Eur J Med Chem 45: 5140-9 (2010) | Instituto de Parasitología y Biomedicina López-Neyra | 2D 3D TSV |
| 20817325 | 2 | Synthesis and characterization of a iodine-125-labeled pyrrolo[1,2-a]thieno[3,2-e]pyrazine and evaluation as a potential 5-HT4R SPECT tracer. |
Eur J Med Chem 45: 5465-7 (2010) | Universit£ de Caen Basse-Normandie | 2D 3D TSV |
| 20813948 | 63 | Spiroindolones, a potent compound class for the treatment of malaria. |
Science 329: 1175-80 (2010) | Swiss Tropical and Public Health Institute | 2D 3D TSV |
| 20813534 | 17 | Synthesis, anti-fungal and 1,3-ß-D-glucan synthase inhibitory activities of caffeic and quinic acid derivatives. |
Bioorg Med Chem 18: 7009-14 (2010) | Inner Mongolia University | 2D 3D TSV |
| 20813529 | 48 | Search for influence of spatial properties on affinity ata1-adrenoceptor subtypes for phenylpiperazine derivatives of phenytoin. |
Bioorg Med Chem Lett 20: 6152-6 (2010) | Jagiellonian University Medical College | 2D 3D TSV |
| 20813526 | 8 | Synthesis and biological evaluation of a novel series of bis-salicylaldehydes as mushroom tyrosinase inhibitors. |
Bioorg Med Chem Lett 20: 6138-40 (2010) | Universit£ degli Studi di Cagliari | 2D 3D TSV |
| 20813523 | 26 | Discovery and structure-activity relationship of a novel spirocarbamate series of NPY Y5 antagonists. |
Bioorg Med Chem Lett 20: 6103-7 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20813522 | 4 | Elucidation of the active conformation of the amino terminus of receptor-bound secretin using intramolecular disulfide bond constraints. |
Bioorg Med Chem Lett 20: 6040-4 (2010) | Mayo Clinic | 2D 3D TSV |
| 20813430 | 5 | Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays. |
Eur J Med Chem 45: 4845-55 (2010) | Instituto Politécnico Nacional | 2D 3D TSV |
| 20812729 | 18 | Identification of selective norbornane-type aspartate analogue inhibitors of the glutamate transporter 1 (GLT-1) from the chemical universe generated database (GDB). |
J Med Chem 53: 7236-50 (2010) | University of Berne | 2D 3D TSV |
| 20812727 | 157 | Synthesis, structure-affinity relationships, and radiolabeling of selective high-affinity 5-HT4 receptor ligands as prospective imaging probes for positron emission tomography. |
J Med Chem 53: 7035-47 (2010) | National Institute of Mental Health | 2D 3D TSV |
| 20812725 | 103 | 1-Aryl-3-(1-acylpiperidin-4-yl)urea inhibitors of human and murine soluble epoxide hydrolase: structure-activity relationships, pharmacokinetics, and reduction of inflammatory pain. |
J Med Chem 53: 7067-75 (2010) | Department of Entomology and University of California Davis Cancer Center | 2D 3D TSV |
| 20812681 | 24 | Synthesis and biochemical characterization of a series of 17a-perfluoroalkylated estradiols as selective ligands for estrogen receptora. |
J Med Chem 53: 6947-53 (2010) | Charles University in Prague | 2D 3D TSV |
| 20810279 | 86 | Discovery of pyrrolopyrimidine inhibitors of Akt. |
Bioorg Med Chem Lett 20: 5607-12 (2010) | Array BioPharma Inc | 2D 3D TSV |
| 20810192 | 1 | Synthesis and evaluation of indole, pyrazole, chromone and pyrimidine based conjugates for tumor growth inhibitory activities--development of highly efficacious cytotoxic agents. |
Eur J Med Chem 45: 4968-82 (2010) | Guru Nanak Dev University | 2D 3D TSV |
| 20809642 | 28 | Click-chemistry-derived triazole ligands of arginine-glycine-aspartate (RGD) integrins with a broad capacity to inhibit adhesion of melanoma cells and both in vitro and in vivo angiogenesis. |
J Med Chem 53: 7119-28 (2010) | University of Florence | 2D 3D TSV |
| 20809634 | 46 | Amino derivatives of indole as potent inhibitors of isoprenylcysteine carboxyl methyltransferase. |
J Med Chem 53: 6838-50 (2010) | National University of Singapore | 2D 3D TSV |
| 20809633 | 16 | Design, synthesis, and structure-activity relationships of novel bicyclic azole-amines as negative allosteric modulators of metabotropic glutamate receptor 5. |
J Med Chem 53: 7107-18 (2010) | Sepracor Inc. | 2D 3D TSV |
| 20809632 | 68 | Rigid analogues of thea2-adrenergic blocker atipamezole: small changes, big consequences. |
J Med Chem 53: 6986-95 (2010) | Pierre Fabre Research Center | 2D 3D TSV |
| 20807771 | 7 | Identification of an endothelin-converting enzyme-2-specific fluorigenic substrate and development of an in vitro and ex vivo enzymatic assay. |
J Biol Chem 285: 34390-400 (2010) | Pharmaleads | 2D 3D TSV |
| 20807084 | 24 | Hyperbolic mixed-type inhibition of acetylcholinesterase by tetracyclic thienopyrimidines. |
J Enzyme Inhib Med Chem 26: 350-8 (2011) | University of Bonn | 2D 3D TSV |
| 20806939 | 52 | Analogues of morphanthridine and the tear gas dibenz[b,f][1,4]oxazepine (CR) as extremely potent activators of the human transient receptor potential ankyrin 1 (TRPA1) channel. |
J Med Chem 53: 7011-20 (2010) | Johnson & Johnson Pharmaceutical Research & Development | 2D 3D TSV |
| 20806907 | 1 | Topsentinols, 24-isopropyl steroids from the marine sponge Topsentia sp. |
J Nat Prod 73: 1597-600 (2010) | University of Hawaii at Manoa | 2D 3D TSV |
| 20806896 | 3 | Effects of conformational restriction of 2-amino-3-benzoylthiophenes on A(1) adenosine receptor modulation. |
J Med Chem 53: 6550-9 (2010) | Monash University (Parkville Campus) | 2D 3D TSV |
| 20806783 | 2 | Bioactivity-guided isolation of 1,2,3,4,6-Penta-O-galloyl-D-glucopyranose from Paeonia lactiflora roots as a PTP1B inhibitor. |
J Nat Prod 73: 1578-81 (2010) | University of Vienna | 2D 3D TSV |
| 20805028 | 32 | 6,7-Dihydroxy-4-phenylcoumarin as inhibitor of aldose reductase 2. |
Bioorg Med Chem Lett 20: 5630-3 (2010) | University of Toyama | 2D 3D TSV |
| 20804212 | 6 | Steady-state kinetic and inhibition studies of the mammalian target of rapamycin (mTOR) kinase domain and mTOR complexes. |
Biochemistry 49: 8488-98 (2010) | Pfizer Inc | 2D 3D TSV |
| 20804202 | 1 | Nitrile-containing pharmaceuticals: efficacious roles of the nitrile pharmacophore. |
J Med Chem 53: 7902-17 (2010) | Duquesne University | 2D 3D TSV |
| 20804199 | 23 | Inhalation by design: novel ultra-long-actingß(2)-adrenoreceptor agonists for inhaled once-daily treatment of asthma and chronic obstructive pulmonary disease that utilize a sulfonamide agonist headgroup. |
J Med Chem 53: 6640-52 (2010) | Pfizer Inc | 2D 3D TSV |
| 20804198 | 29 | Discovery of 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide (BMS-582949), a clinical p38a MAP kinase inhibitor for the treatment of inflammatory diseases. |
J Med Chem 53: 6629-39 (2010) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 20804197 | 40 | Synthesis, anti-inflammatory activity, and in vitro antitumor effect of a novel class of cyclooxygenase inhibitors: 4-(aryloyl)phenyl methyl sulfones. |
J Med Chem 53: 6560-71 (2010) | Universitat de Barcelona | 2D 3D TSV |
| 20801663 | 4 | Delphinidin, a dietary anthocyanidin in berry fruits, inhibits human glyoxalase I. |
Bioorg Med Chem 18: 7029-33 (2010) | Tokyo University of Science | 2D 3D TSV |
| 20801662 | 60 | Structure-activity relationships in 1,4-benzodioxan-related compounds. 10. Novela1-adrenoreceptor antagonists related to openphendioxan: synthesis, biological evaluation, anda1d computational study. |
Bioorg Med Chem 18: 7065-77 (2010) | Universit£ di Bari | 2D 3D TSV |
| 20801651 | 25 | Heterobiaryl and heterobiaryl ether derived M5 positive allosteric modulators. |
Bioorg Med Chem Lett 20: 5617-22 (2010) | Vanderbilt University Medical Center | 2D 3D TSV |
| 20801650 | 245 | 6-Alkoxyisoindolin-1-one based dopamine D2 partial agonists as potential antipsychotics. |
Bioorg Med Chem Lett 20: 5666-9 (2010) | Pfizer Inc | 2D 3D TSV |
| 20801557 | 39 | The synthesis, structure and activity evaluation of pyrogallol and catechol derivatives as Helicobacter pylori urease inhibitors. |
Eur J Med Chem 45: 5064-70 (2010) | Jishou University | 2D 3D TSV |
| 20801551 | 34 | Synthesis and evaluation of novel stearoyl-CoA desaturase 1 inhibitors: 1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-3,4-dihydrospiro[chromene-2,4'-piperidine] analogs. |
Eur J Med Chem 45: 4788-96 (2010) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 20801550 | 9 | Synthesis, characterization, oxidative degradation, antibacterial activity and acetylcholinesterase/butyrylcholinesterase inhibitory effects of some new phosphorus(V) hydrazides. |
Eur J Med Chem 45: 5130-9 (2010) | Tarbiat Modares University | 2D 3D TSV |
| 20801048 | 11 | Novel imidazoline compounds as partial or full agonists of D2-like dopamine receptors inspired by I2-imidazoline binding sites ligand 2-BFI. |
Bioorg Med Chem 18: 7085-91 (2010) | Universit£ degli Studi di Camerino | 2D 3D TSV |
| 20801039 | 27 | 9-Dihydroerythromycins as non-antibiotic motilin receptor agonists. |
Bioorg Med Chem Lett 20: 5658-61 (2010) | Kosan Biosciences Inc | 2D 3D TSV |
| 20801037 | 62 | Synthesis and SAR of 2-aryl-3-aminomethylquinolines as agonists of the bile acid receptor TGR5. |
Bioorg Med Chem Lett 20: 5718-21 (2010) | Kalypsys Inc | 2D 3D TSV |
| 20801035 | 22 | Synthesis and biological evaluation of C-2 halogenated analogs of salvinorin A. |
Bioorg Med Chem Lett 20: 5749-52 (2010) | Harvard Medical School | 2D 3D TSV |
| 20801033 | 4 | Probing the active-site requirements of human intestinal N-terminal maltase glucoamylase: the effect of replacing the sulfate moiety by a methyl ether in ponkoranol, a naturally occurringa-glucosidase inhibitor. |
Bioorg Med Chem Lett 20: 5686-9 (2010) | Simon Fraser University | 2D 3D TSV |
| 20801032 | 3 | Novel bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase. |
Bioorg Med Chem Lett 20: 5781-6 (2010) | McGill University | 2D 3D TSV |
| 20801030 | 106 | Discovery of potent and selective histamine H3 receptor inverse agonists based on the 3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one scaffold. |
Bioorg Med Chem Lett 20: 5713-7 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20801028 | 14 | Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists. |
Bioorg Med Chem Lett 20: 5690-4 (2010) | NIDDK | 2D 3D TSV |
| 20800486 | 16 | Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia. |
Bioorg Med Chem Lett 20: 5874-8 (2010) | Neurocrine Biosciences Inc | 2D 3D TSV |
| 20800483 | 9 | Novel indoline-1- or 3,4-dihydroquinoline-1(2H)-substituted carbothiohydrazides as TPO receptor agonists. |
Bioorg Med Chem Lett 20: 5670-2 (2010) | Shanghai Hengrui Pharmaceuticals Co., Ltd | 2D 3D TSV |
| 20800482 | 12 | Synthesis and biological evaluation of novel coumarin-based inhibitors of Cdc25 phosphatases. |
Bioorg Med Chem Lett 20: 5827-30 (2010) | Université Paul Verlaine | 2D 3D TSV |
| 20800480 | 14 | Synthesis and molecular docking study of novel coumarin derivatives containing 4,5-dihydropyrazole moiety as potential antitumor agents. |
Bioorg Med Chem Lett 20: 5705-8 (2010) | Anhui University of Technology | 2D 3D TSV |
| 20800479 | 33 | Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region. |
Bioorg Med Chem Lett 20: 5793-8 (2010) | Deciphera Pharmaceuticals LLC | 2D 3D TSV |
| 20800322 | 10 | Synthesis, biological assay in vitro and molecular docking studies of new imidazopyrazinone derivatives as potential dipeptidyl peptidase IV inhibitors. |
Eur J Med Chem 45: 4953-62 (2010) | East China University of Science and Technology | 2D 3D TSV |
| 20797871 | 18 | Development of a new epidermal growth factor receptor positron emission tomography imaging agent based on the 3-cyanoquinoline core: synthesis and biological evaluation. |
Bioorg Med Chem 18: 6634-45 (2010) | Imperial College | 2D 3D TSV |
| 20797858 | 2 | Synthesis of aminoquinazoline derivatives and their antiproliferative activities against melanoma cell line. |
Bioorg Med Chem Lett 20: 5722-5 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 20797855 | 63 | PKI-179: an orally efficacious dual phosphatidylinositol-3-kinase (PI3K)/mammalian target of rapamycin (mTOR) inhibitor. |
Bioorg Med Chem Lett 20: 5869-73 (2010) | Pfizer Inc | 2D 3D TSV |
| 20797617 | 8 | Application of fragment-based drug discovery to membrane proteins: identification of ligands of the integral membrane enzyme DsbB. |
Chem Biol 17: 881-91 (2010) | Leiden University | 2D 3D TSV |
| 20797610 | 20 | Functional studies of Plasmodium falciparum dipeptidyl aminopeptidase I using small molecule inhibitors and active site probes. |
Chem Biol 17: 808-19 (2010) | Stanford School of Medicine | 2D 3D TSV |
| 20795648 | 27 | Design, synthesis, and preliminary biological evaluation of new isoform-selective f-current blockers. |
J Med Chem 53: 6773-7 (2010) | Laboratory of Design, Synthesis, and Study of Biologically Active Heterocycles (HeteroBioLab) | 2D 3D TSV |
| 20735042 | 56 | Design, synthesis, and biological evaluation of halogenated N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)benzamides: discovery of an isoform-selective small molecule phospholipase D2 inhibitor. |
J Med Chem 53: 6706-19 (2010) | Vanderbilt University Medical Center | 2D 3D TSV |
| 20735001 | 145 | Nonsteroidal dissociated glucocorticoid agonists containing azaindoles as steroid A-ring mimetics. |
J Med Chem 53: 6681-98 (2010) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 20732813 | 33 | Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38a MAP kinase inhibitors. |
Bioorg Med Chem Lett 20: 5864-8 (2010) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
| 20732812 | 118 | 3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators. |
Bioorg Med Chem Lett 20: 5922-4 (2010) | Vanderbilt University | 2D 3D TSV |
| 20731374 | 65 | Direct renin inhibitors as a new therapy for hypertension. |
J Med Chem 53: 7490-520 (2010) | Novartis Pharmaceuticals Corp | 2D 3D TSV |
| 20731360 | 6 | Potent and fully noncompetitive peptidomimetic inhibitor of multidrug resistance P-glycoprotein. |
J Med Chem 53: 6720-9 (2010) | UMR 5086 CNRS | 2D 3D TSV |
| 20731359 | 29 | A focused library of protein tyrosine phosphatase inhibitors. |
J Med Chem 53: 6768-72 (2010) | Brown University | 2D 3D TSV |
| 20731357 | 27 | Small-molecule inhibitors of NADPH oxidase 4. |
J Med Chem 53: 6758-62 (2010) | Vichem Chemie Research Ltd. | 2D 3D TSV |
| 20729091 | 43 | Design and synthesis of biphenyl derivatives as mushroom tyrosinase inhibitors. |
Bioorg Med Chem 18: 6708-14 (2010) | Jinan University | 2D 3D TSV |
| 20729082 | 59 | Fused tricyclic pyrrolizinones that exhibit pseudo-irreversible blockade of the NK1 receptor. |
Bioorg Med Chem Lett 20: 5925-32 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20728966 | 58 | QSAR prediction of D2 receptor antagonistic activity of 6-methoxy benzamides. |
Eur J Med Chem 45: 4856-62 (2010) | University of Mazandaran | 2D 3D TSV |
| 20728368 | 16 | Synthesis, Pim kinase inhibitory potencies and in vitro antiproliferative activities of diversely substituted pyrrolo[2,3-a]carbazoles. |
Bioorg Med Chem 18: 6865-73 (2010) | Clermont Université | 2D 3D TSV |
| 20728365 | 1 | Replacement of the Lys linker with an Arg linker resulting in improved melanoma uptake and reduced renal uptake of Tc-99m-labeled Arg-Gly-Asp-conjugated alpha-melanocyte stimulating hormone hybrid peptide. |
Bioorg Med Chem 18: 6695-700 (2010) | University of New Mexico | 2D 3D TSV |
| 20728358 | 11 | Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF). |
Bioorg Med Chem Lett 20: 5811-4 (2010) | Yale University | 2D 3D TSV |
| 20728356 | 68 | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part III: the three microdose candidates. |
Bioorg Med Chem Lett 20: 7164-8 (2010) | Pfizer Inc | 2D 3D TSV |
| 20728355 | 47 | Identification and optimization of substituted 5-aminopyrazoles as potent and selective adenosine A1 receptor antagonists. |
Bioorg Med Chem Lett 20: 5891-4 (2010) | Bayer Schering Pharma AG | 2D 3D TSV |
| 20728354 | 16 | Azole derivatives as histamine H3 receptor antagonists, part I: thiazol-2-yl ethers. |
Bioorg Med Chem Lett 20: 5879-82 (2010) | Johann Wolfgang Goethe University | 2D 3D TSV |
| 20728352 | 5 | Novel pyrrole- and 1,2,3-triazole-based 2,3-oxidosqualene cyclase inhibitors. |
Bioorg Med Chem Lett 20: 5807-10 (2010) | Institute of Microbial Chemistry | 2D 3D TSV |
| 20728351 | 4 | CD4 mimics targeting the HIV entry mechanism and their hybrid molecules with a CXCR4 antagonist. |
Bioorg Med Chem Lett 20: 5853-8 (2010) | Tokyo Medical and Dental University | 2D 3D TSV |
| 20728350 | 41 | Identification of a new biaryl scaffold generating potent renin inhibitors. |
Bioorg Med Chem Lett 20: 5822-6 (2010) | Merck Frosst Center for Therapeutic Research | 2D 3D TSV |
| 20728251 | 42 | 3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors. |
Eur J Med Chem 45: 4774-82 (2010) | Universit£ degli Studi di Palermo | 2D 3D TSV |
| 20727753 | 15 | Design of a series of bicyclic HIV-1 integrase inhibitors. Part 2: azoles: effective metal chelators. |
Bioorg Med Chem Lett 20: 5909-12 (2010) | Avexa Ltd | 2D 3D TSV |
| 20727752 | 141 | Discovery of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as selective antagonists of the kappa opioid receptor. Part 1. |
Bioorg Med Chem Lett 20: 5847-52 (2010) | AstraZeneca Pharmaceuticals | 2D 3D TSV |
| 20727750 | 9 | Synthesis and biological evaluation of indomethacin analogs possessing a N-difluoromethyl-1,2-dihydropyrid-2-one ring system: a search for novel cyclooxygenase and lipoxygenase inhibitors. |
Bioorg Med Chem Lett 20: 5776-80 (2010) | University of Alberta | 2D 3D TSV |
| 20727749 | 17 | Pyrazolo[1,5-a]pyrimidine acetamides: 4-Phenyl alkyl ether derivatives as potent ligands for the 18 kDa translocator protein (TSPO). |
Bioorg Med Chem Lett 20: 5799-802 (2010) | University of Sydney | 2D 3D TSV |
| 20727748 | 32 | Design of a series of bicyclic HIV-1 integrase inhibitors. Part 1: selection of the scaffold. |
Bioorg Med Chem Lett 20: 5913-7 (2010) | Avexa Ltd | 2D 3D TSV |
| 20727747 | 15 | Discovery of a class of calcium sensing receptor positive allosteric modulators; 1-(benzothiazol-2-yl)-1-phenylethanols. |
Bioorg Med Chem Lett 20: 5918-21 (2010) | ACADIA Pharmaceuticals AB | 2D 3D TSV |
| 20727744 | 10 | Azole derivatives as histamine H3 receptor antagonists, part 2: C-C and C-S coupled heterocycles. |
Bioorg Med Chem Lett 20: 5883-6 (2010) | Johann Wolfgang Goethe University | 2D 3D TSV |
| 20727743 | 64 | Discovery of quinolines as selective glucocorticoid receptor agonists. |
Bioorg Med Chem Lett 20: 5835-8 (2010) | Bayer Schering Pharma AG | 2D 3D TSV |
| 20726512 | 282 | Orally active MMP-1 sparinga-tetrahydropyranyl anda-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease. |
J Med Chem 53: 6653-80 (2010) | Pfizer Inc | 2D 3D TSV |
| 20724166 | 4 | Studies on ligand binding to histidine triad nucleotide binding protein 1. |
Bioorg Med Chem 18: 6756-62 (2010) | University of Maryland | 2D 3D TSV |
| 20724156 | 71 | Discovery of novel, orally available benzimidazoles as melanin concentrating hormone receptor 1 (MCHR1) antagonists. |
Bioorg Med Chem Lett 20: 5443-8 (2010) | Dr. Reddy's Laboratories Ltd | 2D 3D TSV |
| 20724155 | 7 | Prenylflavonoids from Glycyrrhiza uralensis and their protein tyrosine phosphatase-1B inhibitory activities. |
Bioorg Med Chem Lett 20: 5398-401 (2010) | Toho University | 2D 3D TSV |
| 20724153 | 31 | Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors. |
Bioorg Med Chem Lett 20: 5567-71 (2010) | Korea Institute of Science and Technology | 2D 3D TSV |
| 20724152 | 40 | Iminoheterocycles as gamma-secretase modulators. |
Bioorg Med Chem Lett 20: 5380-4 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20724150 | 51 | Pyrido pyrimidinones as selective agonists of the high affinity niacin receptor GPR109A: optimization of in vitro activity. |
Bioorg Med Chem Lett 20: 5426-30 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20724042 | 2 | Computational analysis of ligand recognition sites of homo- and heteropentameric 5-HT3 receptors. |
Eur J Med Chem 45: 4746-60 (2010) | University of Modena and Reggio Emilia | 2D 3D TSV |
| 20724038 | 78 | Synthesis, characterization and antiglaucoma activity of some novel pyrazole derivatives of 5-amino-1,3,4-thiadiazole-2-sulfonamide. |
Eur J Med Chem 45: 4769-73 (2010) | Dumlupinar University | 2D 3D TSV |
| 20722422 | 33 | Discovery of mitogen-activated protein kinase-interacting kinase 1 inhibitors by a comprehensive fragment-oriented virtual screening approach. |
J Med Chem 53: 6618-28 (2010) | Spanish National Cancer Research Centre (CNIO) | 2D 3D TSV |
| 20719511 | 17 | Identification and hit-to-lead optimization of a novel class of CB1 antagonists. |
Bioorg Med Chem Lett 20: 5449-53 (2010) | Ligand Pharmaceuticals Inc | 2D 3D TSV |
| 20719509 | 93 | SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2. |
Bioorg Med Chem Lett 20: 5405-10 (2010) | AstraZeneca Pharmaceuticals | 2D 3D TSV |
| 20719508 | 26 | Identification and optimization of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V3 (V1b) receptor antagonists. |
Bioorg Med Chem Lett 20: 5394-7 (2010) | Ligand Pharmaceuticals Inc | 2D 3D TSV |
| 20719507 | 37 | Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles as dual serotonin 5-HT2C and 5-HT6 receptor ligands. |
Bioorg Med Chem Lett 20: 5431-3 (2010) | University of Copenhagen | 2D 3D TSV |
| 20718494 | 7 | Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury. |
J Med Chem 53: 6003-17 (2010) | Pfizer Inc | 2D 3D TSV |
| 20718493 | 29 | Fragment-based drug discovery applied to Hsp90. Discovery of two lead series with high ligand efficiency. |
J Med Chem 53: 5942-55 (2010) | Astex Therapeutics, Ltd. | 2D 3D TSV |
| 20718492 | 74 | Investigations on the 4-quinolone-3-carboxylic acid motif. 3. Synthesis, structure-affinity relationships, and pharmacological characterization of 6-substituted 4-quinolone-3-carboxamides as highly selective cannabinoid-2 receptor ligands. |
J Med Chem 53: 5915-28 (2010) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 20718440 | 7 | Novel benzimidazole inhibitors bind to a unique site in the kinesin spindle protein motor domain. |
Biochemistry 49: 8350-8 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20718423 | 16 | Design and synthesis of potent"sulfur-free" transition state analogue inhibitors of 5'-methylthioadenosine nucleosidase and 5'-methylthioadenosine phosphorylase. |
J Med Chem 53: 6730-46 (2010) | Industrial Research Limited | 2D 3D TSV |
| 20718420 | 167 | Substituted 4-carboxymethylpyroglutamic acid diamides as potent and selective inhibitors of fibroblast activation protein. |
J Med Chem 53: 6572-83 (2010) | National Health Research Institutes | 2D 3D TSV |
| 20716489 | 12 | FRET-based sensors for the human M1-, M3-, and M5-acetylcholine receptors. |
Bioorg Med Chem 19: 1048-54 (2011) | University of Wuerzburg | 2D 3D TSV |
| 20716488 | 7 | Identification of small molecule compounds with higher binding affinity to guanine deaminase (cypin) than guanine. |
Bioorg Med Chem 18: 6748-55 (2010) | The State University of New Jersey | 2D 3D TSV |
| 20715818 | 78 | Synthesis, stereochemical separation, and biological evaluation of selective inhibitors of human MAO-B: 1-(4-arylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazines. |
J Med Chem 53: 6516-20 (2010) | Sapienza University of Rome | 2D 3D TSV |
| 20712346 | 23 | Discovery of pyridazinopyridinones as potent and selective p38 mitogen-activated protein kinase inhibitors. |
J Med Chem 53: 6398-411 (2010) | Amgen Inc | 2D 3D TSV |
| 20711197 | 12 | Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery. |
Nat Chem Biol 6: 660-6 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20709559 | 16 | Facile synthesis of octahydrobenzo[h]isoquinolines: novel and highly potent D1 dopamine agonists. |
Bioorg Med Chem 18: 6763-70 (2010) | Purdue University | 2D 3D TSV |
| 20709553 | 72 | The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: the second clinical candidate having a shorter and favorable human half-life. |
Bioorg Med Chem Lett 20: 7159-63 (2010) | Pfizer Inc | 2D 3D TSV |
| 20709552 | 36 | Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers. |
Bioorg Med Chem Lett 20: 5536-40 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20709550 | 80 | The discovery of a series of N-substituted 3-(4-piperidinyl)-1,3-benzoxazolinones and oxindoles as highly brain penetrant, selective muscarinic M1 agonists. |
Bioorg Med Chem Lett 20: 5434-8 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20709547 | 69 | The discovery and synthesis of highly potent subtype selective phosphodiesterase 4D inhibitors. |
Bioorg Med Chem Lett 20: 5502-5 (2010) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 20709545 | 31 | Substituted biaryl pyrazoles as sodium channel blockers. |
Bioorg Med Chem Lett 20: 5480-3 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20709544 | 12 | Synthesis of polyhydroxylated aromatics having amidation of piperazine nitrogen as HIV-1 integrase inhibitor. |
Bioorg Med Chem Lett 20: 5469-71 (2010) | Beijing University of Technology | 2D 3D TSV |
| 20708942 | 1 | Rose Bengal analogs and vesicular glutamate transporters (VGLUTs). |
Bioorg Med Chem 18: 6922-33 (2010) | University of Paris | 2D 3D TSV |
| 20708937 | 2 | Novel indolylmaleimide acts as GSK-3beta inhibitor in human neural progenitor cells. |
Bioorg Med Chem 18: 6785-95 (2010) | University of Rostock | 2D 3D TSV |
| 20708933 | 60 | Synthesis and evaluation of amides surrogates of dopamine D3 receptor ligands. |
Bioorg Med Chem Lett 20: 5376-9 (2010) | Université de Rennes I | 2D 3D TSV |
| 20708930 | 36 | The discovery of an orally efficacious positive allosteric modulator of the calcium sensing receptor containing a dibenzylamine core. |
Bioorg Med Chem Lett 20: 5544-7 (2010) | Amgen Inc | 2D 3D TSV |
| 20708929 | 13 | Novel pyrrolidine heterocycles as CCR1 antagonists. |
Bioorg Med Chem Lett 20: 5477-9 (2010) | Ligand Pharmaceuticals Inc | 2D 3D TSV |
| 20708408 | 6 | 1,2,3-triazole analogs of combretastatin A-4 as potential microtubule-binding agents. |
Bioorg Med Chem 18: 6874-85 (2010) | University of Oslo | 2D 3D TSV |
| 20708407 | 52 | Peptidic HIV integrase inhibitors derived from HIV gene products: structure-activity relationship studies. |
Bioorg Med Chem 18: 6771-5 (2010) | Tokyo Medical and Dental University | 2D 3D TSV |
| 20708306 | 68 | Synthesis of new series of quinoxaline based MAO-inhibitors and docking studies. |
Eur J Med Chem 45: 4479-89 (2010) | Alexandria University | 2D 3D TSV |
| 20705461 | 38 | Synthesis and biological activity of N-substituted aminocarbonyl-1,3-dioxolanes as VLA-4 antagonists. |
Bioorg Med Chem Lett 20: 5514-20 (2010) | New Drug Discovery Research | 2D 3D TSV |
| 20704351 | 2 | p-Trifluoromethyldiazirinyl-etomidate: a potent photoreactive general anesthetic derivative of etomidate that is selective for ligand-gated cationic ion channels. |
J Med Chem 53: 6432-44 (2010) | Massachusetts General Hospital | 2D 3D TSV |
| 20702005 | 17 | Synthesis of new 3-aryl-4,5-dihydropyrazole-1-carbothioamide derivatives. An investigation on their ability to inhibit monoamine oxidase. |
Eur J Med Chem 45: 4490-8 (2010) | Dipartimento Farmaco Chimico Tecnologico | 2D 3D TSV |
| 20701394 | 11 | Interaction kinetic and structural dynamic analysis of ligand binding to acetylcholine-binding protein. |
Biochemistry 49: 8143-54 (2010) | Beactica AB | 2D 3D TSV |
| 20698542 | 16 | Identification and development of novel inhibitors of Toxoplasma gondii enoyl reductase. |
J Med Chem 53: 6287-300 (2010) | University of Illinois at Chicago | 2D 3D TSV |
| 20696872 | 19 | Affinity of ceftobiprole for penicillin-binding protein 2b in Streptococcus pneumoniae strains with various susceptibilities to penicillin. |
Antimicrob Agents Chemother 54: 4510-2 (2010) | Johnson & Johnson Pharmaceutical Research & Development | 2D 3D TSV |
| 20696581 | 25 | Xanthones with neuraminidase inhibitory activity from the seedcases of Garcinia mangostana. |
Bioorg Med Chem 18: 6258-64 (2010) | Graduate School of Gyeongsang National University | 2D 3D TSV |
| 20696580 | 54 | Selective inhibition of methoxyflavonoids on human CYP1B1 activity. |
Bioorg Med Chem 18: 6310-5 (2010) | University of Shizuoka | 2D 3D TSV |
| 20695472 | 1 | Identification of a naturally occurring rexinoid, honokiol, that activates the retinoid X receptor. |
J Nat Prod 73: 1332-6 (2010) | Aichi Gakuin University | 2D 3D TSV |
| 20692836 | 45 | [3-azabicyclo[3.1.0]hex-1-yl]phenyl-benzenesulfonamides as selective dopamine D3 antagonists. |
Bioorg Med Chem Lett 20: 5491-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20692833 | 41 | N-tetrahydrothiochromenoisoxazole-1-carboxamides as selective antagonists of cloned human 5-HT2B. |
Bioorg Med Chem Lett 20: 5488-90 (2010) | CSIRO Molecular and Health Technologies | 2D 3D TSV |
| 20692832 | 6 | Identification of a novel NR2B-selective NMDA receptor antagonist using a virtual screening approach. |
Bioorg Med Chem Lett 20: 5552-8 (2010) | Universit£ Paris Descartes | 2D 3D TSV |
| 20692829 | 21 | Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. |
Bioorg Med Chem Lett 20: 5541-3 (2010) | University of Würzburg | 2D 3D TSV |
| 20692738 | 34 | Synthesis and activity of endomorphin-2 and morphiceptin analogues with proline surrogates in position 2. |
Eur J Med Chem 45: 4594-600 (2010) | Sapienza University of Rome | 2D 3D TSV |
| 20692174 | 12 | Synthesis, biological evaluation, and docking studies of novel heterocyclic diaryl compounds as selective COX-2 inhibitors. |
Bioorg Med Chem 18: 6367-76 (2010) | Gazi University | 2D 3D TSV |
| 20691589 | 45 | Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain. |
Bioorg Med Chem Lett 20: 5559-66 (2010) | Roche Palo Alto LLC | 2D 3D TSV |
| 20691511 | 74 | Three-dimensional quantitative structure-activity relationship CoMSIA/CoMFA and LeapFrog studies on novel series of bicyclo [4.1.0] heptanes derivatives as melanin-concentrating hormone receptor R1 antagonists. |
Eur J Med Chem 45: 4509-22 (2010) | Universidad de Cartagena | 2D 3D TSV |
| 20691509 | 47 | QSAR study of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2 using LS-SVM and GRNN based on principal components. |
Eur J Med Chem 45: 4499-508 (2010) | Kermanshah University of Medical Sciences | 2D 3D TSV |
| 20691338 | 24 | Design, synthesis and biological evaluation of new (E)- and (Z)-1,2,3-triaryl-2-propen-1-ones as selective COX-2 inhibitors. |
Eur J Med Chem 45: 4013-7 (2010) | Shahid Beheshti University of Medical Sciences | 2D 3D TSV |
| 20690686 | 52 | Synthesis, in vitro activity, and three-dimensional quantitative structure-activity relationship of novel hydrazine inhibitors of human vascular adhesion protein-1. |
J Med Chem 53: 6301-15 (2010) | FI-40014 University of Jyvaskyla | 2D 3D TSV |
| 20690647 | 33 | Peptidyl alpha-ketoamides with nucleobases, methylpiperazine, and dimethylaminoalkyl substituents as calpain inhibitors. |
J Med Chem 53: 6326-36 (2010) | Georgia Institute of Technology | 2D 3D TSV |
| 20690643 | 68 | Investigation of the histamine H3 receptor binding site. Design and synthesis of hybrid agonists with a lipophilic side chain. |
J Med Chem 53: 6445-56 (2010) | Meiji Seika Kaisha, Ltd | 2D 3D TSV |
| 20690635 | 12 | Discovery of canagliflozin, a novel C-glucoside with thiophene ring, as sodium-dependent glucose cotransporter 2 inhibitor for the treatment of type 2 diabetes mellitus. |
J Med Chem 53: 6355-60 (2010) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 20688523 | 15 | N(G)-Acyl-argininamides as NPY Y(1) receptor antagonists: Influence of structurally diverse acyl substituents on stability and affinity. |
Bioorg Med Chem 18: 6292-304 (2010) | Universität Regensburg | 2D 3D TSV |
| 20688519 | 58 | Two distinct classes of novel pyrazolinecarboxamides as potent cannabinoid CB1 receptor agonists. |
Bioorg Med Chem Lett 20: 4992-8 (2010) | Abbott Healthcare Products BV | 2D 3D TSV |
| 20688518 | 84 | S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase. |
Bioorg Med Chem Lett 20: 5126-9 (2010) | University of Shizuoka | 2D 3D TSV |
| 20687610 | 12 | Development of potent glucagon-like peptide-1 agonists with high enzyme stability via introduction of multiple lactam bridges. |
J Med Chem 53: 6412-20 (2010) | University of Texas at Dallas | 2D 3D TSV |
| 20685126 | 24 | Antiviral agents 2. Synthesis of trimeric naphthoquinone analogues of conocurvone and their antiviral evaluation against HIV. |
Bioorg Med Chem 18: 6442-50 (2010) | Monash University (Parkville Campus) | 2D 3D TSV |
| 20685120 | 20 | Synthesis of pyrrolomorphinan derivatives as kappa opioid agonists. |
Bioorg Med Chem Lett 20: 5035-8 (2010) | Kitasato University | 2D 3D TSV |
| 20685119 | 37 | Penta-substituted benzimidazoles as potent antagonists of the calcium-sensing receptor (CaSR-antagonists). |
Bioorg Med Chem Lett 20: 5161-4 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20685118 | 97 | The synthesis and structure-activity relationship of 4-benzimidazolyl-piperidinylcarbonyl-piperidine analogs as histamine H3 antagonists. |
Bioorg Med Chem Lett 20: 5004-8 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20684859 | 12 | Homology modeling and atomic level binding study of GABA(A) receptor with novel enaminone amides. |
Eur J Med Chem 45: 3595-600 (2010) | Wuhan Institute of Technology | 2D 3D TSV |
| 20684615 | 3 | Synthesis and resolution of cis-(+/-)-methyl (1R,2S/1S,2R)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropanecarboxylate [(+/-)-PPCC)]: new sigma receptor ligands with neuroprotective effect. |
J Med Chem 53: 5881-5 (2010) | University of Catania | 2D 3D TSV |
| 20684611 | 22 | Design of potent inhibitors of human RAD51 recombinase based on BRC motifs of BRCA2 protein: modeling and experimental validation of a chimera peptide. |
J Med Chem 53: 5782-91 (2010) | Centre National de la Recherche Scientifique & Universite de Nantes | 2D 3D TSV |
| 20684610 | 73 | Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prostate cancer. |
J Med Chem 53: 5749-58 (2010) | Saarland University | 2D 3D TSV |
| 20684608 | 73 | Tetrahydroisoquinoline derivatives as highly selective and potent Rho kinase inhibitors. |
J Med Chem 53: 5727-37 (2010) | The Scripps Research Institute | 2D 3D TSV |
| 20684606 | 68 | Synthesis and in vivo evaluation of phenethylpiperazine amides: selective 5-hydroxytryptamine(2A) receptor antagonists for the treatment of insomnia. |
J Med Chem 53: 5696-706 (2010) | Arena Pharmaceuticals | 2D 3D TSV |
| 20684605 | 6 | Crystal structure-based selective targeting of the pyridoxal 5'-phosphate dependent enzyme kynurenine aminotransferase II for cognitive enhancement. |
J Med Chem 53: 5684-9 (2010) | University of Piemonte Orientale Amedeo Avogadro | 2D 3D TSV |
| 20684604 | 46 | Design, synthesis, enzyme-inhibitory activity, and effect on human cancer cells of a novel series of jumonji domain-containing protein 2 histone demethylase inhibitors. |
J Med Chem 53: 5629-38 (2010) | Nagoya City University | 2D 3D TSV |
| 20684603 | 101 | Discovery of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as potent, selective dipeptidyl peptidase-4 (DPP4) inhibitors. |
J Med Chem 53: 5620-8 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20684602 | 2 | An efficient approach to the discovery of potent inhibitors against glycosyltransferases. |
J Med Chem 53: 5607-19 (2010) | Hokkaido University | 2D 3D TSV |
| 20684600 | 53 | Biological diversity from a structurally diverse library: systematically scanning conformational space using a pyranose scaffold. |
J Med Chem 53: 5576-86 (2010) | Alchemia Ltd | 2D 3D TSV |
| 20684598 | 48 | Development and characterization of new inhibitors of the human and mouse hematopoietic prostaglandin D(2) synthases. |
J Med Chem 53: 5536-48 (2010) | The University of Queensland | 2D 3D TSV |
| 20684597 | 19 | Identification of the first low-molecular-weight inhibitors of matriptase-2. |
J Med Chem 53: 5523-35 (2010) | University of Bonn | 2D 3D TSV |
| 20684596 | 1 | A novel water-soluble gossypol derivative increases chemotherapeutic sensitivity and promotes growth inhibition in colon cancer. |
J Med Chem 53: 5502-10 (2010) | Institute of Health Sciences | 2D 3D TSV |
| 20684595 | 374 | Quinazolin-4-one derivatives: A novel class of noncompetitive NR2C/D subunit-selective N-methyl-D-aspartate receptor antagonists. |
J Med Chem 53: 5476-90 (2010) | Emory University | 2D 3D TSV |
| 20684594 | 71 | Phenylsulfonylfuroxans as modulators of multidrug-resistance-associated protein-1 and P-glycoprotein. |
J Med Chem 53: 5467-75 (2010) | Universita degli Studi di Torino | 2D 3D TSV |
| 20684592 | 83 | Identification of potent and selective amidobipyridyl inhibitors of protein kinase D. |
J Med Chem 53: 5422-38 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20684591 | 87 | Identification of orally available naphthyridine protein kinase D inhibitors. |
J Med Chem 53: 5400-21 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20684567 | 38 | Novel carbamates as orally active acetylcholinesterase inhibitors found to improve scopolamine-induced cognition impairment: pharmacophore-based virtual screening, synthesis, and pharmacology. |
J Med Chem 53: 6490-505 (2010) | Central Drug Research Institute | 2D 3D TSV |
| 20684563 | 176 | Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 receptor agonist with unprecedented selectivity and procognitive potential. |
J Med Chem 53: 6386-97 (2010) | H. Lundbeck A/S | 2D 3D TSV |
| 20684551 | 40 | Nonpeptidic and potent small-molecule inhibitors of cIAP-1/2 and XIAP proteins. |
J Med Chem 53: 6361-7 (2010) | University of Michigan | 2D 3D TSV |
| 20684549 | 76 | Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor. |
J Med Chem 53: 6368-77 (2010) | Amgen Inc | 2D 3D TSV |
| 20682786 | 6 | Identification of novel inhibitors of 1-aminocyclopropane-1-carboxylic acid synthase by chemical screening in Arabidopsis thaliana. |
J Biol Chem 285: 33445-56 (2010) | National Defense Medical Center | 2D 3D TSV |
| 20681583 | 7 | Novel N-methylated 8-oxoisoguanines from Pacific sponges with diverse neuroactivities. |
J Med Chem 53: 6089-99 (2010) | Hokkaido University | 2D 3D TSV |
| 20681538 | 61 | Discovery of pyrrole-indoline-2-ones as Aurora kinase inhibitors with a different inhibition profile. |
J Med Chem 53: 5929-41 (2010) | Development Center for Biotechnology | 2D 3D TSV |
| 20678931 | 23 | Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 2, optimization for blood pressure reduction in spontaneously hypertensive rats. |
Bioorg Med Chem Lett 20: 5153-6 (2010) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 20675137 | 17 | Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase. |
Bioorg Med Chem Lett 20: 5027-30 (2010) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 20675136 | 5 | Synthesis and biological evaluation of oxoindolin-3-ylidene ethyl benzothiohydrazides as non-peptide TPO mimics. |
Bioorg Med Chem Lett 20: 5062-4 (2010) | Shanghai Hengrui Pharmaceuticals Co., Ltd | 2D 3D TSV |
| 20675134 | 88 | Discovery of imidazo[1,2-b]pyridazine derivatives as IKKbeta inhibitors. Part 1: Hit-to-lead study and structure-activity relationship. |
Bioorg Med Chem Lett 20: 5113-8 (2010) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 20675133 | 32 | SAR studies of non-zinc-chelating MMP-13 inhibitors: improving selectivity and metabolic stability. |
Bioorg Med Chem Lett 20: 5039-43 (2010) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 20675132 | 24 | Synthesis and biochemical evaluation of a range of (4-substituted phenyl)sulfonate derivatives of 4-hydroxybenzyl imidazole-based compounds as potent inhibitors of 17alpha-hydroxylase/17,20-lyase (P45017alpha) derived from rat testicular microsomes. |
Bioorg Med Chem Lett 20: 5345-8 (2010) | University of the West of Scotland | 2D 3D TSV |
| 20674373 | 84 | Design, synthesis, and pharmacological effects of structurally simple ligands for MT(1) and MT(2) melatonin receptors. |
Bioorg Med Chem 18: 6496-511 (2010) | Universit£ degli Studi di Bari | 2D 3D TSV |
| 20674368 | 12 | New effective inhibitors of the Abelson kinase. |
Bioorg Med Chem 18: 6316-21 (2010) | Iowa State University | 2D 3D TSV |
| 20674358 | 14 | Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 2: Discovery of highly potent anti-HIV agents. |
Bioorg Med Chem Lett 20: 5334-6 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20674357 | 66 | Novel imidazobenzazepine derivatives as dual H1/5-HT2A antagonists for the treatment of sleep disorders. |
Bioorg Med Chem Lett 20: 5069-73 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20674356 | 41 | Synthesis of selenophene derivatives as novel CHK1 inhibitors. |
Bioorg Med Chem Lett 20: 5065-8 (2010) | Development Center for Biotechnology | 2D 3D TSV |
| 20674355 | 58 | Pyrrolo[1,2-a]pyrazine and pyrazolo[1,5-a]pyrazine: novel, potent, and selective series of Vasopressin 1b receptor antagonists. |
Bioorg Med Chem Lett 20: 5044-9 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20674354 | 79 | Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. |
Bioorg Med Chem Lett 20: 5050-3 (2010) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 20674352 | 50 | Inhibition of interleukin-1beta converting enzyme (ICE or caspase 1) by aspartyl acyloxyalkyl ketones and aspartyl amidooxyalkyl ketones. |
Bioorg Med Chem Lett 20: 5089-94 (2010) | Pfizer Inc | 2D 3D TSV |
| 20674351 | 15 | Development of 2-pyrrolidinyl-N-methyl pyrimidones as potent and orally bioavailable HIV integrase inhibitors. |
Bioorg Med Chem Lett 20: 5031-4 (2010) | IRBM-MRL | 2D 3D TSV |
| 20674350 | 63 | Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors. |
Bioorg Med Chem Lett 20: 5170-4 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20674099 | 48 | Inhibition of monoamine oxidase by indole and benzofuran derivatives. |
Eur J Med Chem 45: 4458-66 (2010) | North-West University | 2D 3D TSV |
| 20673729 | 60 | Discovery of 2-(4-((1H-1,2,4-triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-thiadiazole (GCC2680) as a potent, selective and orally efficacious cannabinoid-1 receptor antagonist. |
Bioorg Med Chem 18: 6377-88 (2010) | Green Cross Corporation | 2D 3D TSV |
| 20673728 | 10 | Discovery of achiral inhibitors of the hepatitis C virus NS3 protease based on 2(1H)-pyrazinones. |
Bioorg Med Chem 18: 6512-25 (2010) | Uppsala University | 2D 3D TSV |
| 20673725 | 22 | Design, synthesis and anticholinesterase activity of a novel series of 1-benzyl-4-((6-alkoxy-3-oxobenzofuran-2(3H)-ylidene) methyl) pyridinium derivatives. |
Bioorg Med Chem 18: 6360-6 (2010) | Tehran University of Medical Sciences | 2D 3D TSV |
| 20673724 | 33 | Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase. |
Bioorg Med Chem 18: 6526-37 (2010) | Northwestern University | 2D 3D TSV |
| 20673718 | 5 | Addressing time-dependent CYP 3A4 inhibition observed in a novel series of substituted amino propanamide renin inhibitors, a case study. |
Bioorg Med Chem Lett 20: 5074-9 (2010) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 20673717 | 30 | Discovery and structure-activity relationships of a series of pyroglutamic acid amide antagonists of the P2X7 receptor. |
Bioorg Med Chem Lett 20: 5080-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20673630 | 38 | Discovery of a novel class of triazolones as checkpoint kinase inhibitors--hit to lead exploration. |
Bioorg Med Chem Lett 20: 5133-8 (2010) | AstraZeneca R&D Boston | 2D 3D TSV |
| 20672825 | 67 | Structure-activity relationships for a novel series of citalopram (1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile) analogues at monoamine transporters. |
J Med Chem 53: 6112-21 (2010) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
| 20672822 | 108 | Discovery of (3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid (PF-3882845), an orally efficacious mineralocorticoid receptor (MR) antagonist for hypertension and nephropathy. |
J Med Chem 53: 5979-6002 (2010) | Pfizer Inc | 2D 3D TSV |
| 20672820 | 92 | Discovery of novel cyanodihydropyridines as potent mineralocorticoid receptor antagonists. |
J Med Chem 53: 5970-8 (2010) | Pfizer Inc | 2D 3D TSV |
| 20672340 | 166 | Comparison of the activity of non-steroidal ecdysone agonists between dipteran and lepidopteran insects, using cell-based EcR reporter assays. |
Pest Manag Sci 66: 1215-29 (2010) | Ghent University | 2D 3D TSV |
| 20669983 | 1 | Effects of 7-O substitutions on estrogenic and anti-estrogenic activities of daidzein analogues in MCF-7 breast cancer cells. |
J Med Chem 53: 6153-63 (2010) | Xavier University of Louisiana | 2D 3D TSV |
| 20669972 | 18 | Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton. |
J Med Chem 53: 6100-11 (2010) | Georgia Institute of Technology | 2D 3D TSV |
| 20669927 | 41 | Medicinal chemistry as a conduit for the modulation of quorum sensing. |
J Med Chem 53: 7467-89 (2010) | The Scripps Research Institute | 2D 3D TSV |
| 20667742 | 3 | NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin. |
Bioorg Med Chem 18: 5835-44 (2010) | Kitasato University | 2D 3D TSV |
| 20667741 | 11 | Design, synthesis, and biological evaluation of prenylated chalcones as 5-LOX inhibitors. |
Bioorg Med Chem 18: 5807-15 (2010) | University of Hyderabad | 2D 3D TSV |
| 20667740 | 32 | Novel tricyclic pyrazole BRAF inhibitors with imidazole or furan central scaffolds. |
Bioorg Med Chem 18: 6934-52 (2010) | The Institute of Cancer Research | 2D 3D TSV |
| 20667734 | 18 | Synthesis of a series of novel 2,4,5-trisubstituted selenazole compounds as potential PLTP inhibitors. |
Bioorg Med Chem Lett 20: 5123-5 (2010) | Beijing Institute of Pharmacology and Toxicology | 2D 3D TSV |
| 20667732 | 23 | Synthesis and SAR of novel, 4-(phenylsulfamoyl)phenylacetamide mGlu4 positive allosteric modulators (PAMs) identified by functional high-throughput screening (HTS). |
Bioorg Med Chem Lett 20: 5175-8 (2010) | Vanderbilt University Medical Center | 2D 3D TSV |
| 20667729 | 86 | Discovery of substituted benzyl tetrazoles as histamine H3 receptor antagonists. |
Bioorg Med Chem Lett 20: 5165-9 (2010) | Evotec (UK) Ltd | 2D 3D TSV |
| 20667726 | 3 | Fluorescent retinoid X receptor ligands for fluorescence polarization assay. |
Bioorg Med Chem Lett 20: 5143-6 (2010) | Okayama University | 2D 3D TSV |
| 20667724 | 2 | Discovery of cannabinoid-1 receptor antagonists by virtual screening. |
Bioorg Med Chem Lett 20: 5130-2 (2010) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 20666484 | 40 | Novel octreotide dicarba-analogues with high affinity and different selectivity for somatostatin receptors. |
J Med Chem 53: 6188-97 (2010) | University of Firenze | 2D 3D TSV |
| 20666458 | 8 | Identification and characterization of acidic mammalian chitinase inhibitors. |
J Med Chem 53: 6122-8 (2010) | Pfizer Inc | 2D 3D TSV |
| 20666457 | 40 | Discovery and mechanistic study of a class of protein arginine methylation inhibitors. |
J Med Chem 53: 6028-39 (2010) | Georgia State University | 2D 3D TSV |
| 20666436 | 56 | Dipeptidyl-quinolone derivatives inhibit hypoxia inducible factor-1a prolyl hydroxylases-1, -2, and -3 with altered selectivity. |
J Comb Chem 12: 676-86 (2010) | Amgen Inc | 2D 3D TSV |
| 20666371 | 1 | Aryl phosphoramidates of 5-phospho erythronohydroxamic acid, a new class of potent trypanocidal compounds. |
J Med Chem 53: 6071-8 (2010) | University of Dundee | 2D 3D TSV |
| 20665773 | 16 | Structural and thermodynamic analyses of α-L-fucosidase inhibitors. |
Chembiochem 11: 1971-4 (2010) | University of York | 2D 3D TSV |
| 20663669 | 36 | Biaryl substituted hydantoin compounds as TACE inhibitors. |
Bioorg Med Chem Lett 20: 5286-9 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20663668 | 43 | A novel series of [3.2.1] azabicyclic biaryl ethers as alpha3beta4 and alpha6/4beta4 nicotinic receptor agonists. |
Bioorg Med Chem Lett 20: 4749-52 (2010) | Pfizer Inc | 2D 3D TSV |
| 20663667 | 31 | Optimization of alpha-ketoamide based p38 inhibitors through modifications to the region that binds to the allosteric site. |
Bioorg Med Chem Lett 20: 4819-24 (2010) | K£mia, Inc. | 2D 3D TSV |
| 20662543 | 18 | Synthesis and antiproliferative evaluation of certain indeno[1,2-c]quinoline derivatives. Part 2. |
J Med Chem 53: 6164-79 (2010) | Kaohsiung Medical University | 2D 3D TSV |
| 20662542 | 64 | Design, synthesis, and structure-affinity relationships of regioisomeric N-benzyl alkyl ether piperazine derivatives as sigma-1 receptor ligands. |
J Med Chem 53: 6228-39 (2010) | University of Sydney | 2D 3D TSV |
| 20660667 | 6 | Lersivirine, a nonnucleoside reverse transcriptase inhibitor with activity against drug-resistant human immunodeficiency virus type 1. |
Antimicrob Agents Chemother 54: 4451-63 (2010) | Pfizer Inc. | 2D 3D TSV |
| 20660663 | 11 | Expression, purification, and characterization of Aspergillus fumigatus sterol 14-alpha demethylase (CYP51) isoenzymes A and B. |
Antimicrob Agents Chemother 54: 4225-34 (2010) | Swansea University | 2D 3D TSV |
| 20659804 | 19 | Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo analgesic activity. |
Bioorg Med Chem 18: 5938-44 (2010) | Ewha Womans University | 2D 3D TSV |
| 20659802 | 52 | Hit-to-lead optimization of a series of carboxamides of ethyl 2-amino-4-phenylthiazole-5-carboxylates as novel adenosine A2A receptor antagonists. |
Bioorg Med Chem Lett 20: 5241-4 (2010) | H. Lundbeck A/S | 2D 3D TSV |
| 20659801 | 6 | A mutant selective anti-estrogen is a pure antagonist on EREs and AP-1 response elements. |
Bioorg Med Chem Lett 20: 5258-61 (2010) | University of Delaware | 2D 3D TSV |
| 20659799 | 10 | New halogenated 3-phenylcoumarins as potent and selective MAO-B inhibitors. |
Bioorg Med Chem Lett 20: 5157-60 (2010) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 20656495 | 56 | Multipotent drugs with cholinergic and neuroprotective properties for the treatment of Alzheimer and neuronal vascular diseases. I. Synthesis, biological assessment, and molecular modeling of simple and readily available 2-aminopyridine-, and 2-chloropyridine-3,5-dicarbonitriles. |
Bioorg Med Chem 18: 5861-72 (2010) | Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) | 2D 3D TSV |
| 20656494 | 11 | Characterization of new PPARgamma agonists: benzimidazole derivatives-importance of positions 5 and 6, and computational studies on the binding mode. |
Bioorg Med Chem 18: 5885-95 (2010) | Freie Universität Berlin | 2D 3D TSV |
| 20656488 | 61 | Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1). |
Bioorg Med Chem Lett 20: 5184-90 (2010) | Pfizer Inc | 2D 3D TSV |
| 20656487 | 45 | Fragment-based discovery and optimization of BACE1 inhibitors. |
Bioorg Med Chem Lett 20: 5329-33 (2010) | Evotec UK Ltd | 2D 3D TSV |
| 20656484 | 3 | Modification at the acidic domain of RXR agonists has little effect on permissive RXR-heterodimer activation. |
Bioorg Med Chem Lett 20: 5139-42 (2010) | Okayama University | 2D 3D TSV |
| 20656482 | 36 | Synthesis and in vitro binding studies of piperazine-alkyl-naphthamides: impact of homology and sulphonamide/carboxamide bioisosteric replacement on the affinity for 5-HT1A, alpha2A, D4.2, D3 and D2L receptors. |
Bioorg Med Chem Lett 20: 5199-202 (2010) | University of Liège | 2D 3D TSV |
| 20655754 | 2 | Improved inhibition of the histone acetyltransferase PCAF by an anacardic acid derivative. |
Bioorg Med Chem 18: 5826-34 (2010) | Groningen Research Institute of Pharmacy | 2D 3D TSV |
| 20655748 | 92 | Synthesis and SAR of (piperazin-1-yl-phenyl)-arylsulfonamides: a novel series of atypical antipsychotic agents. |
Bioorg Med Chem Lett 20: 5221-4 (2010) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 20655626 | 21 | Synthesis and CYP24A1 inhibitory activity of (E)-2-(2-substituted benzylidene)- and 2-(2-substituted benzyl)-6-methoxy-tetralones. |
Eur J Med Chem 45: 4427-34 (2010) | Cardiff University | 2D 3D TSV |
| 20655237 | 8 | Natural and semisynthetic azaphilones as a new scaffold for Hsp90 inhibitors. |
Bioorg Med Chem 18: 6031-43 (2010) | Universit£ di Milano | 2D 3D TSV |
| 20655219 | 7 | Structure-activity studies on acetylcholinesterase inhibition in the lycorine series of Amaryllidaceae alkaloids. |
Bioorg Med Chem Lett 20: 5290-4 (2010) | McMaster University | 2D 3D TSV |
| 20655218 | 72 | A physical properties based approach for the exploration of a 4-hydroxybenzothiazolone series of beta2-adrenoceptor agonists as inhaled long-acting bronchodilators. |
Bioorg Med Chem Lett 20: 5302-7 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20655213 | 31 | Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists. |
Bioorg Med Chem Lett 20: 5269-73 (2010) | Sunesis Pharmaceuticals Inc | 2D 3D TSV |
| 20655211 | 18 | Triaryl (Z)-olefins suitable for radiolabeling with carbon-11 or fluorine-18 radionuclides for positron emission tomography imaging of cyclooxygenase-2 expression in pathological disease. |
Bioorg Med Chem Lett 20: 5245-50 (2010) | University of Alberta | 2D 3D TSV |
| 20655210 | 3 | X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: insights into the rational design of DFG-out binding MAP kinase inhibitors. |
Bioorg Med Chem Lett 20: 5217-20 (2010) | Roche Palo Alto | 2D 3D TSV |
| 20655209 | 18 | Synthesis of N-aryl-3-(indol-3-yl)propanamides and their immunosuppressive activities. |
Bioorg Med Chem Lett 20: 5203-6 (2010) | Université de Nantes | 2D 3D TSV |
| 20650641 | 16 | Design, synthesis, and biological evaluation of ketoprofen analogs as potent cyclooxygenase-2 inhibitors. |
Bioorg Med Chem 18: 5855-60 (2010) | Shahid Beheshti University of Medical Sciences | 2D 3D TSV |
| 20650640 | 24 | Dual inhibitors of inosine monophosphate dehydrogenase and histone deacetylase based on a cinnamic hydroxamic acid core structure. |
Bioorg Med Chem 18: 5950-64 (2010) | University of Minnesota | 2D 3D TSV |
| 20650636 | 118 | Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-[[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide] as a clinical candidate. |
Bioorg Med Chem Lett 20: 5313-9 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20650635 | 12 | Novel Notch-sparing gamma-secretase inhibitors derived from a peroxisome proliferator-activated receptor agonist library. |
Bioorg Med Chem Lett 20: 5282-5 (2010) | Okayama University Graduate School of Medicine | 2D 3D TSV |
| 20650633 | 12 | Identification of novel monoamine oxidase B inhibitors by structure-based virtual screening. |
Bioorg Med Chem Lett 20: 5295-8 (2010) | Northeastern Ohio Universities | 2D 3D TSV |
| 20646926 | 13 | The GABA(A) receptor as a target for photochromic molecules. |
Bioorg Med Chem 18: 7731-8 (2010) | University of Massachusetts | 2D 3D TSV |
| 20643554 | 32 | Synthesis of aryl-heteroaryl ureas (AHUs) based on 4-aminoquinoline and their evaluation against the insulin-like growth factor receptor (IGF-1R). |
Bioorg Med Chem 18: 5995-6005 (2010) | San Francisco State University | 2D 3D TSV |
| 20643547 | 39 | 4-Anilino-6-phenyl-quinoline inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2). |
Bioorg Med Chem Lett 20: 4738-40 (2010) | AstraZeneca R & D Lund | 2D 3D TSV |
| 20643546 | 10 | Synthesis and cannabinoid-1 receptor binding affinity of conformationally constrained analogs of taranabant. |
Bioorg Med Chem Lett 20: 4757-61 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20639113 | 23 | An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity. |
Bioorg Med Chem 18: 5425-40 (2010) | Brain Mind Institute | 2D 3D TSV |
| 20638853 | 12 | Functional profiling of p53-binding sites in Hdm2 and Hdmx using a genetic selection system. |
Bioorg Med Chem 18: 6099-108 (2010) | Purdue University | 2D 3D TSV |
| 20638844 | 25 | 1-Methyl-1H-pyrrole-2-carbonitrile containing tetrahydronaphthalene derivatives as non-steroidal progesterone receptor antagonists. |
Bioorg Med Chem Lett 20: 4816-8 (2010) | Pfizer Inc | 2D 3D TSV |
| 20638843 | 3 | Discovery of novel alpha7 nicotinic receptor antagonists. |
Bioorg Med Chem Lett 20: 4825-30 (2010) | Intra-Cellular Therapies Inc | 2D 3D TSV |
| 20638757 | 89 | Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies. |
Eur J Med Chem 45: 4307-15 (2010) | University of Calcutta | 2D 3D TSV |
| 20638756 | 1 | Inhibitors of human neutrophil elastase based on a highly functionalized N-amino-4-imidazolidinone scaffold. |
Eur J Med Chem 45: 4280-7 (2010) | Wichita State University | 2D 3D TSV |
| 20638755 | 15 | Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay. |
Eur J Med Chem 45: 4316-30 (2010) | University of Jordan | 2D 3D TSV |
| 20638290 | 9 | A new metabotropic glutamate receptor agonist with in vivo anti-allodynic activity. |
Bioorg Med Chem 18: 6089-98 (2010) | The University of Adelaide | 2D 3D TSV |
| 20638287 | 16 | Synthesis of novel 3,5-diaryl pyrazole derivatives using combinatorial chemistry as inhibitors of tyrosinase as well as potent anticancer, anti-inflammatory agents. |
Bioorg Med Chem 18: 6149-55 (2010) | Solapur University | 2D 3D TSV |
| 20638281 | 56 | Structure and activity relationships of tartrate-based TACE inhibitors. |
Bioorg Med Chem Lett 20: 4812-5 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20638280 | 1 | Refinement of the pharmacophore of 3,4-dihydroquinazoline-2(1H)-thiones for their anti-melanogenesis activity. |
Bioorg Med Chem Lett 20: 4771-3 (2010) | Chungnam National University | 2D 3D TSV |
| 20638279 | 46 | An orally bioavailable positive allosteric modulator of the mGlu4 receptor with efficacy in an animal model of motor dysfunction. |
Bioorg Med Chem Lett 20: 4901-5 (2010) | Evotec (UK) Ltd | 2D 3D TSV |
| 20638278 | 145 | Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists. |
Bioorg Med Chem Lett 20: 4911-7 (2010) | Phenex Pharmaceuticals AG | 2D 3D TSV |
| 20637637 | 46 | Role of 2',6'-dimethyl-l-tyrosine (Dmt) in some opioid lead compounds. |
Bioorg Med Chem 18: 6024-30 (2010) | University of Cagliari | 2D 3D TSV |
| 20637636 | 18 | Synthesis of pyridazine and thiazole analogs as SGLT2 inhibitors. |
Bioorg Med Chem 18: 6069-79 (2010) | Green Cross Corporation | 2D 3D TSV |
| 20637635 | 180 | Further optimization of novel pyrrole 3-carboxamides for targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant. |
Bioorg Med Chem 18: 6156-69 (2010) | Green Cross Corporation | 2D 3D TSV |
| 20637634 | 48 | Novel aminopeptidase N (APN/CD13) inhibitors derived from 3-phenylalanyl-N'-substituted-2,6-piperidinedione. |
Bioorg Med Chem 18: 5981-7 (2010) | Shandong University | 2D 3D TSV |
| 20637613 | 4 | Tetrahydropyridine derivatives with inhibitory activity on the production of proinflammatory cytokines: part 3. |
Bioorg Med Chem Lett 20: 4774-8 (2010) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 20637612 | 4 | Integrated ligand and structure based studies of flavonoids as fatty acid biosynthesis inhibitors of Plasmodium falciparum. |
Bioorg Med Chem Lett 20: 4779-81 (2010) | CSIR-Central Drug Research Institute | 2D 3D TSV |
| 20637607 | 39 | 3-D-QSAR and docking studies on the neuronal choline transporter. |
Bioorg Med Chem Lett 20: 4870-7 (2010) | Northeastern Ohio Universities Colleges of Medicine and Pharmacy | 2D 3D TSV |
| 20637529 | 15 | Design and synthesis of novel isoxazole-based HDAC inhibitors. |
Eur J Med Chem 45: 4331-8 (2010) | Università degli Studi di Milano | 2D 3D TSV |
| 20636331 | 4 | Structural combination of established 5-HT(2A) receptor ligands: new aspects of the binding mode. |
Chem Biol Drug Des 76: 361-6 (2010) | University of Mainz | 2D 3D TSV |
| 20634081 | 9 | New bioactive halenaquinone derivatives from South Pacific marine sponges of the genus Xestospongia. |
Bioorg Med Chem 18: 6006-11 (2010) | National Museum of Natural History | 2D 3D TSV |
| 20634080 | 4 | Syntheses and pharmacological characterization of novel thiazole derivatives as potential mGluR5 PET ligands. |
Bioorg Med Chem 18: 6044-54 (2010) | ETH Zurich (Swiss Federal Institute of Technology) | 2D 3D TSV |
| 20634071 | 41 | Synthesis and biological activity of a series of tetrasubstituted-imidazoles as P2X(7) antagonists. |
Bioorg Med Chem Lett 20: 4951-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20634069 | 42 | Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents. |
Bioorg Med Chem Lett 20: 4789-94 (2010) | Elan Pharmaceuticals | 2D 3D TSV |
| 20634068 | 2 | Discovery and optimization of pyrazoline compounds as B-Raf inhibitors. |
Bioorg Med Chem Lett 20: 4800-4 (2010) | Millennium Pharmaceuticals Inc | 2D 3D TSV |
| 20634067 | 23 | Design, synthesis, and structure-activity relationship study of conformationally constrained analogs of indole-3-carboxamides as novel CB1 cannabinoid receptor agonists. |
Bioorg Med Chem Lett 20: 4918-21 (2010) | Schering-Plough Research Institute | 2D 3D TSV |
| 20634066 | 13 | Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution. |
Bioorg Med Chem Lett 20: 4836-9 (2010) | Kyoto Pharmaceutical University | 2D 3D TSV |
| 20630765 | 58 | New chloro,fluorobenzylindole derivatives as integrase strand-transfer inhibitors (INSTIs) and their mode of action. |
Bioorg Med Chem 18: 5510-8 (2010) | Universit£ di Messina | 2D 3D TSV |
| 20630764 | 28 | N(epsilon)-Modified lysine containing inhibitors for SIRT1 and SIRT2. |
Bioorg Med Chem 18: 5616-25 (2010) | University of Eastern Finland | 2D 3D TSV |
| 20630754 | 33 | Synthesis and structure-activity relationship of N-(3-azabicyclo[3.1.0]hex-6-ylmethyl)-5-(2-pyridinyl)-1,3-thiazol-2-amines derivatives as NPY Y5 antagonists. |
Bioorg Med Chem Lett 20: 4741-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20630752 | 40 | Discovery and optimization of N-acyl and N-aroylpyrazolines as B-Raf kinase inhibitors. |
Bioorg Med Chem Lett 20: 4795-9 (2010) | Millennium Pharmaceuticals Inc | 2D 3D TSV |
| 20627738 | 32 | Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine. |
Bioorg Med Chem 18: 4687-93 (2011) | National Institute on Aging | 2D 3D TSV |
| 20627722 | 89 | Identification of a sulfonamide series of CCR2 antagonists. |
Bioorg Med Chem Lett 20: 3961-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20627597 | 47 | Synthesis and biological evaluation of pyrazole derivatives containing thiourea skeleton as anticancer agents. |
Bioorg Med Chem 18: 4606-14 (2011) | Nanjing University | 2D 3D TSV |
| 20627594 | 2 | Inhibition of prolyl oligopeptidase with a synthetic unnatural dipeptide. |
Bioorg Med Chem 18: 4775-82 (2011) | The University of Warwick | 2D 3D TSV |
| 20627591 | 20 | Design and synthesis of novel hydroxyalkylaminomethylchromones for their IL-5 inhibitory activity. |
Bioorg Med Chem 18: 4625-9 (2011) | Chungnam National University | 2D 3D TSV |
| 20627564 | 51 | Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases. |
Bioorg Med Chem Lett 20: 3863-7 (2010) | Walter Reed Army Institute of Research | 2D 3D TSV |
| 20627562 | 1 | Cell cycle arrest and cytochrome c-mediated apoptotic induction by MCS-5A is associated with up-regulation of p16(INK4a) in HL-60 cells. |
Bioorg Med Chem Lett 20: 3880-4 (2010) | Kyunggi-Do | 2D 3D TSV |
| 20627559 | 6 | Inhibition of ABCG2-mediated drug efflux by naphthopyrones from marine crinoids. |
Bioorg Med Chem Lett 20: 3848-50 (2010) | NCI-Frederick | 2D 3D TSV |
| 20627557 | 9 | Design and synthesis of benzoazepin-2-one analogs as allosteric binders targeting the PIF pocket of PDK1. |
Bioorg Med Chem Lett 20: 3897-902 (2010) | Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
| 20627471 | 54 | Synthesis and evaluation of some novel dibenzo[b,d]furan carboxylic acids as potential anti-diabetic agents. |
Eur J Med Chem 45: 3709-18 (2010) | Glenmark Research Center | 2D 3D TSV |
| 20626411 | 14 | Fragment-based discovery of novel thymidylate synthase leads by NMR screening and group epitope mapping. |
Chem Biol Drug Des 76: 218-33 (2010) | University of Washington | 2D 3D TSV |
| 20625148 | 51 | Chemical validation of phosphodiesterase C as a chemotherapeutic target in Trypanosoma cruzi, the etiological agent of Chagas' disease. |
Antimicrob Agents Chemother 54: 3738-45 (2010) | University of Georgia | 2D 3D TSV |
| 20624682 | 24 | Mutation of Phe91 to Asn in human carbonic anhydrase I unexpectedly enhanced both catalytic activity and affinity for sulfonamide inhibitors. |
Bioorg Med Chem 18: 5498-503 (2010) | Balikesir University | 2D 3D TSV |
| 20621730 | 30 | Synthesis and biological evaluation of oxazole derivatives as T-type calcium channel blockers. |
Bioorg Med Chem Lett 20: 4219-22 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 20621728 | 19 | Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors. |
Bioorg Med Chem Lett 20: 4156-8 (2010) | Takeda California Inc | 2D 3D TSV |
| 20621725 | 9 | Structure-based optimization of potent PDK1 inhibitors. |
Bioorg Med Chem Lett 20: 4095-9 (2010) | Nerviano Medical Sciences srl | 2D 3D TSV |
| 20621724 | 50 | Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors. |
Bioorg Med Chem Lett 20: 4038-44 (2010) | Universit£t Heidelberg | 2D 3D TSV |
| 20621496 | 31 | The design, synthesis, and evaluation of 8 hybrid DFG-out allosteric kinase inhibitors: a structural analysis of the binding interactions of Gleevec, Nexavar, and BIRB-796. |
Bioorg Med Chem 18: 5738-48 (2010) | The University of Arizona | 2D 3D TSV |
| 20621492 | 6 | Genomic action of permanently charged tamoxifen derivatives via estrogen receptor-alpha. |
Bioorg Med Chem 18: 5593-601 (2010) | Instituto Politécnico Nacional 2508 | 2D 3D TSV |
| 20621488 | 13 | Synthesis and pharmacology of 1-methoxy analogs of CP-47,497. |
Bioorg Med Chem 18: 5475-82 (2010) | Clemson University | 2D 3D TSV |
| 20621485 | 81 | Pharmacophore identification, synthesis, and biological evaluation of carboxylated chalcone derivatives as CysLT1 antagonists. |
Bioorg Med Chem 18: 5519-27 (2010) | Zhejiang University | 2D 3D TSV |
| 20621478 | 37 | Concise synthesis and CDK/GSK inhibitory activity of the missing 9-azapaullones. |
Bioorg Med Chem Lett 20: 4940-4 (2010) | Trinity College | 2D 3D TSV |
| 20621477 | 3 | Synthesis of potent chemical inhibitors of dynamin GTPase. |
Bioorg Med Chem Lett 20: 4858-64 (2010) | Gwangju Institute of Science and Technology | 2D 3D TSV |
| 20621473 | 56 | Discovery of potent, selective, and orally bioavailable 3H-spiro[isobenzofuran-1,4'-piperidine] based melanocortin subtype-4 receptor agonists. |
Bioorg Med Chem Lett 20: 4895-900 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20620068 | 8 | Dual-target-directed 1,3-diphenylurea derivatives: BACE 1 inhibitor and metal chelator against Alzheimer's disease. |
Bioorg Med Chem 18: 5610-5 (2010) | Zhejiang University | 2D 3D TSV |
| 20620066 | 4 | Substrate specificity and inhibitory study of human airway trypsin-like protease. |
Bioorg Med Chem 18: 5504-9 (2010) | Faculty of Chemistry Gdansk University | 2D 3D TSV |
| 20620059 | 54 | Enhanced selectivity profile of pyrazole-urea based DFG-out p38alpha inhibitors. |
Bioorg Med Chem Lett 20: 4885-91 (2010) | Pfizer Inc | 2D 3D TSV |
| 20620058 | 41 | Smoothened antagonists for hair inhibition. |
Bioorg Med Chem Lett 20: 4932-5 (2010) | Pfizer Inc | 2D 3D TSV |
| 20619664 | 24 | Synthesis, binding and bioactivity of gamma-methylene gamma-lactam ecdysone receptor ligands: advantages of QSAR models for flexible receptors. |
Bioorg Med Chem 18: 5647-60 (2010) | CSIRO Molecular and Health Technologies | 2D 3D TSV |
| 20619644 | 5 | A newly synthesized, potent tyrosinase inhibitor: 5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol. |
Bioorg Med Chem Lett 20: 4882-4 (2010) | Pusan National University | 2D 3D TSV |
| 20617791 | 70 | Biological and conformational evaluation of bifunctional compounds for opioid receptor agonists and neurokinin 1 receptor antagonists possessing two penicillamines. |
J Med Chem 53: 5491-501 (2010) | University of Arizona | 2D 3D TSV |
| 20615716 | 55 | Investigations on the 2-thiazolylhydrazyne scaffold: synthesis and molecular modeling of selective human monoamine oxidase inhibitors. |
Bioorg Med Chem 18: 5715-23 (2010) | Sapienza University of Rome | 2D 3D TSV |
| 20615710 | 20 | Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase. |
Bioorg Med Chem 18: 5634-46 (2010) | University of Copenhagen | 2D 3D TSV |
| 20615702 | 28 | GPR109a agonists. Part 2: pyrazole-acids as agonists of the human orphan G-protein coupled receptor GPR109a. |
Bioorg Med Chem Lett 20: 4472-4 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20615699 | 6 | LuxR-dependent quorum sensing: computer aided discovery of new inhibitors structurally unrelated to N-acylhomoserine lactones. |
Bioorg Med Chem Lett 20: 4355-8 (2010) | INSA | 2D 3D TSV |
| 20615697 | 49 | Carbamoyloximes as novel non-competitive mGlu5 receptor antagonists. |
Bioorg Med Chem Lett 20: 4371-5 (2010) | Gedeon Richter Plc | 2D 3D TSV |
| 20615696 | 28 | Pyrido[2,3-b]pyrazines, discovery of TRPV1 antagonists with reduced potential for the formation of reactive metabolites. |
Bioorg Med Chem Lett 20: 4359-63 (2010) | Neurogen Corporation | 2D 3D TSV |
| 20615695 | 25 | Peptide deformylase inhibitors with retro-amide scaffold: synthesis and structure-activity relationships. |
Bioorg Med Chem Lett 20: 4317-9 (2010) | Seoul National University | 2D 3D TSV |
| 20615694 | 2 | Selective delivery of 2-hydroxy APA to Trypanosoma brucei using the melamine motif. |
Bioorg Med Chem Lett 20: 4364-6 (2010) | University of Dundee | 2D 3D TSV |
| 20615693 | 37 | Tricyclic imidazole antagonists of the Neuropeptide S Receptor. |
Bioorg Med Chem Lett 20: 4704-8 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20615692 | 52 | The discovery of potent inhibitors of aldosterone synthase that exhibit selectivity over 11-beta-hydroxylase. |
Bioorg Med Chem Lett 20: 4324-7 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20615583 | 1 | Probing the binding site of curcumin in Escherichia coli and Bacillus subtilis FtsZ--a structural insight to unveil antibacterial activity of curcumin. |
Eur J Med Chem 45: 4209-14 (2010) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
| 20614940 | 76 | Protein lysine methyltransferase G9a inhibitors: design, synthesis, and structure activity relationships of 2,4-diamino-7-aminoalkoxy-quinazolines. |
J Med Chem 53: 5844-57 (2010) | University of North Carolina at Chapel Hill | 2D 3D TSV |
| 20614889 | 71 | Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator. |
J Med Chem 53: 5801-12 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20610153 | 40 | Discovery of 3,9-diazabicyclo[4.2.1]nonanes as potent dual orexin receptor antagonists with sleep-promoting activity in the rat. |
Bioorg Med Chem Lett 20: 4201-5 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20610152 | 2 | Synthesis and biological evaluation of novel biotin-iminoalditol conjugates. |
Bioorg Med Chem Lett 20: 4077-9 (2010) | Technische Universit£t Graz | 2D 3D TSV |
| 20609590 | 10 | Efficient synthesis of Hsp90 inhibitor dimers as potential antitumor agents. |
Bioorg Med Chem 18: 5732-7 (2010) | Hokkaido University | 2D 3D TSV |
| 20609585 | 67 | Biaryl ethers as potent allosteric inhibitors of reverse transcriptase and its key mutant viruses: aryl substituted pyrazole as a surrogate for the pyrazolopyridine motif. |
Bioorg Med Chem Lett 20: 4328-32 (2010) | Merck Research Laboratory | 2D 3D TSV |
| 20609415 | 6 | Chemical proteomics identifies Nampt as the target of CB30865, an orphan cytotoxic compound. |
Chem Biol 17: 659-64 (2010) | Kyowa Hakko Kogyo Co., Ltd | 2D 3D TSV |
| 20608738 | 7 | ATPases as drug targets: insights from heat shock proteins 70 and 90. |
J Med Chem 53: 7280-6 (2010) | Vernalis R&D Ltd | 2D 3D TSV |
| 20606069 | 18 | Inhibition of antibiotic-resistant Staphylococcus aureus by the broad-spectrum dihydrofolate reductase inhibitor RAB1. |
Antimicrob Agents Chemother 54: 3825-33 (2010) | Oklahoma State University | 2D 3D TSV |
| 20606062 | 6 | In vitro potentiation of carbapenems with ME1071, a novel metallo-beta-lactamase inhibitor, against metallo-beta-lactamase- producing Pseudomonas aeruginosa clinical isolates. |
Antimicrob Agents Chemother 54: 3625-9 (2010) | Toho University School of Medicine | 2D 3D TSV |
| 20605720 | 5 | Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway. |
Bioorg Med Chem 18: 4801-11 (2011) | St. Jude Children's Research Hospital | 2D 3D TSV |
| 20605472 | 7 | [d4U]-spacer-[HI-236] double-drug inhibitors of HIV-1 reverse-transcriptase. |
Bioorg Med Chem 18: 4661-73 (2010) | University of Cape Town | 2D 3D TSV |
| 20605451 | 6 | C(2)-Symmetric azobenzene-amino acid conjugates and their inhibition of Subtilisin Kexin Isozyme-1. |
Bioorg Med Chem Lett 20: 3977-81 (2010) | Indian Institute of Technology | 2D 3D TSV |
| 20605448 | 3 | Design, synthesis and anticancer activity of piperazine hydroxamates and their histone deacetylase (HDAC) inhibitory activity. |
Bioorg Med Chem Lett 20: 3906-10 (2010) | Birla Institute of Technology | 2D 3D TSV |
| 20605276 | 61 | 1,3-Dioxolane-based ligands incorporating a lactam or imide moiety: structure-affinity/activity relationship at alpha1-adrenoceptor subtypes and at 5-HT1A receptors. |
Eur J Med Chem 45: 3740-51 (2010) | Universit£ degli Studi di Modena e Reggio Emilia | 2D 3D TSV |
| 20605099 | 42 | Further delineation of hydrophobic binding sites in dopamine D(2)/D(3) receptors for N-4 substituents on the piperazine ring of the hybrid template 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol. |
Bioorg Med Chem 18: 5661-74 (2010) | Wayne State University | 2D 3D TSV |
| 20605094 | 91 | Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors. |
Bioorg Med Chem Lett 20: 4376-81 (2010) | University of Florida | 2D 3D TSV |
| 20604568 | 25 | Synthesis and structure-activity relationships of N-(2-oxo-3-oxetanyl)amides as N-acylethanolamine-hydrolyzing acid amidase inhibitors. |
J Med Chem 53: 5770-81 (2010) | University of California | 2D 3D TSV |
| 20604564 | 2 | A type-II kinase inhibitor capable of inhibiting the T315I"gatekeeper" mutant of Bcr-Abl. |
J Med Chem 53: 5439-48 (2010) | Harvard Medical School | 2D 3D TSV |
| 20599386 | 46 | Evaluation of N-substitution in 6,7-benzomorphan compounds. |
Bioorg Med Chem 18: 4975-82 (2010) | University of Catania | 2D 3D TSV |
| 20598892 | 6 | Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. |
Bioorg Med Chem 18: 5056-62 (2010) | University of Dundee | 2D 3D TSV |
| 20598885 | 47 | Derivatives of tetrahydroisoquinoline: synthesis and initial evaluation of novel non-peptide antagonists of the alpha(IIb)beta(3)-integrin. |
Bioorg Med Chem Lett 20: 4444-6 (2010) | A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine | 2D 3D TSV |
| 20598884 | 48 | 3-Cyano-5-fluoro-N-arylbenzamides as negative allosteric modulators of mGlu(5): Identification of easily prepared tool compounds with CNS exposure in rats. |
Bioorg Med Chem Lett 20: 4390-4 (2010) | Vanderbilt University Medical Center | 2D 3D TSV |
| 20598883 | 83 | 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors. |
Bioorg Med Chem Lett 20: 4350-4 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20598882 | 76 | Spiroindane based amides as potent and selective MC4R agonists for the treatment of obesity. |
Bioorg Med Chem Lett 20: 4399-405 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20598880 | 48 | Discovery of novel sphingosine kinase-1 inhibitors. Part 2. |
Bioorg Med Chem Lett 20: 4550-4 (2010) | Genzyme Corporation | 2D 3D TSV |
| 20598780 | 5 | Tricyclononene carboxamide derivatives as novel anti-HIV-1 agents. |
Eur J Med Chem 45: 4096-103 (2010) | Beijing Institute of Biotechnology | 2D 3D TSV |
| 20598555 | 3 | 2-phenyl-1-[4-(2-piperidine-1-yl-ethoxy)benzyl]-1H-benzimidazoles as ligands for the estrogen receptor: synthesis and pharmacological evaluation. |
Bioorg Med Chem 18: 4905-16 (2010) | Freie Universit£t Berlin | 2D 3D TSV |
| 20598554 | 23 | Syntheses and herbicidal activity of new triazolopyrimidine-2-sulfonamides as acetohydroxyacid synthase inhibitor. |
Bioorg Med Chem 18: 4897-904 (2010) | Central China Normal University | 2D 3D TSV |
| 20598553 | 38 | Constrained peptidomimetics as antiplasmodial falcipain-2 inhibitors. |
Bioorg Med Chem 18: 4928-38 (2010) | Universit£ di Messina | 2D 3D TSV |
| 20598552 | 24 | Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations. |
Bioorg Med Chem 18: 4873-8 (2010) | University of Florida | 2D 3D TSV |
| 20598535 | 21 | beta-Secretase (BACE-1) inhibitory effect of biflavonoids. |
Bioorg Med Chem Lett 20: 4558-60 (2010) | Shujitsu University | 2D 3D TSV |
| 20598534 | 105 | Synthesis and SAR of azolopyrimidines as potent and selective dipeptidyl peptidase-4 (DPP4) inhibitors for type 2 diabetes. |
Bioorg Med Chem Lett 20: 4395-8 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20598533 | 71 | Optimization of privileged structures for selective and potent melanocortin subtype-4 receptor ligands. |
Bioorg Med Chem Lett 20: 4483-6 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20597489 | 17 | Synthesis, fluorine-18 radiolabeling, and biological evaluation of N-((E)-4-fluorobut-2-en-1-yl)-2beta-carbomethoxy-3beta-(4'-halophenyl)nortropanes: candidate radioligands for in vivo imaging of the brain dopamine transporter with positron emission tomography. |
J Med Chem 53: 5549-57 (2010) | Emory University | 2D 3D TSV |
| 20597485 | 3 | Structural basis for inhibition of Eg5 by dihydropyrimidines: stereoselectivity of antimitotic inhibitors enastron, dimethylenastron and fluorastrol. |
J Med Chem 53: 5676-83 (2010) | Institute for Cancer Research | 2D 3D TSV |
| 20597484 | 170 | Novel hinge binder improves activity and pharmacokinetic properties of BRAF inhibitors. |
J Med Chem 53: 5639-55 (2010) | The Institute of Cancer Research | 2D 3D TSV |
| 20594862 | 13 | Synthesis and CYP24A1 inhibitory activity of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides. |
Bioorg Med Chem 18: 4939-46 (2010) | Cardiff University | 2D 3D TSV |
| 20594859 | 40 | Synthesis, molecular modeling, and biological evaluation of cinnamic acid metronidazole ester derivatives as novel anticancer agents. |
Bioorg Med Chem 18: 4991-6 (2010) | Nanjing University | 2D 3D TSV |
| 20594847 | 62 | In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part I. |
Bioorg Med Chem Lett 20: 4715-8 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20594845 | 30 | Addressing PXR liabilities of phthalazine-based hedgehog/smoothened antagonists using novel pyridopyridazines. |
Bioorg Med Chem Lett 20: 4607-10 (2010) | Amgen Inc | 2D 3D TSV |
| 20594842 | 90 | Heteroaryl-linked 5-(1H-benzimidazol-1-yl)-2-thiophenecarboxamides: potent inhibitors of polo-like kinase 1 (PLK1) with improved drug-like properties. |
Bioorg Med Chem Lett 20: 4587-92 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20594841 | 123 | 2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors. |
Bioorg Med Chem Lett 20: 4447-50 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20594840 | 7 | Design, synthesis, and structure-activity relationships of pyrazole derivatives as potential FabH inhibitors. |
Bioorg Med Chem Lett 20: 4657-60 (2010) | Nanjing University | 2D 3D TSV |
| 20594839 | 4 | Synthesis and pharmacological evaluation of aryl aminosulfonamide derivatives as potent 5-HT(6) receptor antagonists. |
Bioorg Med Chem Lett 20: 4440-3 (2010) | Suven Life Sciences Ltd | 2D 3D TSV |
| 20593789 | 47 | Heteroadamantyl cannabinoids. |
J Med Chem 53: 5656-66 (2010) | University of Hawaii at Manoa | 2D 3D TSV |
| 20591679 | 1 | Development of chemical probes: toward the mode of action of a methylene-linked di(aryl acetate) E1. |
Bioorg Med Chem 18: 4917-27 (2010) | University College London | 2D 3D TSV |
| 20591669 | 81 | In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II. |
Bioorg Med Chem Lett 20: 4719-23 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20591666 | 66 | A new group of oxime carbamates as reversible inhibitors of fatty acid amide hydrolase. |
Bioorg Med Chem Lett 20: 4406-11 (2010) | Università degli Studi di Milano | 2D 3D TSV |
| 20591663 | 23 | Identification of novel alpha7 nAChR positive allosteric modulators with the use of pharmacophore in silico screening methods. |
Bioorg Med Chem Lett 20: 4561-5 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20590092 | 273 | Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule. |
J Med Chem 53: 5511-22 (2010) | Universita degli Studi di Firenze | 2D 3D TSV |
| 20590088 | 124 | Design and synthesis of novel tricyclic benzoxazines as potent 5-HT(1A/B/D) receptor antagonists leading to the discovery of 6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide (GSK588045). |
J Med Chem 53: 5827-43 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20586493 | 15 | Design and synthesis of C-2 substituted thiazolo and dihydrothiazolo ring-fused 2-pyridones: pilicides with increased antivirulence activity. |
J Med Chem 53: 5690-5 (2010) | Ume£ University | 2D 3D TSV |
| 20586421 | 12 | Peptide HIV-1 integrase inhibitors from HIV-1 gene products. |
J Med Chem 53: 5356-60 (2010) | Tokyo Medical and Dental University | 2D 3D TSV |
| 20584613 | 3 | (-)-N-Formylanonaine from Michelia alba as a human tyrosinase inhibitor and antioxidant. |
Bioorg Med Chem 18: 5241-7 (2010) | Kaohsiung Medical University | 2D 3D TSV |
| 20584610 | 90 | Design and synthesis of 4-[3,5-dioxo-11-oxa-4,9-diazatricyclo[5.3.1.0(2,6)]undec-4-yl]-2-trifluoromethyl-benzonitriles as androgen receptor antagonists. |
Bioorg Med Chem Lett 20: 4491-5 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20584609 | 13 | Rational design of a novel peripherally-restricted, orally active CB(1) cannabinoid antagonist containing a 2,3-diarylpyrrole motif. |
Bioorg Med Chem Lett 20: 4573-7 (2010) | Sanofi-Aventis R&D | 2D 3D TSV |
| 20584604 | 6 | Cyclic amide bioisosterism: strategic application to the design and synthesis of HCV NS5B polymerase inhibitors. |
Bioorg Med Chem Lett 20: 4614-9 (2010) | Roche Palo Alto | 2D 3D TSV |
| 20583856 | 6 | Nantenine as an acetylcholinesterase inhibitor: SAR, enzyme kinetics and molecular modeling investigations. |
J Enzyme Inhib Med Chem 26: 46-55 (2011) | City University of New York Hunter College | 2D 3D TSV |
| 20583855 | 33 | Synthesis and antiproliferative activities against Hep-G2 of salicylanide derivatives: potent inhibitors of the epidermal growth factor receptor (EGFR) tyrosine kinase. |
J Enzyme Inhib Med Chem 26: 37-45 (2011) | Nanjing University | 2D 3D TSV |
| 20583854 | 4 | Theoretical studies on the molecular basis of HIV-1RT/NNRTIs interactions. |
J Enzyme Inhib Med Chem 26: 29-36 (2011) | Chulalongkorn University | 2D 3D TSV |
| 20580563 | 42 | 2-acylamino-4,6-diphenylpyridine derivatives as novel GPR54 antagonists with good brain exposure and in vivo efficacy for plasma LH level in male rats. |
Bioorg Med Chem 18: 5157-71 (2010) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 20580561 | 33 | Pteridine-sulfonamide conjugates as dual inhibitors of carbonic anhydrases and dihydrofolate reductase with potential antitumor activity. |
Bioorg Med Chem 18: 5081-9 (2010) | Instituto Superior T£cnico | 2D 3D TSV |
| 20580553 | 12 | Deoxynojirimycin and its hexosaminyl derivatives bind to natural killer cell receptors rNKR-P1A and hCD69. |
Bioorg Med Chem Lett 20: 4645-8 (2010) | Universit£ di Pisa | 2D 3D TSV |
| 20580552 | 8 | NF-kappaB inducing kinase (NIK) inhibitors: identification of new scaffolds using virtual screening. |
Bioorg Med Chem Lett 20: 4515-20 (2010) | University of Namur | 2D 3D TSV |
| 20580236 | 60 | Morphinans and isoquinolines: acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors. |
Bioorg Med Chem 18: 5071-80 (2010) | University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI | 2D 3D TSV |
| 20580234 | 43 | Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists. |
Bioorg Med Chem Lett 20: 4521-5 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20580233 | 82 | T-type calcium channel blockers: spiro-piperidine azetidines and azetidinones-optimization, design and synthesis. |
Bioorg Med Chem Lett 20: 4602-6 (2010) | Merck Research Laboratory | 2D 3D TSV |
| 20580231 | 21 | 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important. |
Bioorg Med Chem Lett 20: 4507-10 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20580138 | 17 | Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies. |
Eur J Med Chem 45: 4004-12 (2010) | Gyeongsang National University | 2D 3D TSV |
| 20579890 | 111 | Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors. |
Bioorg Med Chem 18: 5063-70 (2010) | Sapienza University of Rome | 2D 3D TSV |
| 20579878 | 26 | Structure-activity relationships and in vivo activity of (1H-pyrazol-4-yl)acetamide antagonists of the P2X(7) receptor. |
Bioorg Med Chem Lett 20: 4653-6 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20579874 | 150 | BACE-1 hydroxyethylamine inhibitors using novel edge-to-face interaction with Arg-296. |
Bioorg Med Chem Lett 20: 4639-44 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20578976 | 7 | Unusual activity pattern of leucine aminopeptidase inhibitors based on phosphorus containing derivatives of methionine and norleucine. |
J Enzyme Inhib Med Chem 26: 155-61 (2011) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 20578711 | 19 | Solution phase synthesis of a combinatorial library of chalcones and flavones as potent cathepsin V inhibitors. |
J Comb Chem 12: 687-95 (2010) | Universidade Federal de São Carlo | 2D 3D TSV |
| 20578699 | 15 | Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement. |
J Med Chem 53: 5229-39 (2010) | University of Texas Southwestern Medical Center | 2D 3D TSV |
| 20576578 | 36 | ortho-Substituted C-aryl glucosides as highly potent and selective renal sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors. |
Bioorg Med Chem 18: 4422-32 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20576577 | 8 | Alpneumines A-H, new anti-melanogenic indole alkaloids from Alstonia pneumatophora. |
Bioorg Med Chem 18: 4415-21 (2010) | Hoshi University | 2D 3D TSV |
| 20576575 | 23 | Design, synthesis, and docking of highly hypolipidemic agents: Schizosaccharomyces pombe as a new model for evaluating alpha-asarone-based HMG-CoA reductase inhibitors. |
Bioorg Med Chem 18: 4238-48 (2010) | Instituto Polit£cnico Nacional (IPN) | 2D 3D TSV |
| 20576573 | 16 | Pharmacophore and structure-activity relationships of integrase inhibition within a dual inhibitor scaffold of HIV reverse transcriptase and integrase. |
Bioorg Med Chem 18: 4202-11 (2010) | University of Minnesota | 2D 3D TSV |
| 20576572 | 15 | New aryldithiolethione derivatives as potent histone deacetylase inhibitors. |
Bioorg Med Chem 18: 4187-94 (2010) | Sulfidris s.r.l. | 2D 3D TSV |
| 20576432 | 16 | Celecoxib prodrugs possessing a diazen-1-ium-1,2-diolate nitric oxide donor moiety: synthesis, biological evaluation and nitric oxide release studies. |
Bioorg Med Chem Lett 20: 4544-9 (2010) | University of Alberta | 2D 3D TSV |
| 20576431 | 1 | Identification of glycosylated exendin-4 analogue with prolonged blood glucose-lowering activity through glycosylation scanning substitution. |
Bioorg Med Chem Lett 20: 4631-4 (2010) | Shionogi and Co., Ltd | 2D 3D TSV |
| 20576329 | 14 | 3-Formylchromones: potential antiinflammatory agents. |
Eur J Med Chem 45: 4058-64 (2010) | University of Karachi | 2D 3D TSV |
| 20575555 | 45 | Synthesis, inhibitory activity of cholinesterases, and neuroprotective profile of novel 1,8-naphthyridine derivatives. |
J Med Chem 53: 5129-43 (2010) | Universidad Autonoma de Madrid | 2D 3D TSV |
| 20575553 | 7 | The pthaladyns: GTP competitive inhibitors of dynamin I and II GTPase derived from virtual screening. |
J Med Chem 53: 5267-80 (2010) | The University of Newcastle | 2D 3D TSV |
| 20575550 | 54 | Analysis of the binding of mixed lineage leukemia 1 (MLL1) and histone 3 peptides to WD repeat domain 5 (WDR5) for the design of inhibitors of the MLL1-WDR5 interaction. |
J Med Chem 53: 5179-85 (2010) | University of Michigan | 2D 3D TSV |
| 20573509 | 23 | 3-Cyano-6-(5-methyl-3-pyrazoloamino)pyridines: selective Aurora A kinase inhibitors. |
Bioorg Med Chem Lett 20: 4709-11 (2010) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 20573508 | 31 | Aryl sulfonamides containing tetralin allylic amines as potent and selective bradykinin B1 receptor antagonists. |
Bioorg Med Chem Lett 20: 4593-7 (2010) | Amgen Inc | 2D 3D TSV |
| 20573506 | 39 | A specific and direct comparison of the trifluoromethyl and pentafluoro sulfanyl groups on the selective dopamine D(3) antagonist 3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-phenyl-3-azabicyclo[3.1.0]hexane template. |
Bioorg Med Chem Lett 20: 4566-8 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20570529 | 65 | Synthesis and structure-affinity relationships of novel small molecule natural product derivatives capable of discriminating between serotonin 5-HT1A, 5-HT2A, 5-HT2C receptor subtypes. |
Bioorg Med Chem 18: 4783-92 (2011) | University of North Texas Health Science Center | 2D 3D TSV |
| 20570528 | 34 | Synthesis and biological evaluation of 5-substituted and 4,5-disubstituted-2-arylamino oxazole TRPV1 antagonists. |
Bioorg Med Chem 18: 4821-9 (2011) | Abbott Laboratories | 2D 3D TSV |
| 20570527 | 7 | Synthesis and anti-HIV activity of 2-naphthyl substituted DAPY analogues as non-nucleoside reverse transcriptase inhibitors. |
Bioorg Med Chem 18: 4601-5 (2010) | Fudan University | 2D 3D TSV |
| 20570526 | 84 | Synthesis and structure-activity relationship of 6-arylureido-3-pyrrol-2-ylmethylideneindolin-2-one derivatives as potent receptor tyrosine kinase inhibitors. |
Bioorg Med Chem 18: 4674-86 (2011) | National Taiwan University | 2D 3D TSV |
| 20570525 | 56 | Discovery of novel purine derivatives with potent and selective inhibitory activity against c-Src tyrosine kinase. |
Bioorg Med Chem 18: 4615-24 (2011) | Chinese Academy of Sciences | 2D 3D TSV |
| 20570524 | 8 | Crystallographic and docking studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis. |
Bioorg Med Chem 18: 4769-74 (2011) | Pontifical Catholic University of Rio Grande do Sul | 2D 3D TSV |
| 20570515 | 4 | Chemoselective regulation of TREK2 channel: activation by sulfonate chalcones and inhibition by sulfonamide chalcones. |
Bioorg Med Chem Lett 20: 4237-9 (2010) | Gyeongsang National University | 2D 3D TSV |
| 20570511 | 22 | Discovery of aminopyridines substituted with benzoxazole as orally active c-Met kinase inhibitors. |
Bioorg Med Chem Lett 20: 4223-7 (2010) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 20570509 | 17 | Interaction of aminoadamantane derivatives with the influenza A virus M2 channel-docking using a pore blocking model. |
Bioorg Med Chem Lett 20: 4182-7 (2010) | University of Athens | 2D 3D TSV |
| 20570157 | 25 | Optimization of isochromanone based urotensin II receptor agonists. |
Bioorg Med Chem 18: 4844-54 (2011) | University of Gothenburg | 2D 3D TSV |
| 20570156 | 7 | Synthesis and inhibitory activities of novel C-3 substituted azafagomines: a new type of selective inhibitors ofa-L-fucosidases. |
Bioorg Med Chem 18: 4648-60 (2011) | University of Seville | 2D 3D TSV |
| 20570149 | 4 | Click chemistry to probe Hsp90: Synthesis and evaluation of a series of triazole-containing novobiocin analogues. |
Bioorg Med Chem Lett 20: 3957-60 (2010) | The University of Kansas | 2D 3D TSV |
| 20570148 | 1 | The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase. |
Bioorg Med Chem Lett 20: 3936-40 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20570147 | 25 | Reducing ion channel activity in a series of 4-heterocyclic arylamide FMS inhibitors. |
Bioorg Med Chem Lett 20: 3925-9 (2010) | Johnson & Johnson Pharmaceutical Research & Development | 2D 3D TSV |
| 20570146 | 15 | 2-Substituted N-aryl piperazines as novel triple reuptake inhibitors for the treatment of depression. |
Bioorg Med Chem Lett 20: 3941-5 (2010) | Roche Palo Alto LLC | 2D 3D TSV |
| 20570023 | 16 | Chemistry around imidazopyrazine and ibuprofen: discovery of novel fatty acid amide hydrolase (FAAH) inhibitors. |
Eur J Med Chem 45: 3564-74 (2010) | Universit£ Catholique de Louvain | 2D 3D TSV |
| 20569083 | 9 | 5-Nitro-2,6-dioxohexahydro-4-pyrimidinecarboxamides: synthesis, in vitro antimycobacterial activity, cytotoxicity, and isocitrate lyase inhibition studies. |
J Enzyme Inhib Med Chem 25: 765-72 (2010) | Birla Institute of Technology | 2D 3D TSV |
| 20568782 | 16 | Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation. |
J Med Chem 53: 5347-51 (2010) | University of Bologna | 2D 3D TSV |
| 20568781 | 32 | Analogues of (3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide (JDTic). Synthesis and in vitro and in vivo opioid receptor antagonist activity. |
J Med Chem 53: 5290-301 (2010) | Research Triangle Institute | 2D 3D TSV |
| 20568780 | 2 | (Bis)urea and (bis)thiourea inhibitors of lysine-specific demethylase 1 as epigenetic modulators. |
J Med Chem 53: 5197-212 (2010) | Wayne State University | 2D 3D TSV |
| 20568778 | 15 | Spirotetrahydro beta-carbolines (spiroindolones): a new class of potent and orally efficacious compounds for the treatment of malaria. |
J Med Chem 53: 5155-64 (2010) | Novartis Institute for Tropical Diseases | 2D 3D TSV |
| 20568732 | 14 | Structurally designed trans-2-phenylcyclopropylamine derivatives potently inhibit histone demethylase LSD1/KDM1 . |
Biochemistry 49: 6494-503 (2010) | RIKEN Systems and Structural Biology Center | 2D 3D TSV |
| 20566771 | 1 | Mycobacterium tuberculosis dihydrofolate reductase is not a target relevant to the antitubercular activity of isoniazid. |
Antimicrob Agents Chemother 54: 3776-82 (2010) | Texas A&M University | 2D 3D TSV |
| 20566292 | 6 | 5-Lipoxygenase-activating protein inhibitors. Part 3: 3-{3-tert-Butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM643)-A potent FLAP inhibitor suitable for topical administration. |
Bioorg Med Chem Lett 20: 4598-601 (2010) | Amira Pharmaceuticals | 2D 3D TSV |
| 20566291 | 55 | Pyrazolopyridazine alpha-2-delta-1 ligands for the treatment of neuropathic pain. |
Bioorg Med Chem Lett 20: 4683-8 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20565336 | 24 | Design, synthesis and biological evaluation of CB1 cannabinoid receptor ligands derived from the 1,5-diarylpyrazole scaffold. |
J Enzyme Inhib Med Chem 26: 222-30 (2011) | NanChang University School of Pharmaceutical Science | 2D 3D TSV |
| 20565112 | 55 | Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate. |
J Med Chem 53: 5213-28 (2010) | The Institute of Cancer Research | 2D 3D TSV |
| 20565110 | 7 | Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor. |
J Med Chem 53: 5352-5 (2010) | Karolinska Institutet | 2D 3D TSV |
| 20565075 | 43 | Discovery of the dual orexin receptor antagonist [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (MK-4305) for the treatment of insomnia. |
J Med Chem 53: 5320-32 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20561792 | 4 | Development of tryptase inhibitors derived from thalidomide. |
Bioorg Med Chem 18: 5323-38 (2010) | The University of Tokyo | 2D 3D TSV |
| 20561789 | 6 | Allosteric and ATP-competitive kinase inhibitors of mTOR for cancer treatment. |
Bioorg Med Chem Lett 20: 4308-12 (2010) | Sanofi-Aventis | 2D 3D TSV |
| 20561788 | 33 | Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 1: Tuning the N-substituents. |
Bioorg Med Chem Lett 20: 4012-4 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20561787 | 46 | Design and evaluation of 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines as inhibitors of checkpoint and other kinases. |
Bioorg Med Chem Lett 20: 4045-9 (2010) | The Institute of Cancer Research | 2D 3D TSV |
| 20561786 | 77 | Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: identification of candidates for clinical development. |
Bioorg Med Chem Lett 20: 4210-4 (2010) | Johnson & Johnson Pharmaceutical Research & Development LLC | 2D 3D TSV |
| 20560643 | 71 | Improving metabolic stability by glycosylation: bifunctional peptide derivatives that are opioid receptor agonists and neurokinin 1 receptor antagonists. |
J Med Chem 52: 5164-75 (2010) | University of Arizona | 2D 3D TSV |
| 20560595 | 21 | (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor. |
J Med Chem 53: 5186-96 (2010) | Chemical Diversity Research Institute | 2D 3D TSV |
| 20558073 | 28 | Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer. |
Bioorg Med Chem 18: 5352-66 (2010) | Purdue University | 2D 3D TSV |
| 20558072 | 45 | Design, synthesis and evaluation of 2-amino-4-m-bromoanilino-6-arylmethyl-7H-pyrrolo[2,3-d]pyrimidines as tyrosine kinase inhibitors and antiangiogenic agents. |
Bioorg Med Chem 18: 5261-73 (2010) | Duquesne University | 2D 3D TSV |
| 20558059 | 19 | Structure-activity relationships and hepatic safety risks of thiazole agonists of the thrombopoietin receptor. |
Bioorg Med Chem Lett 20: 4069-72 (2010) | Pfizer Inc | 2D 3D TSV |
| 20557982 | 7 | Synthesis and evaluation of quinazolinone derivatives as inhibitors of NF-kappaB, AP-1 mediated transcription and eIF-4E mediated translational activation: inhibitors of multi-pathways involve in cancer. |
Eur J Med Chem 45: 3558-63 (2010) | B.V. Patel Pharmaceutical Education and Research Development Centre | 2D 3D TSV |
| 20557099 | 8 | Thiadiazole carbamates: potent inhibitors of lysosomal acid lipase and potential Niemann-Pick type C disease therapeutics. |
J Med Chem 53: 5281-9 (2010) | Weill Cornell Medical College | 2D 3D TSV |
| 20557054 | 56 | Click chemistry approach to new N-substituted aminocyclitols as potential pharmacological chaperones for Gaucher disease. |
J Med Chem 53: 5248-55 (2010) | Universitat de Barcelona | 2D 3D TSV |
| 20554448 | 1 | Synthesis and biodistribution of [11C]A-836339, a new potential radioligand for PET imaging of cannabinoid type 2 receptors (CB2). |
Bioorg Med Chem 18: 5202-7 (2010) | Johns Hopkins Medical Institutions | 2D 3D TSV |
| 20554206 | 10 | A novel and one-pot synthesis of new 1-tosyl pyrrol-2-one derivatives and analysis of carbonic anhydrase inhibitory potencies. |
Bioorg Med Chem 18: 4468-74 (2010) | Atat£rk University | 2D 3D TSV |
| 20554082 | 76 | Carbonic anhydrase inhibitors. Regioselective synthesis of novel 1-substituted 1,4-dihydro-4-oxo-3-pyridinesulfonamides and their inhibition of the human cytosolic isozymes I and II and transmembrane cancer-associated isozymes IX and XII. |
Eur J Med Chem 45: 3656-61 (2010) | Medical University of Gdansk | 2D 3D TSV |
| 20553118 | 78 | Synthesis of 5-amino-1,3,4-thiadiazole-2-sulphonamide derivatives and their inhibition effects on human carbonic anhydrase isozymes. |
J Enzyme Inhib Med Chem 26: 231-7 (2011) | Dumlupinar University | 2D 3D TSV |
| 20553023 | 46 | Discovery of potent ligands for estrogen receptor beta by structure-based virtual screening. |
J Med Chem 53: 5361-5 (2010) | East China University of Science and Technology | 2D 3D TSV |
| 20550212 | 25 | Fast-forwarding hit to lead: aurora and epidermal growth factor receptor kinase inhibitor lead identification. |
J Med Chem 53: 4980-8 (2010) | National Health Research Institutes | 2D 3D TSV |
| 20550146 | 32 | Correlating solution binding and ESI-MS stabilities by incorporating solvation effects in a confined cucurbit[8]uril system. |
J Phys Chem B 114: 8606-15 (2010) | University of Cambridge | 2D 3D TSV |
| 20550119 | 96 | Oral oxytocin antagonists. |
J Med Chem 53: 6525-38 (2010) | DrugMolDesign | 2D 3D TSV |
| 20550118 | 69 | Isopropylidene substitution increases activity and selectivity of biphenylmethylene 4-pyridine type CYP17 inhibitors. |
J Med Chem 53: 5049-53 (2010) | Saarland University | 2D 3D TSV |
| 20547817 | 1 | Stereoselective phosphorylation of cyclopropavir by pUL97 and competitive inhibition by maribavir. |
Antimicrob Agents Chemother 54: 3093-8 (2010) | University of Michigan | 2D 3D TSV |
| 20547808 | 8 | Extended-spectrum cephalosporinase in Acinetobacter baumannii. |
Antimicrob Agents Chemother 54: 3484-8 (2010) | Paris-Sud University | 2D 3D TSV |
| 20547794 | 1 | Structure-activity analysis of vinylogous urea inhibitors of human immunodeficiency virus-encoded ribonuclease H. |
Antimicrob Agents Chemother 54: 3913-21 (2010) | National Cancer Institute-Frederick | 2D 3D TSV |
| 20547453 | 122 | Design and synthesis of trivalent ligands targeting opioid, cholecystokinin, and melanocortin receptors for the treatment of pain. |
Bioorg Med Chem Lett 20: 4080-4 (2010) | University of Arizona | 2D 3D TSV |
| 20547452 | 8 | Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors. |
Bioorg Med Chem Lett 20: 4065-8 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20547432 | 52 | QSAR studies of bioactivities of 1-(azacyclyl)-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines as 5-HT6 receptor ligands using physicochemical descriptors and MLR and ANN-modeling. |
Eur J Med Chem 45: 3911-5 (2010) | Islamic Azad University | 2D 3D TSV |
| 20545486 | 1 | Synthesis, stability, biochemical and pharmacokinetic properties of a new potent and selective 4-oxo-ß-lactam inhibitor of human leukocyte elastase. |
J Enzyme Inhib Med Chem 26: 169-75 (2011) | University of Lisbon | 2D 3D TSV |
| 20545360 | 38 | Novel tacrine-8-hydroxyquinoline hybrids as multifunctional agents for the treatment of Alzheimer's disease, with neuroprotective, cholinergic, antioxidant, and copper-complexing properties. |
J Med Chem 53: 4927-37 (2010) | Instituto de Quimica Medica | 2D 3D TSV |
| 20545322 | 6 | Site-specific orthogonal labeling of the carboxy terminus of alpha-tubulin. |
ACS Chem Biol 5: 777-85 (2010) | Binghamton University | 2D 3D TSV |
| 20542703 | 9 | Discovery of potent and orally active tricyclic-based FBPase inhibitors. |
Bioorg Med Chem 18: 5346-51 (2010) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 20542694 | 20 | Benzofuran-substituted urea derivatives as novel P2Y(1) receptor antagonists. |
Bioorg Med Chem Lett 20: 4104-7 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20542439 | 115 | Synthesis and characterization of selective dopamine D2 receptor antagonists. 2. Azaindole, benzofuran, and benzothiophene analogs of L-741,626. |
Bioorg Med Chem 18: 5291-300 (2010) | Washington University | 2D 3D TSV |
| 20542438 | 41 | Discovery of orally available spirodiketopiperazine-based CCR5 antagonists. |
Bioorg Med Chem 18: 5208-23 (2010) | Minase Research Institute | 2D 3D TSV |
| 20542427 | 1 | Synthesis and biological activity of glycosyl-1H-1,2,3-triazoles. |
Bioorg Med Chem Lett 20: 4263-5 (2010) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 20541944 | 15 | New 2-arylnaphthalenediols and triol inhibitors of HIV-1 integrase--discovery of a new polyhydroxylated antiviral agent. |
Bioorg Med Chem 18: 5194-201 (2010) | Universit£ des Sciences et Technologies de Lille | 2D 3D TSV |
| 20541935 | 131 | 4-Substituted-7-N-alkyl-N-acetyl 2-aminobenzothiazole amides: drug-like and non-xanthine based A2B adenosine receptor antagonists. |
Bioorg Med Chem Lett 20: 4140-6 (2010) | Roche Research Center | 2D 3D TSV |
| 20541849 | 21 | Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study. |
Eur J Med Chem 45: 3858-63 (2010) | University of Lisbon | 2D 3D TSV |
| 20541426 | 46 | Synthesis and structure-activity relationships of N-aryl-piperidine derivatives as potent (partial) agonists for human histamine H3 receptor. |
Bioorg Med Chem 18: 5441-8 (2010) | Meiji Seika Kaisha, Ltd | 2D 3D TSV |
| 20541425 | 191 | Synthesis and biological study of 3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines as potent and selective serotonin 5-HT6 receptor antagonists. |
Bioorg Med Chem 18: 5282-90 (2010) | Chemical Diversity Research Institute | 2D 3D TSV |
| 20541424 | 12 | Improved P2 phenylglycine-based hepatitis C virus NS3 protease inhibitors with alkenylic prime-side substituents. |
Bioorg Med Chem 18: 5413-24 (2010) | Uppsala University | 2D 3D TSV |
| 20541404 | 12 | Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors. |
Bioorg Med Chem Lett 20: 4060-4 (2010) | Johnson & Johnson Pharmaceutical Research & Development | 2D 3D TSV |
| 20540535 | 48 | Triterpene saponins from Clematis chinensis and their potential anti-inflammatory activity. |
J Nat Prod 73: 1234-9 (2010) | Peking University Health Science Center | 2D 3D TSV |
| 20540517 | 16 | Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors. |
J Med Chem 53: 4891-905 (2010) | University of California San Francisco | 2D 3D TSV |
| 20538469 | 133 | 1H-1,2,3-triazol-1-yl thiodigalactoside derivatives as high affinity galectin-3 inhibitors. |
Bioorg Med Chem 18: 5367-78 (2010) | The Hashemite University | 2D 3D TSV |
| 20538467 | 21 | Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening. |
Bioorg Med Chem 18: 5449-56 (2010) | Purdue University | 2D 3D TSV |
| 20538457 | 14 | Synthesis and molecular docking studies of novel 2-chloro-pyridine derivatives containing flavone moieties as potential antitumor agents. |
Bioorg Med Chem Lett 20: 4163-7 (2010) | Nanjing University | 2D 3D TSV |
| 20538456 | 55 | Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses. |
Bioorg Med Chem Lett 20: 4215-8 (2010) | Roche Palo Alto LLC | 2D 3D TSV |
| 20537765 | 34 | Synthesis, antiproliferative activity and inhibition of tubulin polymerization by 1,5- and 1,8-disubstituted 10H-anthracen-9-ones bearing a 10-benzylidene or 10-(2-oxo-2-phenylethylidene) moiety. |
Eur J Med Chem 45: 3420-38 (2010) | Westphalian Wilhelms-University | 2D 3D TSV |
| 20537545 | 5 | Bacterial transferase MraY inhibitors: synthesis and biological evaluation. |
Bioorg Med Chem 18: 4560-9 (2010) | University of Paris | 2D 3D TSV |
| 20537544 | 30 | Discovery of tetrahydro-beta-carbolines as inhibitors of the mitotic kinesin KSP. |
Bioorg Med Chem 18: 4167-77 (2010) | China Pharmaceutical University | 2D 3D TSV |
| 20537533 | 35 | Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors. |
Bioorg Med Chem Lett 20: 3965-8 (2010) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 20537438 | 101 | Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods. |
Eur J Med Chem 45: 3459-71 (2010) | East China University of Science and Technology | 2D 3D TSV |
| 20536182 | 36 | Discovery and optimization of boronic acid based inhibitors of autotaxin. |
J Med Chem 53: 4958-67 (2010) | Institute | 2D 3D TSV |
| 20533380 | 4 | The action of herbicides on fatty acid biosynthesis and elongation in barley and cucumber. |
Pest Manag Sci 66: 794-800 (2010) | Cardiff University | 2D 3D TSV |
| 20529687 | 3 | Synthesis and in vivo evaluation of [11C]MPTQ: a potential PET tracer for alpha2A-adrenergic receptors. |
Bioorg Med Chem Lett 20: 3654-7 (2010) | Columbia University | 2D 3D TSV |
| 20529685 | 70 | MMP-13 selective isonipecotamide alpha-sulfone hydroxamates. |
Bioorg Med Chem Lett 20: 3561-4 (2010) | Pfizer Inc | 2D 3D TSV |
| 20529684 | 112 | Orally bioavailable dual MMP-1/MMP-14 sparing, MMP-13 selective alpha-sulfone hydroxamates. |
Bioorg Med Chem Lett 20: 3557-60 (2010) | Pfizer Inc | 2D 3D TSV |
| 20529683 | 45 | Discovery of a novel sulfonamide-pyrazolopiperidine series as potent and efficacious gamma-secretase inhibitors (Part II). |
Bioorg Med Chem Lett 20: 3502-6 (2010) | Elan Pharmaceuticals | 2D 3D TSV |
| 20529682 | 10 | Antitrypanosomal alkaloids from Polyalthia suaveolens (Annonaceae): their effects on three selected glycolytic enzymes of Trypanosoma brucei. |
Bioorg Med Chem Lett 20: 3495-8 (2010) | University of Yaound£ I | 2D 3D TSV |
| 20527970 | 29 | 6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake inhibitor. |
J Med Chem 53: 4989-5001 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20527969 | 27 | Design, synthesis, and structure-activity relationship studies of novel 2,4,6-trisubstituted-5-pyrimidinecarboxylic acids as peroxisome proliferator-activated receptor gamma (PPARgamma) partial agonists with comparable antidiabetic efficacy to rosiglitazone. |
J Med Chem 53: 5012-24 (2010) | Kyorin Pharmaceutical Co., Ltd | 2D 3D TSV |
| 20527952 | 14 | Computer-aided identification of Trypanosoma brucei uridine diphosphate galactose 4'-epimerase inhibitors: toward the development of novel therapies for African sleeping sickness. |
J Med Chem 53: 5025-32 (2010) | University of California San Diego | 2D 3D TSV |
| 20527893 | 120 | Selective hexapeptide agonists and antagonists for human complement C3a receptor. |
J Med Chem 53: 4938-48 (2010) | The University of Queensland | 2D 3D TSV |
| 20527892 | 7 | Novel approaches for targeting thymidylate synthase to overcome the resistance and toxicity of anticancer drugs. |
J Med Chem 53: 6539-49 (2010) | Institute of Theoretical Studies gGmbH | 2D 3D TSV |
| 20527891 | 7 | Selective synthesis and biological evaluation of sulfate-conjugated resveratrol metabolites. |
J Med Chem 53: 5033-43 (2010) | Purdue University | 2D 3D TSV |
| 20527888 | 43 | Mercaptophosphonate compounds as broad-spectrum inhibitors of the metallo-beta-lactamases. |
J Med Chem 53: 4862-76 (2010) | University of Li£ge | 2D 3D TSV |
| 20521884 | 8 | Glutathione transferase from Plasmodium falciparum--interaction with malagashanine and selected plant natural products. |
J Enzyme Inhib Med Chem 25: 854-62 (2010) | University of Zimbabwe | 2D 3D TSV |
| 20521839 | 28 | Kinesin spindle protein (KSP) inhibitors with 2,3-fused indole scaffolds. |
J Med Chem 53: 5054-8 (2010) | Kyoto University | 2D 3D TSV |
| 20518620 | 16 | Synthesis of new 8(S)-HETE analogs and their biological evaluation as activators of the PPAR nuclear receptors. |
J Enzyme Inhib Med Chem 25: 653-72 (2010) | Université de Rennes 1 | 2D 3D TSV |
| 20518551 | 10 | One-pot synthesis of 4,6-diaryl-2-oxo(imino)-1,2-dihydropyridine-3-carbonitrile; a New Scaffold for p38alpha MAP kinase inhibition. |
J Comb Chem 12: 559-65 (2010) | German University in Cairo | 2D 3D TSV |
| 20516287 | 4 | In vitro antituberculosis activities of ACH-702, a novel isothiazoloquinolone, against quinolone-susceptible and quinolone-resistant isolates. |
Antimicrob Agents Chemother 54: 3478-80 (2010) | Achillion Pharmaceuticals Inc | 2D 3D TSV |
| 20516278 | 10 | PSI-7851, a pronucleotide of beta-D-2'-deoxy-2'-fluoro-2'-C-methyluridine monophosphate, is a potent and pan-genotype inhibitor of hepatitis C virus replication. |
Antimicrob Agents Chemother 54: 3187-96 (2010) | Pharmasset Inc | 2D 3D TSV |
| 20516071 | 18 | Identification and characterization of novel classes of macrophage migration inhibitory factor (MIF) inhibitors with distinct mechanisms of action. |
J Biol Chem 285: 26581-98 (2010) | Ecole Polytechnique Fédérale de Lausanne | 2D 3D TSV |
| 20513156 | 44 | Discovery of 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide (AP24534), a potent, orally active pan-inhibitor of breakpoint cluster region-abelson (BCR-ABL) kinase including the T315I gatekeeper mutant. |
J Med Chem 53: 4701-19 (2010) | ARIAD Pharmaceuticals Inc | 2D 3D TSV |
| 20510622 | 142 | Aromatic beta-amino-ketone derivatives as novel selective non-steroidal progesterone receptor antagonists. |
Bioorg Med Chem 18: 4255-68 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20510621 | 44 | A statistical analysis of in vitro human microsomal metabolic stability of small phenyl group substituents, leading to improved design sets for parallel SAR exploration of a chemical series. |
Bioorg Med Chem 18: 4405-14 (2010) | AstraZeneca PLC | 2D 3D TSV |
| 20510609 | 14 | Synthesis and evaluation of a new series of Neuropeptide S receptor antagonists. |
Bioorg Med Chem Lett 20: 4700-3 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20509659 | 182 | Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking cessation. |
J Med Chem 53: 4731-48 (2010) | Barrow Neurological Institute | 2D 3D TSV |
| 20504026 | 35 | Molecular switch controlling the binding of anionic bile acid conjugates to human apical sodium-dependent bile acid transporter. |
J Med Chem 53: 4749-60 (2010) | University of Maryland | 2D 3D TSV |
| 20503989 | 29 | Design, synthesis, and biological evaluation of a novel class of gamma-secretase modulators with PPARgamma activity. |
J Med Chem 53: 4691-700 (2010) | ZAFES/LiFF/Goethe University Frankfurt | 2D 3D TSV |
| 20503979 | 9 | Xestosaprols from the Indonesian marine sponge Xestospongia sp. |
J Nat Prod 73: 1188-91 (2010) | University of Hawaii at Manoa | 2D 3D TSV |
| 20503967 | 138 | Factor Xa inhibitors: next-generation antithrombotic agents. |
J Med Chem 53: 6243-74 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20498372 | 14 | Identification of a chemoreceptor for tricarboxylic acid cycle intermediates: differential chemotactic response towards receptor ligands. |
J Biol Chem 285: 23126-36 (2010) | CSIC | 2D 3D TSV |
| 20494587 | 24 | Identification of novel quinazolin-4(3H)-ones as inhibitors of thermolysin, the prototype of the M4 family of proteinases. |
Bioorg Med Chem 18: 4317-27 (2010) | University of Troms£ | 2D 3D TSV |
| 20494585 | 27 | Peptide fragmentation as an approach in modeling of an active peptide and designing a competitive inhibitory peptide for HMG-CoA reductase. |
Bioorg Med Chem 18: 4300-9 (2010) | Institute of the Chemistry of Plant Substances | 2D 3D TSV |
| 20494575 | 12 | Quinlobelane: a water-soluble lobelane analogue and inhibitor of VMAT2. |
Bioorg Med Chem Lett 20: 3584-7 (2010) | University of Kentucky | 2D 3D TSV |
| 20493718 | 16 | Synthesis and characterization of N,N-dialkyl and N-alkyl-N-aralkyl fenpropimorph-derived compounds as high affinity ligands for sigma receptors. |
Bioorg Med Chem 18: 4397-404 (2010) | University of Wisconsin School of Medicine and Public Health | 2D 3D TSV |
| 20493713 | 30 | Selective angiotensin II AT(2) receptor agonists with reduced CYP 450 inhibition. |
Bioorg Med Chem 18: 4570-90 (2010) | Uppsala University | 2D 3D TSV |
| 20493697 | 37 | Non-basic ligands for aminergic GPCRs: the discovery and development diaryl sulfones as selective, orally bioavailable 5-HT2A receptor antagonists for the treatment of sleep disorders. |
Bioorg Med Chem Lett 20: 3708-12 (2010) | Merck Sharp & Dohme | 2D 3D TSV |
| 20493695 | 36 | Design of 1-piperazinyl-4-arylphthalazines as potent Smoothened antagonists. |
Bioorg Med Chem Lett 20: 3618-22 (2010) | Amgen Inc | 2D 3D TSV |
| 20493693 | 5 | Prenylcoumarin with Rev-export inhibitory activity from Cnidii Monnieris Fructus. |
Bioorg Med Chem Lett 20: 3717-20 (2010) | Osaka University | 2D 3D TSV |
| 20493692 | 7 | In silico characterization of cytisinoids docked into an acetylcholine binding protein. |
Bioorg Med Chem Lett 20: 3683-7 (2010) | Instituto de Investigaciones Biol£gicas Clemente Estable | 2D 3D TSV |
| 20493691 | 19 | Discovery of a series of indan carboxylic acid glycogen phosphorylase inhibitors. |
Bioorg Med Chem Lett 20: 3511-4 (2010) | AstraZeneca | 2D 3D TSV |
| 20493688 | 6 | Synthesis and biological activity of oxadiazole and triazolothiadiazole derivatives as tyrosinase inhibitors. |
Bioorg Med Chem Lett 20: 3755-9 (2010) | University Putra Malaysia | 2D 3D TSV |
| 20493686 | 10 | New estrogenic compounds isolated from Broussonetia kazinoki. |
Bioorg Med Chem Lett 20: 3764-7 (2010) | Sookmyung Women's University | 2D 3D TSV |
| 20493592 | 25 | Validated QSAR analysis of some diaryl substituted pyrazoles as CCR2 inhibitors by various linear and nonlinear multivariate chemometrics methods. |
Eur J Med Chem 45: 3394-406 (2010) | Tehran University of Medical Sciences | 2D 3D TSV |
| 20491506 | 8 | Triazole-linked inhibitors of inosine monophosphate dehydrogenase from human and Mycobacterium tuberculosis. |
J Med Chem 53: 4768-78 (2010) | University of Minnesota | 2D 3D TSV |
| 20491477 | 91 | Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia. |
J Med Chem 53: 4603-14 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20491440 | 12 | Synthesis and biological characterization of the histone deacetylase inhibitor largazole and C7- modified analogues. |
J Med Chem 53: 4654-67 (2010) | Universidade de Vigo | 2D 3D TSV |
| 20488718 | 1 | Synthesis and cytotoxicity of novel indirubin-5-carboxamides. |
Bioorg Med Chem 18: 4509-15 (2010) | University of Kaiserslautern | 2D 3D TSV |
| 20488717 | 4 | IKKbeta inhibitors identification part II: ligand and structure-based virtual screening. |
Bioorg Med Chem 18: 3951-60 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 20488704 | 28 | Synthesis and biological evaluation of bicyclo[3.3.0] octane derivatives as dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes. |
Bioorg Med Chem Lett 20: 3521-5 (2010) | Shanghai Hengrui Pharmaceuticals Co., Ltd | 2D 3D TSV |
| 20488702 | 21 | Synthesis and biological evaluation of azobicyclo[3.3.0] octane derivatives as dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes. |
Bioorg Med Chem Lett 20: 3565-8 (2010) | Shanghai Hengrui Pharmaceuticals Co., Ltd | 2D 3D TSV |
| 20488589 | 48 | CoMFA and CoMSIA 3D-QSAR studies on quionolone caroxylic acid derivatives inhibitors of HIV-1 integrase. |
Eur J Med Chem 45: 3413-9 (2010) | Lanzhou University | 2D 3D TSV |
| 20486938 | 16 | Carbonic anhydrase inhibitors: Inhibition of human erythrocyte isozymes I and II with a series of phenolic acids. |
Chem Biol Drug Des 75: 515-20 (2010) | Ataturk University | 2D 3D TSV |
| 20486930 | 44 | The use of biochemical and biophysical tools for triage of high-throughput screening hits - A case study with Escherichia coli phosphopantetheine adenylyltransferase. |
Chem Biol Drug Des 75: 444-54 (2010) | Pfizer Inc | 2D 3D TSV |
| 20483621 | 28 | Synthesis and structure-activity relationships of 1,2,3,4-tetrahydropyrido[2,3-b]pyrazines as potent and selective inhibitors of the anaplastic lymphoma kinase. |
Bioorg Med Chem 18: 4351-62 (2010) | Cephalon Inc | 2D 3D TSV |
| 20483614 | 56 | 5-arylamino-1,2,4-triazin-6(1H)-one CRF1 receptor antagonists. |
Bioorg Med Chem Lett 20: 3579-83 (2010) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 20483612 | 41 | Hit-to-lead optimization of disubstituted oxadiazoles and tetrazoles as mGluR5 NAMs. |
Bioorg Med Chem Lett 20: 3737-41 (2010) | Gedeon Richter Plc | 2D 3D TSV |
| 20483611 | 89 | 2' biaryl amides as novel and subtype selective M1 agonists. Part I: Identification, synthesis, and initial SAR. |
Bioorg Med Chem Lett 20: 3540-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20483608 | 139 | New pyrazolo[1,5a]pyrimidines as orally active inhibitors of Lck. |
Bioorg Med Chem Lett 20: 3628-31 (2010) | Novartis Institute of Biomedical Research | 2D 3D TSV |
| 20483606 | 71 | Dihydro-pyrano[2,3-b]pyridines and tetrahydro-1,8-naphthyridines as CB1 receptor inverse agonists: synthesis, SAR and biological evaluation. |
Bioorg Med Chem Lett 20: 3750-4 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20483605 | 47 | Discovery of a novel series of CXCR3 antagonists. |
Bioorg Med Chem Lett 20: 3614-7 (2010) | Merck Serono | 2D 3D TSV |
| 20483603 | 106 | (2S,4S)-1-[2-(1,1-dimethyl-3-oxo-3-pyrrolidin-1-yl-propylamino)acetyl]-4-fluoro-pyrrolidine-2-carbonitrile: a potent, selective, and orally bioavailable dipeptide-derived inhibitor of dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 20: 3596-600 (2010) | National Health Research Institutes | 2D 3D TSV |
| 20483602 | 23 | 5-ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer. |
Bioorg Med Chem Lett 20: 3526-9 (2010) | Wyeth Research | 2D 3D TSV |
| 20483601 | 22 | Investigation of Beckett-Casy model 2: synthesis of novel 15-16 nornaltrexone derivatives and their pharmacology. |
Bioorg Med Chem Lett 20: 3726-9 (2010) | Kitasato University | 2D 3D TSV |
| 20483599 | 81 | 2' biaryl amides as novel and subtype selective M1 agonists. Part II: Further optimization and profiling. |
Bioorg Med Chem Lett 20: 3545-9 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20481631 | 5 | Unexpected reaction of 2-alkylsulfanylimidazoles to imidazol-2-ones: pyridinylimidazol-2-ones as novel potent p38alpha mitogen-activated protein kinase inhibitors. |
J Med Chem 53: 4798-802 (2010) | Eberhard Karls University of Tubingen | 2D 3D TSV |
| 20481595 | 48 | Design of selective, ATP-competitive inhibitors of Akt. |
J Med Chem 53: 4615-22 (2010) | Pfizer Inc | 2D 3D TSV |
| 20481570 | 81 | Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors. |
J Med Chem 53: 4803-7 (2010) | Universita di Siena | 2D 3D TSV |
| 20481544 | 3 | Rearranged diterpenoids from the biotransformation of ent-trachyloban-18-oic acid by Rhizopus arrhizus. |
J Nat Prod 73: 1121-5 (2010) | Centre de Recherche de Gif | 2D 3D TSV |
| 20481538 | 4 | Identification and functional characterization of a stable, centrally active derivative of the neurotensin (8-13) fragment as a potential first-in-class analgesic. |
J Med Chem 53: 4623-32 (2010) | Medical University of South Carolina Campus | 2D 3D TSV |
| 20481492 | 18 | Structure-activity relationships in human toll-like receptor 7-active imidazoquinoline analogues. |
J Med Chem 53: 4450-65 (2010) | University of Kansas | 2D 3D TSV |
| 20481485 | 1 | Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules. |
J Med Chem 53: 4793-7 (2010) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
| 20481438 | 33 | Design and synthesis of alpha-ketoamides as cathepsin S inhibitors with potential applications against tumor invasion and angiogenesis. |
J Med Chem 53: 4545-9 (2010) | National Tsing Hua University | 2D 3D TSV |
| 20478711 | 12 | Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists. |
Bioorg Med Chem 18: 4446-52 (2010) | Kitasato University | 2D 3D TSV |
| 20478710 | 13 | Novel tricyclic Delta(2)-isoxazoline and 3-oxo-2-methyl-isoxazolidine derivatives: synthesis and binding affinity at neuronal nicotinic acetylcholine receptor subtypes. |
Bioorg Med Chem 18: 4498-508 (2010) | Universit£ degli Studi di Milano | 2D 3D TSV |
| 20478708 | 28 | New hydroxypyrimidinone-containing sulfonamides as carbonic anhydrase inhibitors also acting as MMP inhibitors. |
Bioorg Med Chem Lett 20: 3623-7 (2010) | LNEG | 2D 3D TSV |
| 20476840 | 9 | Tyrosinase inhibitory effect of benzoic acid derivatives and their structure-activity relationships. |
J Enzyme Inhib Med Chem 25: 812-7 (2010) | Yonsei University | 2D 3D TSV |
| 20476787 | 5 | Sialic acid-mimic peptides as hemagglutinin inhibitors for anti-influenza therapy. |
J Med Chem 53: 4441-9 (2010) | Keio University | 2D 3D TSV |
| 20476738 | 14 | Synthesis and evaluation of new endomorphin-2 analogues containing (Z)-alpha,beta-didehydrophenylalanine (Delta(Z)Phe) residues. |
J Med Chem 53: 4550-4 (2010) | Universit£ di Roma | 2D 3D TSV |
| 20472448 | 25 | Design, synthesis, and pharmacological evaluation of N-(4-mono and 4,5-disubstituted thiazol-2-yl)-2-aryl-3-(tetrahydro-2H-pyran-4-yl)propanamides as glucokinase activators. |
Bioorg Med Chem 18: 3875-84 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20472447 | 45 | Synthesis and biological evaluation of novel (4 or 5-aryl)pyrazolyl-indoles as inhibitors of interleukin-2 inducible T-cell kinase (ITK). |
Bioorg Med Chem 18: 4547-59 (2010) | Nycomed Pharma Pvt. Ltd | 2D 3D TSV |
| 20472445 | 23 | Synthesis and biological evaluation of 4(5)-(6-methylpyridin-2-yl)imidazoles and -pyrazoles as transforming growth factor-beta type 1 receptor kinase inhibitors. |
Bioorg Med Chem 18: 4459-67 (2010) | Ewha Womans University | 2D 3D TSV |
| 20472442 | 25 | On the inhibition of histone deacetylase 8. |
Bioorg Med Chem 18: 4103-10 (2010) | University of Notre Dame | 2D 3D TSV |
| 20472440 | 1 | Design and synthesis of new potent anticancer pyrazoles with high FLT3 kinase inhibitory selectivity. |
Bioorg Med Chem 18: 3961-73 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 20472439 | 37 | Dammaranes from Gynostemma pentaphyllum and synthesis of their derivatives as inhibitors of protein tyrosine phosphatase 1B. |
Bioorg Med Chem 18: 3934-9 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20472438 | 17 | The scope of thallium nitrate oxidative cyclization of chalcones; synthesis and evaluation of isoflavone and aurone analogs for their inhibitory activity against interleukin-5. |
Bioorg Med Chem 18: 4441-5 (2010) | Chungnam National University | 2D 3D TSV |
| 20472433 | 37 | New aminopropandiol derivatives as orally available and short-acting calcium-sensing receptor antagonists. |
Bioorg Med Chem Lett 20: 3809-13 (2010) | Central Pharmaceutical Research Institute | 2D 3D TSV |
| 20472432 | 29 | Rapid synthesis of an array of trisubstituted urea-based soluble epoxide hydrolase inhibitors facilitated by a novel solid-phase method. |
Bioorg Med Chem Lett 20: 3703-7 (2010) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 20472431 | 32 | Design, synthesis and evaluation of 2,4-disubstituted pyrimidines as cholinesterase inhibitors. |
Bioorg Med Chem Lett 20: 3606-9 (2010) | University of Waterloo | 2D 3D TSV |
| 20472430 | 114 | Syntheses and structure-activity relationship (SAR) studies of 2,5-diazabicyclo[2.2.1]heptanes as novel alpha7 neuronal nicotinic receptor (NNR) ligands. |
Bioorg Med Chem Lett 20: 3636-9 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20472429 | 80 | Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV. |
Bioorg Med Chem Lett 20: 3601-5 (2010) | Istituto di Biostrutture e Bioimmagini-CNR | 2D 3D TSV |
| 20472428 | 27 | Mapping the ATP-binding domain of DNA-dependent protein kinase (DNA-PK) with coumarin- and isocoumarin-derived inhibitors. |
Bioorg Med Chem Lett 20: 3649-53 (2010) | Newcastle University | 2D 3D TSV |
| 20472330 | 16 | Novel 8-arylated purines as inhibitors of glycogen synthase kinase. |
Eur J Med Chem 45: 3389-93 (2010) | Institut Curie | 2D 3D TSV |
| 20471843 | 60 | Synthesis and biological evaluation of a new series of berberine derivatives as dual inhibitors of acetylcholinesterase and butyrylcholinesterase. |
Bioorg Med Chem 18: 4475-84 (2010) | Sun Yat-sen University | 2D 3D TSV |
| 20471839 | 4 | Synthesis and anti-inflammatory activity of new arylidene-thiazolidine-2,4-diones as PPARgamma ligands. |
Bioorg Med Chem 18: 3805-11 (2010) | Universidade Federal de Pernambuco | 2D 3D TSV |
| 20471838 | 9 | Design and synthesis of 2,4-disubstituted polyhydroquinolines as prospective antihyperglycemic and lipid modulating agents. |
Bioorg Med Chem 18: 4138-48 (2010) | Central Drug Research Institute | 2D 3D TSV |
| 20471832 | 60 | Discovery of 6-chloro-2-trifluoromethyl-7-aryl-7H-imidazo[1,2-a]imidazol-3-ylmethylamines, a novel class of corticotropin-releasing factor receptor type 1 (CRF1R) antagonists. |
Bioorg Med Chem Lett 20: 3669-74 (2010) | Bristol-Myers Squibb Pharmaceutical Research Institute | 2D 3D TSV |
| 20471831 | 31 | The discovery and SAR of indoline-3-carboxamides--a new series of 5-HT6 antagonists. |
Bioorg Med Chem Lett 20: 3713-6 (2010) | Schering-Plough Research Institute | 2D 3D TSV |
| 20471829 | 43 | Discovery of 4-[1-[([1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl]carbonyl)amino]cyclopropyl]benzoic acid (MF-766), a highly potent and selective EP4 antagonist for treating inflammatory pain. |
Bioorg Med Chem Lett 20: 3760-3 (2010) | Merck Frosst Canada Ltd | 2D 3D TSV |
| 20471275 | 42 | A structure-activity relationship study elucidating the mechanism of sequence-specific collagen recognition by the chaperone HSP47. |
Bioorg Med Chem 18: 3767-75 (2010) | Waseda University | 2D 3D TSV |
| 20471260 | 146 | Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity. |
Bioorg Med Chem Lett 20: 3788-92 (2010) | Pfizer Inc | 2D 3D TSV |
| 20471258 | 117 | Synthesis and evaluation of azabicyclo[3.2.1]octane derivatives as potent mixed vasopressin antagonists. |
Bioorg Med Chem Lett 20: 3742-5 (2010) | Pfizer Inc | 2D 3D TSV |
| 20471256 | 53 | Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors. |
Bioorg Med Chem Lett 20: 3821-5 (2010) | Pfizer Inc | 2D 3D TSV |
| 20471255 | 34 | Biochemical and biophysical characterization of unique switch pocket inhibitors of p38a. |
Bioorg Med Chem Lett 20: 5787-92 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20471253 | 32 | Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines. |
Bioorg Med Chem Lett 20: 3746-9 (2010) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 20471252 | 22 | Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening. |
Bioorg Med Chem Lett 20: 3675-9 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20469887 | 5 | An isoaurone and other constituents from Trichosanthes kirilowii seeds inhibit hypoxia-inducible factor-1 and nuclear factor-kappaB. |
J Nat Prod 73: 1167-9 (2010) | Korean Research Institute of Biosciences and Biotechnology | 2D 3D TSV |
| 20469868 | 176 | Structure guided design of 5-arylindazole glucocorticoid receptor agonists and antagonists. |
J Med Chem 53: 4531-44 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20466555 | 2 | Design and synthesis of novel Gefitinib analogues with improved anti-tumor activity. |
Bioorg Med Chem 18: 3812-22 (2010) | Southeast University | 2D 3D TSV |
| 20466553 | 6 | Synthesis and in vitro toxicity of 4-MTA, its characteristic clandestine synthesis byproducts and related sulfur substituted alpha-alkylthioamphetamines. |
Bioorg Med Chem 18: 4009-31 (2010) | Trinity College | 2D 3D TSV |
| 20466543 | 13 | Regiospecific and conformationally restrained analogs of melphalan and DL-2-NAM-7 and their affinities for the large neutral amino acid transporter (system LAT1) of the blood-brain barrier. |
Bioorg Med Chem Lett 20: 3688-91 (2010) | University of Kentucky | 2D 3D TSV |
| 20466542 | 6 | 1,4-dihydropyrazolo[4,3-d]imidazole phenyl derivatives: a novel type II Raf kinase inhibitors. |
Bioorg Med Chem Lett 20: 3805-8 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 20466465 | 1 | Quinolines and structurally related heterocycles as antimalarials. |
Eur J Med Chem 45: 3245-64 (2010) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
| 20465311 | 36 | Novel alpha-7 nicotinic acetylcholine receptor agonists containing a urea moiety: identification and characterization of the potent, selective, and orally efficacious agonist 1-[6-(4-fluorophenyl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl) urea (SEN34625/WYE-103914). |
J Med Chem 53: 4379-89 (2010) | Siena Biotech SpA | 2D 3D TSV |
| 20465278 | 27 | Discovery of a potent, orally active 11beta-hydroxysteroid dehydrogenase type 1 inhibitor for clinical study: identification of (S)-2-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one (AMG 221). |
J Med Chem 53: 4481-7 (2010) | Amgen Inc | 2D 3D TSV |
| 20463018 | 3 | Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode. |
J Biol Chem 285: 22282-90 (2010) | The University of Kansas | 2D 3D TSV |
| 20462762 | 19 | Inhibition of Mycobacterium tuberculosis tyrosine phosphatase PtpA by synthetic chalcones: kinetics, molecular modeling, toxicity and effect on growth. |
Bioorg Med Chem 18: 3783-9 (2010) | Universidade Federal de Santa Catarina | 2D 3D TSV |
| 20462760 | 70 | Substituted 2H-isoquinolin-1-one as potent Rho-Kinase inhibitors. Part 1: Hit-to-lead account. |
Bioorg Med Chem Lett 20: 3235-9 (2010) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 20462757 | 15 | Molecular docking studies of phlorotannins from Eisenia bicyclis with BACE1 inhibitory activity. |
Bioorg Med Chem Lett 20: 3211-5 (2010) | Pukyong National University | 2D 3D TSV |
| 20462271 | 2 | Cryptosphaerolide, a cytotoxic Mcl-1 inhibitor from a marine-derived ascomycete related to the genus Cryptosphaeria. |
J Nat Prod 73: 998-1001 (2010) | University of California San Diego | 2D 3D TSV |
| 20462263 | 127 | Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors. |
J Med Chem 53: 4367-78 (2010) | Cyclacel Ltd | 2D 3D TSV |
| 20462258 | 50 | Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating metabolic inactivation: an antedrug approach. |
J Med Chem 53: 4522-30 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20462217 | 17 | Rational design of a topical androgen receptor antagonist for the suppression of sebum production with properties suitable for follicular delivery. |
J Med Chem 53: 4422-7 (2010) | Pfizer Inc | 2D 3D TSV |
| 20462213 | 6 | Biochemical and structural analysis of the binding determinants of a vascular endothelial growth factor receptor peptidic antagonist. |
J Med Chem 53: 4428-40 (2010) | University of Paris | 2D 3D TSV |
| 20462211 | 92 | Discovery of novel selective norepinephrine reuptake inhibitors: 4-[3-aryl-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)butan-2-ols (WYE-103231). |
J Med Chem 53: 4511-21 (2010) | Pfizer Inc | 2D 3D TSV |
| 20459125 | 60 | Analysis of kinase inhibitor selectivity using a thermodynamics-based partition index. |
J Med Chem 53: 4502-10 (2010) | Amgen Inc | 2D 3D TSV |
| 20457823 | 8 | Lipophilic bisphosphonates are potent inhibitors of Plasmodium liver-stage growth. |
Antimicrob Agents Chemother 54: 2987-93 (2010) | National Institute of Immunology | 2D 3D TSV |
| 20457528 | 22 | 2,5-Dideoxy-2,5-imino-d-altritol as a new class of pharmacological chaperone for Fabry disease. |
Bioorg Med Chem 18: 3790-4 (2010) | University of Toyama | 2D 3D TSV |
| 20457527 | 42 | Synthesis and structure-activity relationships of 2-acylamino-4,6-diphenylpyridine derivatives as novel antagonists of GPR54. |
Bioorg Med Chem 18: 3841-59 (2010) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 20457525 | 225 | In vitro studies on a class of quinoline containing histamine H3 antagonists. |
Bioorg Med Chem Lett 20: 3295-300 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20457522 | 2 | Discovery of a new potent bisamide FMS kinase inhibitor. |
Bioorg Med Chem Lett 20: 3216-8 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 20457519 | 29 | 3-Indolyl sultams as selective CRTh2 antagonists. |
Bioorg Med Chem Lett 20: 3287-90 (2010) | Athersys Inc | 2D 3D TSV |
| 20457518 | 22 | Discovery of TRPV1 antagonist ABT-116. |
Bioorg Med Chem Lett 20: 3291-4 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20457517 | 21 | Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists. |
Bioorg Med Chem Lett 20: 3219-22 (2010) | Roche Palo Alto LLC | 2D 3D TSV |
| 20456959 | 22 | Structure-activity relationships of carbocyclic 6-benzylthioinosine analogues as subversive substrates of Toxoplasma gondii adenosine kinase. |
Bioorg Med Chem 18: 3403-12 (2010) | University of Georgia | 2D 3D TSV |
| 20456957 | 96 | Serotonin derivatives as a new class of non-ATP-competitive receptor tyrosine kinase inhibitors. |
Bioorg Med Chem 18: 3387-402 (2010) | Universit£t Leipzig | 2D 3D TSV |
| 20455574 | 9 | Site-activated chelators targeting acetylcholinesterase and monoamine oxidase for Alzheimer's therapy. |
ACS Chem Biol 5: 603-10 (2010) | The Weizmann Institute of Science | 2D 3D TSV |
| 20455563 | 49 | Discovery and structure-activity relationship of 3-methoxy-N-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)benzamide (APD791): a highly selective 5-hydroxytryptamine2A receptor inverse agonist for the treatment of arterial thrombosis. |
J Med Chem 53: 4412-21 (2010) | Arena Pharmaceuticals | 2D 3D TSV |
| 20452776 | 29 | Synthesis and characterization of potent inhibitors of Trypanosoma cruzi dihydrofolate reductase. |
Bioorg Med Chem 18: 4056-66 (2010) | University of Alabama | 2D 3D TSV |
| 20452769 | 74 | Synthesis of 4-[(diethylamino)methyl]-phenol derivatives as novel cholinesterase inhibitors with selectivity towards butyrylcholinesterase. |
Bioorg Med Chem Lett 20: 3254-8 (2010) | Sun Yat-sen University | 2D 3D TSV |
| 20452768 | 3 | Synthesis of neurotensin(8-13)-phosphopeptide heterodimers via click chemistry. |
Bioorg Med Chem Lett 20: 3306-9 (2010) | Institute of Radiopharmacy | 2D 3D TSV |
| 20452767 | 65 | Modulation of 11beta-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles. |
Bioorg Med Chem Lett 20: 3265-71 (2010) | University of Edinburgh | 2D 3D TSV |
| 20452766 | 96 | Studies on two types of PTP1B inhibitors for the treatment of type 2 diabetes: Hologram QSAR for OBA and BBB analogues. |
Bioorg Med Chem Lett 20: 3329-37 (2010) | Tsinghua University | 2D 3D TSV |
| 20452228 | 13 | Identification of new non-carboxylic acid containing inhibitors of aldose reductase. |
Bioorg Med Chem 18: 4049-55 (2010) | University of Messina | 2D 3D TSV |
| 20452227 | 15 | Analogs of zanamivir with modified C4-substituents as the inhibitors against the group-1 neuraminidases of influenza viruses. |
Bioorg Med Chem 18: 4074-84 (2010) | National Taiwan University | 2D 3D TSV |
| 20452226 | 15 | New orally bioavailable 2-aminobenzamide-type histone deacetylase inhibitor possessing a (2-hydroxyethyl)(4-(thiophen-2-yl)benzyl)amino group. |
Bioorg Med Chem 18: 3925-33 (2010) | Kansai University | 2D 3D TSV |
| 20452225 | 49 | Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids. |
Bioorg Med Chem 18: 4119-37 (2010) | McGill University | 2D 3D TSV |
| 20452224 | 26 | New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides to the dicopper active site. |
Bioorg Med Chem 18: 4042-8 (2010) | King Saud University | 2D 3D TSV |
| 20452222 | 5 | Structural determinants for the inhibitory ligands of orotidine-5'-monophosphate decarboxylase. |
Bioorg Med Chem 18: 4032-41 (2010) | University Health Network | 2D 3D TSV |
| 20452213 | 65 | Agonist/antagonist modulation in a series of 2-aryl benzimidazole H4 receptor ligands. |
Bioorg Med Chem Lett 20: 3367-71 (2010) | Johnson & Johnson Pharmaceutical Research & Development | 2D 3D TSV |
| 20452212 | 26 | Glycine amides as PPARalpha agonists. |
Bioorg Med Chem Lett 20: 3376-9 (2010) | Bayer-Schering Pharma | 2D 3D TSV |
| 20452209 | 64 | Discovery of pyrazolyl propionyl cyclohexenamide derivatives as full agonists for the high affinity niacin receptor GPR109A. |
Bioorg Med Chem Lett 20: 3372-5 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20451397 | 55 | Synthesis and biological activity of N-aroyl-tetrahydro-gamma-carbolines. |
Bioorg Med Chem 18: 3910-24 (2010) | Universit£ Lille Nord de France | 2D 3D TSV |
| 20451396 | 5 | Synthesis and NMDA receptor affinity of fluorinated dioxadrol analogues. |
Bioorg Med Chem 18: 4095-102 (2010) | Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhems-Universit£t M£nster | 2D 3D TSV |
| 20451394 | 10 | Dual Src and Abl inhibitors target wild type Abl and the AblT315I Imatinib-resistant mutant with different mechanisms. |
Bioorg Med Chem 18: 3999-4008 (2010) | Institute of Molecular Genetics IGM-CNR | 2D 3D TSV |
| 20451378 | 107 | Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity. |
Bioorg Med Chem Lett 20: 3314-21 (2010) | S*BIO Pte Ltd | 2D 3D TSV |
| 20450197 | 80 | Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors. |
J Med Chem 53: 4399-411 (2010) | Biotie Therapies GmbH | 2D 3D TSV |
| 20446735 | 59 | Pyrimidine ribonucleotides with enhanced selectivity as P2Y(6) receptor agonists: novel 4-alkyloxyimino, (S)-methanocarba, and 5'-triphosphate gamma-ester modifications. |
J Med Chem 53: 4488-501 (2010) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 20446681 | 158 | 2-imino-thiazolidin-4-one derivatives as potent, orally active S1P1 receptor agonists. |
J Med Chem 53: 4198-211 (2010) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
| 20444610 | 71 | Design, synthesis and pharmacological evaluation of novel naphthalenic derivatives as selective MT(1) melatoninergic ligands. |
Bioorg Med Chem 18: 3426-36 (2010) | University of Lille | 2D 3D TSV |
| 20444603 | 2 | Flexible ligand recognition of peroxisome proliferator-activated receptor-gamma (PPARgamma). |
Bioorg Med Chem Lett 20: 3344-7 (2010) | Rikkyo University | 2D 3D TSV |
| 20444602 | 66 | Anthranilic acid replacements in a niacin receptor agonist. |
Bioorg Med Chem Lett 20: 3426-30 (2010) | Merck & Co. | 2D 3D TSV |
| 20444281 | 18 | Novel protein kinase D inhibitors cause potent arrest in prostate cancer cell growth and motility. |
BMC Chem Biol 10: 5 (2010) | University of Pittsburgh | 2D 3D TSV |
| 20443629 | 38 | The synthesis and biological evaluation of quinolyl-piperazinyl piperidines as potent serotonin 5-HT1A antagonists. |
J Med Chem 53: 4066-84 (2010) | Pfizer Inc | 2D 3D TSV |
| 20443627 | 26 | BI-97C1, an optically pure Apogossypol derivative as pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. |
J Med Chem 53: 4166-76 (2010) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
| 20443228 | 35 | 1-(2-Ethoxyethyl)-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors. |
Bioorg Med Chem Lett 20: 3120-4 (2010) | Pfizer Inc | 2D 3D TSV |
| 20443227 | 37 | 3D-QSAR study of benzene sulfonamide analogs as carbonic anhydrase II inhibitors. |
Bioorg Med Chem Lett 20: 3089-93 (2010) | GITAM University | 2D 3D TSV |
| 20443226 | 15 | Cyclopeptide Smac mimetics as antagonists of IAP proteins. |
Bioorg Med Chem Lett 20: 3043-6 (2010) | University of Michigan | 2D 3D TSV |
| 20443225 | 3 | Synthesis and SAR of novel isoquinoline CXCR4 antagonists with potent anti-HIV activity. |
Bioorg Med Chem Lett 20: 3026-30 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20441222 | 37 | Vaccinia virus virulence factor N1L is a novel promising target for antiviral therapeutic intervention. |
J Med Chem 53: 3899-906 (2010) | Institute for Medical Research | 2D 3D TSV |
| 20441176 | 76 | Conformationally constrained kappa receptor agonists: stereoselective synthesis and pharmacological evaluation of 6,8-diazabicyclo[3.2.2]nonane derivatives. |
J Med Chem 53: 4212-22 (2010) | Wilhelms-Universit£t M£nster | 2D 3D TSV |
| 20441173 | 19 | 2-aminoimidazole amino acids as inhibitors of the binuclear manganese metalloenzyme human arginase I. |
J Med Chem 53: 4266-76 (2010) | University of Pennsylvania | 2D 3D TSV |
| 20438080 | 10 | Novel irreversible fluorescent probes targeting the 18 kDa translocator protein: synthesis and biological characterization. |
J Med Chem 53: 4085-93 (2010) | Universit£ di Pisa | 2D 3D TSV |
| 20438064 | 14 | Mechanism-based inhibitors of the aspartyl protease plasmepsin II as potential antimalarial agents. |
J Med Chem 53: 4234-47 (2010) | Wayne State University | 2D 3D TSV |
| 20434913 | 16 | N-Hydroxybenzimidazole inhibitors of ExsA MAR transcription factor in Pseudomonas aeruginosa: In vitro anti-virulence activity and metabolic stability. |
Bioorg Med Chem Lett 20: 3380-3 (2010) | Paratek Pharmaceuticals, Inc. | 2D 3D TSV |
| 20434910 | 60 | Highly potent, non-basic 5-HT6 ligands. Site mutagenesis evidence for a second binding mode at 5-HT6 for antagonism. |
Bioorg Med Chem Lett 20: 3436-40 (2010) | Roche Palo Alto LLC | 2D 3D TSV |
| 20434909 | 41 | Novel C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents: Pyridazinylmethylphenyl glucoside congeners. |
Bioorg Med Chem Lett 20: 3420-5 (2010) | Green Cross Corporation | 2D 3D TSV |
| 20434817 | 6 | Synthesis of novel peptidomimetics as inhibitors of protozoan cysteine proteases falcipain-2 and rhodesain. |
Eur J Med Chem 45: 3228-33 (2010) | University of Messina | 2D 3D TSV |
| 20434334 | 60 | Benzothiophene containing Rho kinase inhibitors: Efficacy in an animal model of glaucoma. |
Bioorg Med Chem Lett 20: 3361-6 (2010) | Kalypsys Inc | 2D 3D TSV |
| 20434333 | 111 | A vHTS approach for the identification of beta-adrenoceptor ligands. |
Bioorg Med Chem Lett 20: 3399-404 (2010) | 4SC AG | 2D 3D TSV |
| 20433142 | 3 | Synthetic N-acetyl-D-glucosamine based fully branched tetrasaccharide, a mimetic of the endogenous ligand for CD69, activates CD69+ killer lymphocytes upon dimerization via a hydrophilic flexible linker. |
J Med Chem 53: 4050-65 (2010) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 20430631 | 24 | NO-releasing esters show carbonic anhydrase inhibitory action against human isoforms I and II. |
Bioorg Med Chem 18: 3559-63 (2010) | Atat£rk University | 2D 3D TSV |
| 20430629 | 10 | 1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies. |
Bioorg Med Chem 18: 3413-25 (2010) | National Hellenic Research Foundation | 2D 3D TSV |
| 20430628 | 21 | Virtual screening, selection and development of a benzindolone structural scaffold for inhibition of lumazine synthase. |
Bioorg Med Chem 18: 3518-34 (2010) | Purdue University | 2D 3D TSV |
| 20430619 | 73 | 8-THP-DHI analogs as potent Type I dual TIE-2/VEGF-R2 receptor tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 20: 3356-60 (2010) | Cephalon Inc | 2D 3D TSV |
| 20430618 | 21 | Optimisation of a pyrazole series of progesterone antagonists; Part 1. |
Bioorg Med Chem Lett 20: 3384-6 (2010) | Pfizer Inc | 2D 3D TSV |
| 20430616 | 36 | Discovery of potent, balanced and orally active dual NK1/NK3 receptor ligands. |
Bioorg Med Chem Lett 20: 3405-8 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20429779 | 11 | Carbocyclic potential DNA minor groove binders and their biological evaluation. |
J Enzyme Inhib Med Chem 25: 629-34 (2010) | Medical University | 2D 3D TSV |
| 20429511 | 6 | Second generation analogues of the cancer drug clinical candidate tipifarnib for anti-Chagas disease drug discovery. |
J Med Chem 53: 3887-98 (2010) | University of Washington | 2D 3D TSV |
| 20427189 | 1 | A collection of caged compounds for probing roles of local translation in neurobiology. |
Bioorg Med Chem 18: 7746-52 (2010) | University of Toronto | 2D 3D TSV |
| 20427184 | 36 | 5-Functionalized indazoles as glucocorticoid receptor agonists. |
Bioorg Med Chem Lett 20: 3017-20 (2010) | AMRI | 2D 3D TSV |
| 20427100 | 107 | 5D-QSAR for spirocyclic sigma1 receptor ligands by Quasar receptor surface modeling. |
Eur J Med Chem 45: 3116-24 (2010) | Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster | 2D 3D TSV |
| 20426472 | 44 | Colloid formation by drugs in simulated intestinal fluid. |
J Med Chem 53: 4259-65 (2010) | University of California San Francisco | 2D 3D TSV |
| 20426456 | 12 | Hasubanan alkaloids with delta-opioid binding affinity from the aerial parts of Stephania japonica. |
J Nat Prod 73: 988-91 (2010) | Griffith University | 2D 3D TSV |
| 20426425 | 2 | Drug-resistant aurora A mutants for cellular target validation of the small molecule kinase inhibitors MLN8054 and MLN8237. |
ACS Chem Biol 5: 563-76 (2010) | University of Sheffield | 2D 3D TSV |
| 20426423 | 1 | Creating an antibacterial with in vivo efficacy: synthesis and characterization of potent inhibitors of the bacterial cell division protein FtsZ with improved pharmaceutical properties. |
J Med Chem 53: 3927-36 (2010) | Biota Europe Ltd. | 2D 3D TSV |
| 20426422 | 12 | Iminochromene inhibitors of dynamins I and II GTPase activity and endocytosis. |
J Med Chem 53: 4094-102 (2010) | The University of Newcastle | 2D 3D TSV |
| 20426416 | 23 | Inhibition of the Fe(4)S(4)-cluster-containing protein IspH (LytB): electron paramagnetic resonance, metallacycles, and mechanisms. |
J Am Chem Soc 132: 6719-27 (2010) | University of Illinois at Urbana-Champaign | 2D 3D TSV |
| 20423107 | 5 | The alternative medicine pawpaw and its acetogenin constituents suppress tumor angiogenesis via the HIF-1/VEGF pathway. |
J Nat Prod 73: 956-61 (2010) | University of Mississippi | 2D 3D TSV |
| 20423086 | 93 | Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity. |
J Med Chem 53: 4028-37 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20421396 | 3 | Substrate selectivity and a novel role in inhibitor discrimination by residue 237 in the KPC-2 beta-lactamase. |
Antimicrob Agents Chemother 54: 2867-77 (2010) | Case Western Reserve University | 2D 3D TSV |
| 20420456 | 6 | Polyamines in drug discovery: from the universal template approach to the multitarget-directed ligand design strategy. |
J Med Chem 53: 5906-14 (2010) | University of Bologna | 2D 3D TSV |
| 20420387 | 118 | Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase. |
J Med Chem 53: 3973-4001 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20417587 | 14 | Synthesis and evaluation of benzoxazinone derivatives on activity of human neutrophil elastase and on hemorrhagic shock-induced lung injury in rats. |
Eur J Med Chem 45: 3111-5 (2010) | Chang Gung University | 2D 3D TSV |
| 20417107 | 64 | Design of new potent and selective secretory phospholipase A(2) inhibitors. 6-Synthesis, structure-activity relationships and molecular modelling of 1-substituted-4-[4,5-dihydro-1,2,4-(4H)-oxadiazol-5-one-3-yl(methyl)]-functionalized aryl piperazin/one/dione derivatives. |
Bioorg Med Chem 18: 3588-600 (2010) | Universit£ Paris Diderot | 2D 3D TSV |
| 20417098 | 30 | Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists. |
Bioorg Med Chem Lett 20: 3116-9 (2010) | Roche Palo Alto LLC | 2D 3D TSV |
| 20416509 | 14 | Utilization of an in vivo reporter for high throughput identification of branched small molecule regulators of hypoxic adaptation. |
Chem Biol 17: 380-91 (2010) | Weill Medical College of Cornell University | 2D 3D TSV |
| 20413314 | 14 | Novel estrone mimetics with high 17beta-HSD1 inhibitory activity. |
Bioorg Med Chem 18: 3494-505 (2010) | Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
| 20413313 | 14 | Functionalized pyrazoles and pyrazolo[3,4-d]pyridazinones: Synthesis and evaluation of their phosphodiesterase 4 inhibitory activity. |
Bioorg Med Chem 18: 3506-17 (2010) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 20413312 | 17 | Synthesis and opioid activity of novel 6-substituted-6-demethoxy-ethenomorphinans. |
Bioorg Med Chem 18: 3535-42 (2010) | University of Debrecen | 2D 3D TSV |
| 20413308 | 53 | Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19). |
Bioorg Med Chem Lett 20: 3050-64 (2010) | Johns Hopkins University | 2D 3D TSV |
| 20411957 | 4 | Synthesis of DOTA-conjugated multimeric [Tyr3]octreotide peptides via a combination of Cu(I)-catalyzed"click" cycloaddition and thio acid/sulfonyl azide"sulfo-click" amidation and their in vivo evaluation. |
J Med Chem 53: 3944-53 (2010) | Utrecht University | 2D 3D TSV |
| 20411954 | 17 | Structure-activity relationships of fluorinated (E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-enone-O-methyloxime (ABP688) derivatives and the discovery of a high affinity analogue as a potential candidate for imaging metabotropic glutamate recepors subtype 5 (mGluR5) with positron emission tomog |
J Med Chem 53: 4009-17 (2010) | ETH Zurich | 2D 3D TSV |
| 20409721 | 1 | Discovery of GS-9131: Design, synthesis and optimization of amidate prodrugs of the novel nucleoside phosphonate HIV reverse transcriptase (RT) inhibitor GS-9148. |
Bioorg Med Chem 18: 3606-17 (2010) | Gilead Sciences | 2D 3D TSV |
| 20409718 | 1 | Synthesis and binding analysis of unique AG2 pentasaccharide to human Siglec-2 using NMR techniques. |
Bioorg Med Chem 18: 3720-5 (2010) | Institute | 2D 3D TSV |
| 20409708 | 65 | 3-Aryl-5-phenoxymethyl-1,3-oxazolidin-2-ones as positive allosteric modulators of mGluR2 for the treatment of schizophrenia: Hit-to-lead efforts. |
Bioorg Med Chem Lett 20: 3129-33 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20409707 | 66 | Chiral NG-acylated hetarylpropylguanidine-type histamine H2 receptor agonists do not show significant stereoselectivity. |
Bioorg Med Chem Lett 20: 3173-6 (2010) | University of Regensburg | 2D 3D TSV |
| 20409618 | 31 | Inhibitors of the RET tyrosine kinase based on a 2-(alkylsulfanyl)-4-(3-thienyl)nicotinonitrile scaffold. |
Eur J Med Chem 45: 2919-27 (2010) | Technische Universit£t Braunschweig | 2D 3D TSV |
| 20408553 | 27 | Stereochemical requirements for the mineralocorticoid receptor antagonist activity of dihydropyridines. |
J Med Chem 53: 4300-4 (2010) | Pfizer Inc | 2D 3D TSV |
| 20408551 | 13 | Lessons learned from herbal medicinal products: the example of St. John's Wort (perpendicular). |
J Nat Prod 73: 1015-21 (2010) | Westfalische Wilhelms-Universitat | 2D 3D TSV |
| 20408549 | 50 | Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor. |
J Med Chem 53: 4148-65 (2010) | Menarini Ricerche | 2D 3D TSV |
| 20408532 | 3 | Synthesis and evaluation of 17alpha-arylestradiols as ligands for estrogen receptor alpha and beta. |
J Med Chem 53: 4290-4 (2010) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 20408530 | 98 | Novel N2-substituted pyrazolo[3,4-d]pyrimidine adenosine A3 receptor antagonists: inhibition of A3-mediated human glioblastoma cell proliferation. |
J Med Chem 53: 3954-63 (2010) | Universit£ di Pisa | 2D 3D TSV |
| 20408529 | 32 | 4-hydroxy-1,2,5-oxadiazol-3-yl moiety as bioisoster of the carboxy function. Synthesis, ionization constants, and molecular pharmacological characterization at ionotropic glutamate receptors of compounds related to glutamate and its homologues. |
J Med Chem 53: 4110-8 (2010) | Universit£ degli Studi di Torino | 2D 3D TSV |
| 20405928 | 12 | Function-oriented synthesis of simplified caprazamycins: discovery of oxazolidine-containing uridine derivatives as antibacterial agents against drug-resistant bacteria. |
J Med Chem 53: 3793-813 (2010) | Hokkaido University | 2D 3D TSV |
| 20405927 | 13 | Structure-based discovery of A2A adenosine receptor ligands. |
J Med Chem 53: 3748-55 (2010) | University of California | 2D 3D TSV |
| 20405925 | 5 | Multiple toxin production in the cyanobacterium microcystis: isolation of the toxic protease inhibitor cyanopeptolin 1020. |
J Nat Prod 73: 980-4 (2010) | University of Basel | 2D 3D TSV |
| 20405922 | 53 | Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). |
J Med Chem 53: 3814-30 (2010) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 20405848 | 48 | Design, synthesis, and interaction study of quinazoline-2(1H)-thione derivatives as novel potential Bcl-xL inhibitors. |
J Med Chem 53: 3465-79 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20404126 | 20 | Comparison of in vitro activities of fluoroquinolone-like 2,4- and 1,3-diones. |
Antimicrob Agents Chemother 54: 3011-4 (2010) | University of Minnesota Medical School | 2D 3D TSV |
| 20404117 | 1 | Specificity of induction of the vanA and vanB operons in vancomycin-resistant enterococci by telavancin. |
Antimicrob Agents Chemother 54: 2814-8 (2010) | Theravance, Inc. | 2D 3D TSV |
| 20403700 | 76 | Synthesis and biological activity of N(4)-phenylsubstituted-6-(2,4-dichloro phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic and antitumor agents. |
Bioorg Med Chem 18: 3575-87 (2010) | Duquesne University | 2D 3D TSV |
| 20403696 | 5 | Modifications of C-2 on the pyrroloquinoline template aimed at the development of potent herpesvirus antivirals with improved aqueous solubility. |
Bioorg Med Chem Lett 20: 3039-42 (2010) | Pfizer Inc | 2D 3D TSV |
| 20403693 | 60 | The contribution of a 2-amino group on receptor tyrosine kinase inhibition and antiangiogenic activity in 4-anilinosubstituted pyrrolo[2,3-d]pyrimidines. |
Bioorg Med Chem Lett 20: 3177-81 (2010) | Duquesne University | 2D 3D TSV |
| 20402514 | 34 | The identification of indacaterol as an ultralong-acting inhaled beta2-adrenoceptor agonist. |
J Med Chem 53: 3675-84 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20400309 | 26 | 1-(2-(2,2,2-trifluoroethoxy)ethyl-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors. |
Bioorg Med Chem Lett 20: 3125-8 (2010) | Pfizer Inc | 2D 3D TSV |
| 20399652 | 22 | Macrocyclic BACE inhibitors: Optimization of a micromolar hit to nanomolar leads. |
Bioorg Med Chem Lett 20: 3158-60 (2010) | Johnson & Johnson Pharmaceutical Research & Development | 2D 3D TSV |
| 20399651 | 34 | Synthesis and structure-activity relationships of a series of (1H-pyrazol-4-yl)acetamide antagonists of the P2X7 receptor. |
Bioorg Med Chem Lett 20: 3161-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20399649 | 41 | Insulin-like growth factor-1 receptor (IGF-1R) kinase inhibitors: SAR of a series of 3-[6-(4-substituted-piperazin-1-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridine-2-one. |
Bioorg Med Chem Lett 20: 3182-5 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20397706 | 7 | Investigation of the bioactive conformation of histamine H3 receptor antagonists by the cyclopropylic strain-based conformational restriction strategy. |
J Med Chem 53: 3585-93 (2010) | Hokkaido University | 2D 3D TSV |
| 20397705 | 208 | Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors. |
J Med Chem 53: 3532-51 (2010) | Nerviano Medical Sciences srl | 2D 3D TSV |
| 20395149 | 11 | Synthesis, characterization and vasculoprotective effects of nitric oxide-donating derivatives of chrysin. |
Bioorg Med Chem 18: 3020-5 (2010) | Central South University | 2D 3D TSV |
| 20395148 | 3 | Anti-microtubule 'plinabulin' chemical probe KPU-244-B3 labeled both alpha- and beta-tubulin. |
Bioorg Med Chem 18: 3169-74 (2010) | Tokyo University of Pharmacy and Life Sciences | 2D 3D TSV |
| 20395140 | 42 | Discovery of 5-substituted-N-arylpyridazinones as inhibitors of p38 MAP kinase. |
Bioorg Med Chem Lett 20: 3146-9 (2010) | Pfizer Inc | 2D 3D TSV |
| 20394422 | 6 | Synthesis, chiral high performance liquid chromatographic resolution and enantiospecific activity of a potent new geranylgeranyl transferase inhibitor, 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropionic acid. |
J Med Chem 53: 3454-64 (2010) | University of Southern California | 2D 3D TSV |
| 20394379 | 2 | Merging the structural motifs of functionalized amino acids and alpha-aminoamides: compounds with significant anticonvulsant activities. |
J Med Chem 53: 3756-71 (2010) | University of North Carolina | 2D 3D TSV |
| 20394377 | 12 | Frontal affinity chromatography-mass spectrometry useful for characterization of new ligands for GPR17 receptor. |
J Med Chem 53: 3489-501 (2010) | University of Pavia | 2D 3D TSV |
| 20392639 | 18 | Discovery of 2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide as a potent and CNS penetrable P2X7 receptor antagonist. |
Bioorg Med Chem Lett 20: 3107-11 (2010) | Pfizer Inc | 2D 3D TSV |
| 20392638 | 40 | Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides. |
Bioorg Med Chem Lett 20: 3142-5 (2010) | Takeda California Inc | 2D 3D TSV |
| 20392637 | 159 | Benzimidazole and imidazole inhibitors of histone deacetylases: Synthesis and biological activity. |
Bioorg Med Chem Lett 20: 3138-41 (2010) | Takeda California Inc | 2D 3D TSV |
| 20387815 | 40 | Mono-, di-, and triaryl substituted tetrahydropyrans as cyclooxygenase-2 and tumor growth inhibitors. Synthesis and biological evaluation. |
J Med Chem 53: 3707-17 (2010) | Guru Nanak Dev University | 2D 3D TSV |
| 20385875 | 1 | A nonazole CYP51 inhibitor cures Chagas' disease in a mouse model of acute infection. |
Antimicrob Agents Chemother 54: 2480-8 (2010) | University of California | 2D 3D TSV |
| 20385558 | 8 | Discovery of PDK1 kinase inhibitors with a novel mechanism of action by ultrahigh throughput screening. |
J Biol Chem 285: 18838-46 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20385498 | 115 | 3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 3: Synthesis, metabolic stability, and biological evaluation of optically active analogs. |
Bioorg Med Chem 18: 3212-23 (2010) | Minase Research Institute | 2D 3D TSV |
| 20385496 | 66 | Synthesis and evaluation of new N6-substituted adenosine-5'-N-methylcarboxamides as A3 adenosine receptor agonists. |
Bioorg Med Chem 18: 3078-87 (2010) | Monash University | 2D 3D TSV |
| 20384344 | 42 | Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active histamine type 3 receptor agonist and evaluation of its antistress activity in mice. |
J Med Chem 53: 3840-4 (2010) | Meiji Seika Kaisha, Ltd | 2D 3D TSV |
| 20384317 | 1 | Glutarimide alkaloids and a terpenoid benzoquinone from Cordia globifera. |
J Nat Prod 73: 992-4 (2010) | Chulabhorn Research Institute | 2D 3D TSV |
| 20384315 | 16 | Cytotoxic and NF-kappaB inhibitory constituents of Artocarpus rigida. |
J Nat Prod 73: 949-55 (2010) | The Ohio State University | 2D 3D TSV |
| 20383151 | 2 | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function. |
Nat Chem Biol 6: 359-68 (2010) | Dana-Farber Cancer Institute Inc | 2D 3D TSV |
| 20382541 | 31 | Structure-activity relationships in a novel series of 7-substituted-aryl quinolines and 5-substituted-aryl benzothiazoles at the metabotropic glutamate receptor subtype 5. |
Bioorg Med Chem 18: 3026-35 (2010) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
| 20382540 | 9 | In silico directed chemical probing of the adenosine receptor family. |
Bioorg Med Chem 18: 3043-52 (2010) | Universidade do Minho | 2D 3D TSV |
| 20382537 | 138 | Antagonism of 4-substituted 1,4-dihydropyridine-3,5-dicarboxylates toward voltage-dependent L-type Ca2+ channels Ca V 1.3 and Ca V 1.2. |
Bioorg Med Chem 18: 3147-58 (2010) | Northwestern University | 2D 3D TSV |
| 20382529 | 13 | Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers. |
Bioorg Med Chem Lett 20: 2705-8 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 20382527 | 26 | Design, synthesis and structure-activity relationships of novel biarylamine-based Met kinase inhibitors. |
Bioorg Med Chem Lett 20: 2998-3002 (2010) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 20382019 | 51 | Synthesis of 4-(3-biaryl)quinoline sulfones as potent liver X receptor agonists. |
Bioorg Med Chem Lett 20: 2903-7 (2010) | Wyeth Pharmaceuticals | 2D 3D TSV |
| 20382018 | 81 | Novel substituted pyrrolidines are high affinity histamine H3 receptor antagonists. |
Bioorg Med Chem Lett 20: 2755-60 (2010) | Johnson & Johnson Pharmaceutical Research & Development LLC | 2D 3D TSV |
| 20382016 | 8 | Chromone-2- and -3-carboxylic acids inhibit differently monoamine oxidases A and B. |
Bioorg Med Chem Lett 20: 2709-12 (2010) | Universit£ Magna Graecia di Catanzaro | 2D 3D TSV |
| 20381363 | 13 | In vitro TRPV1 activity of piperine derived amides. |
Bioorg Med Chem 18: 3299-306 (2010) | Universidad de Antioquia | 2D 3D TSV |
| 20381362 | 8 | Design of pentapeptidic BACE1 inhibitors with carboxylic acid bioisosteres at P1' and P4 positions. |
Bioorg Med Chem 18: 3175-86 (2010) | Kyoto Pharmaceutical University | 2D 3D TSV |
| 20381361 | 43 | Structure-activity relationships of bioisosteric replacement of the carboxylic acid in novel androgen receptor pure antagonists. |
Bioorg Med Chem 18: 3159-68 (2010) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
| 20381359 | 17 | Synthesis and biological activity of cyclotetrapeptide analogues of the natural HDAC inhibitor FR235222. |
Bioorg Med Chem 18: 3252-60 (2010) | Universit£ degli Studi di Salerno | 2D 3D TSV |
| 20380423 | 1 | KDR Kinase Inhibitor Isolated from the Mushroom Boletopsis leucomelas. |
J Nat Prod 73: 1002-4 (2010) | Meiji Pharmaceutical University | 2D 3D TSV |
| 20380377 | 70 | Discovery of novel and potent leukotriene B4 receptor antagonists. Part 1. |
J Med Chem 53: 3502-16 (2010) | Roche Research Center | 2D 3D TSV |
| 20378363 | 135 | Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent beta-secretase inhibitory leads. |
Bioorg Med Chem 18: 3088-115 (2010) | Applied Science University | 2D 3D TSV |
| 20378362 | 20 | 3'-(1,2,3-Triazol-1-yl)-3'-deoxythymidine analogs as substrates for human and Ureaplasma parvum thymidine kinase for structure-activity investigations. |
Bioorg Med Chem 18: 3261-9 (2010) | Swedish University Agricultural Sciences | 2D 3D TSV |
| 20378348 | 21 | Water-soluble PDE4 inhibitors for the treatment of dry eye. |
Bioorg Med Chem Lett 20: 2928-32 (2010) | Kalypsys Inc | 2D 3D TSV |
| 20378347 | 27 | Heterocyclic cycloalkanol ethylamines as norepinephrine reuptake inhibitors. |
Bioorg Med Chem Lett 20: 2809-12 (2010) | Wyeth Research | 2D 3D TSV |
| 20378346 | 25 | Synthesis and biological activity of 2H-quinolizin-2-one based p38alpha MAP kinase inhibitors. |
Bioorg Med Chem Lett 20: 2765-9 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20378345 | 72 | (-)-Menthylamine derivatives as potent and selective antagonists of transient receptor potential melastatin type-8 (TRPM8) channels. |
Bioorg Med Chem Lett 20: 2729-32 (2010) | Sapienza University of Rome | 2D 3D TSV |
| 20373765 | 10 | Pyrazolylthiazole as DeltaF508-cystic fibrosis transmembrane conductance regulator correctors with improved hydrophilicity compared to bithiazoles. |
J Med Chem 53: 3772-81 (2010) | University of California Davis | 2D 3D TSV |
| 20373302 | 5 | The identification of a novel natural activator of p300 histone acetyltranferase provides new insights into the modulation mechanism of this enzyme. |
Chembiochem 11: 818-27 (2010) | Universitá degli Studi di Salerno | 2D 3D TSV |
| 20371182 | 30 | Synthesis and biological evaluation of novel C5 halogen-functionalized S-DABO as potent HIV-1 non-nucleoside reverse transcriptase inhibitors. |
Bioorg Med Chem 18: 3231-7 (2010) | Peking University | 2D 3D TSV |
| 20371180 | 122 | Cytotoxicity and inhibition of DNA topoisomerase I of polyhydroxylated triterpenoids and triterpenoid glycosides. |
Bioorg Med Chem Lett 20: 2790-6 (2010) | Stephen F. Austin State University | 2D 3D TSV |
| 20371179 | 37 | Discovery of novel leukotriene A4 hydrolase inhibitors based on piperidine and piperazine scaffolds. |
Bioorg Med Chem Lett 20: 2851-4 (2010) | deCODE Chemistry Inc | 2D 3D TSV |
| 20371178 | 72 | Synthesis of 7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-ylamine and its analogs as bombesin receptor subtype-3 agonists. |
Bioorg Med Chem Lett 20: 2785-9 (2010) | AMRI | 2D 3D TSV |
| 20371139 | 16 | Synthesis and pharmacological evaluation of novel substituted 9-deazaxanthines as A2B receptor antagonists. |
Eur J Med Chem 45: 2884-92 (2010) | Universidade de A Coru£a | 2D 3D TSV |
| 20369879 | 21 | Bradykinin B1 receptor antagonists as potential therapeutic agents for pain. |
J Med Chem 53: 5383-99 (2010) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 20364863 | 30 | Evolution of poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors. From concept to clinic. |
J Med Chem 53: 4561-84 (2010) | Johns Hopkins University Brain Science Institute | 2D 3D TSV |
| 20363638 | 3 | Sugar-based peptidomimetics as potential inhibitors of the vascular endothelium growth factor binding to neuropilin-1. |
Bioorg Med Chem 18: 3285-98 (2010) | Nancy Universit£-CNRS | 2D 3D TSV |
| 20363636 | 44 | Prenylated pterocarpans as bacterial neuraminidase inhibitors. |
Bioorg Med Chem 18: 3335-44 (2010) | Chosun University | 2D 3D TSV |
| 20363635 | 10 | Identification of serotonin 5-HT1A receptor partial agonists in ginger. |
Bioorg Med Chem 18: 3345-51 (2010) | Department of Chemistry and Applied Biosciences | 2D 3D TSV |
| 20363633 | 67 | Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation. |
Bioorg Med Chem 18: 3307-19 (2010) | Pfizer Inc | 2D 3D TSV |
| 20363629 | 49 | Discovery and structural optimization of pyrazole derivatives as novel inhibitors of Cdc25B. |
Bioorg Med Chem Lett 20: 2876-9 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20363627 | 56 | Identification and structure-activity relationship of 8-hydroxy-quinoline-7-carboxylic acid derivatives as inhibitors of Pim-1 kinase. |
Bioorg Med Chem Lett 20: 2801-5 (2010) | Universit£ Paris-Sud | 2D 3D TSV |
| 20363625 | 69 | Identification of a novel series of potent RON receptor tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 20: 2745-9 (2010) | MethylGene Inc | 2D 3D TSV |
| 20363624 | 20 | Potent tricyclic pyrazole tetrazole agonists of the nicotinic acid receptor (GPR109a). |
Bioorg Med Chem Lett 20: 2797-800 (2010) | Arena Pharmaceuticals | 2D 3D TSV |
| 20363144 | 4 | Synthesis of a biologically active isomer of kotalanol, a naturally occurring glucosidase inhibitor. |
Bioorg Med Chem 18: 2829-35 (2010) | Simon Fraser University | 2D 3D TSV |
| 20363133 | 67 | Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N'-diaryl urea inhibitors of soluble epoxide hydrolase. |
Bioorg Med Chem Lett 20: 2740-4 (2010) | Ar£te Therapeutics, Inc. | 2D 3D TSV |
| 20363132 | 34 | Probing the cannabinoid CB1/CB2 receptor subtype selectivity limits of 1,2-diarylimidazole-4-carboxamides by fine-tuning their 5-substitution pattern. |
Bioorg Med Chem Lett 20: 2770-5 (2010) | Solvay Pharma | 2D 3D TSV |
| 20363131 | 4 | Design of new dopamine D2 receptor ligands: biosynthesis and pharmacological evaluation of the hydroxylated metabolite of LASSBio-581. |
Bioorg Med Chem Lett 20: 2888-91 (2010) | Universidade Federal de Goi£s | 2D 3D TSV |
| 20363128 | 42 | Optimization of 7-alkene-3-quinolinecarbonitriles as Src kinase inhibitors. |
Bioorg Med Chem Lett 20: 2924-7 (2010) | Wyeth Research | 2D 3D TSV |
| 20363126 | 50 | The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors. |
Bioorg Med Chem Lett 20: 2897-902 (2010) | Pfizer Inc | 2D 3D TSV |
| 20361801 | 100 | Bivalent beta-carbolines as potential multitarget anti-Alzheimer agents. |
J Med Chem 53: 3611-7 (2010) | Friedrich-Schiller-Universitat Jena | 2D 3D TSV |
| 20361800 | 22 | 5,5'-substituted indirubin-3'-oxime derivatives as potent cyclin-dependent kinase inhibitors with anticancer activity. |
J Med Chem 53: 3696-706 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 20359891 | 13 | A prodrug approach towards the development of tricyclic-based FBPase inhibitors. |
Bioorg Med Chem Lett 20: 2938-41 (2010) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 20359225 | 39 | Targeting multiple chorismate-utilizing enzymes with a single inhibitor: validation of a three-stage design. |
J Med Chem 53: 3718-29 (2010) | University of California | 2D 3D TSV |
| 20356741 | 1 | Synthesis and anti-tumor activities of methyl 2-O-aryl-6-O-aryl'-D-glucopyranosides. |
Bioorg Med Chem Lett 20: 2855-8 (2010) | Ocean University of China | 2D 3D TSV |
| 20356739 | 18 | Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2. |
Bioorg Med Chem Lett 20: 2832-6 (2010) | the University of Manchester and Manchester Cancer Research Center | 2D 3D TSV |
| 20356736 | 48 | Synthesis and structure-activity relationships of 2-aryl-4-oxazolylmethoxy benzylglycines and 2-aryl-4-thiazolylmethoxy benzylglycines as novel, potent PPARalpha selective activators- PPARalpha and PPARgamma selectivity modulation. |
Bioorg Med Chem Lett 20: 2933-7 (2010) | Bristol-Myers Squibb R & D | 2D 3D TSV |
| 20356655 | 24 | Novel benzimidazole-pyrimidine conjugates as potent antitumor agents. |
Eur J Med Chem 45: 2336-44 (2010) | National Research Centre | 2D 3D TSV |
| 20356305 | 151 | Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents. |
J Med Chem 53: 5085-107 (2010) | Ferrara University | 2D 3D TSV |
| 20356304 | 9 | alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) antagonists: from bench to bedside. |
J Med Chem 53: 5367-82 (2010) | Novartis Pharma AG | 2D 3D TSV |
| 20356098 | 23 | A novel class of antihyperlipidemic agents with low density lipoprotein receptor up-regulation via the adaptor protein autosomal recessive hypercholesterolemia. |
J Med Chem 53: 3284-95 (2010) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
| 20355714 | 26 | Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor. |
J Med Chem 53: 3517-31 (2010) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 20355713 | 3 | Imaging progesterone receptor in breast tumors: synthesis and receptor binding affinity of fluoroalkyl-substituted analogues of tanaproget. |
J Med Chem 53: 3349-60 (2010) | University of Illinois | 2D 3D TSV |
| 20355712 | 18 | Novel 4-(piperidin-4-yl)-1-hydroxypyrazoles as gamma-aminobutyric acid(A) receptor ligands: synthesis, pharmacology, and structure-activity relationships. |
J Med Chem 53: 3417-21 (2010) | University of Copenhagen | 2D 3D TSV |
| 20353344 | 12 | Design, synthesis and anticholinesterase activity of some new a-aminobisphosphonates. |
J Enzyme Inhib Med Chem 25: 827-35 (2010) | Tarbiat Modares University | 2D 3D TSV |
| 20353152 | 1 | A series of alpha-heterocyclic carboxaldehyde thiosemicarbazones inhibit topoisomerase IIalpha catalytic activity. |
J Med Chem 53: 3048-64 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20350951 | 4 | Preclinical evaluation of the antifolate QN254, 5-chloro- N'6'-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine, as an antimalarial drug candidate. |
Antimicrob Agents Chemother 54: 2603-10 (2010) | Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program | 2D 3D TSV |
| 20350811 | 63 | Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones. |
Bioorg Med Chem 18: 2849-63 (2010) | King Saud University | 2D 3D TSV |
| 20350808 | 36 | Bivalent 5,8,9,13b-tetrahydro-6H-isoquino[1,2-a]isoquinolines and -isoquinolinium salts: novel heterocyclic templates for butyrylcholinesterase inhibitors. |
Bioorg Med Chem Lett 20: 2946-9 (2010) | Friedrich-Schiller-Universit£t Jena | 2D 3D TSV |
| 20350807 | 7 | Molecular modelling, synthesis and acetylcholinesterase inhibition of ethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate. |
Bioorg Med Chem Lett 20: 2950-3 (2010) | Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) | 2D 3D TSV |
| 20350806 | 1 | Inhibition of gamma-secretase by the CK1 inhibitor IC261 does not depend on CK1delta. |
Bioorg Med Chem Lett 20: 2958-63 (2010) | Technische Universit£t Darmstadt | 2D 3D TSV |
| 20350805 | 1 | A rapid oxime linker-based library approach to identification of bivalent inhibitors of the Yersinia pestis protein-tyrosine phosphatase, YopH. |
Bioorg Med Chem Lett 20: 2813-6 (2010) | National Cancer Institute-Frederick | 2D 3D TSV |
| 20350005 | 45 | Identification of phenylsulfone-substituted quinoxaline (WYE-672) as a tissue selective liver X-receptor (LXR) agonist. |
J Med Chem 53: 3296-304 (2010) | Wyeth Pharmaceuticals | 2D 3D TSV |
| 20349977 | 36 | Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors. |
J Med Chem 53: 3095-105 (2010) | The University of Memphis | 2D 3D TSV |
| 20349953 | 49 | Solution phase parallel synthesis of substituted 3-phenylsulfonyl-[1,2,3]triazolo[1,5-a]quinazolines: selective serotonin 5-HT(6) receptor antagonists. |
J Comb Chem 12: 445-52 (2010) | Chemical Diversity Research Institute | 2D 3D TSV |
| 20347594 | 7 | Truxillic acid derivatives act as peroxisome proliferator-activated receptor gamma activators. |
Bioorg Med Chem Lett 20: 2920-3 (2010) | Goethe-University Frankfurt | 2D 3D TSV |
| 20347593 | 76 | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization. |
Bioorg Med Chem Lett 20: 2837-42 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20347318 | 49 | New aromatic monoesters of alpha-aminoaralkylphosphonic acids as inhibitors of aminopeptidase N/CD13. |
Bioorg Med Chem 18: 2930-6 (2010) | Wroclaw University of Technology | 2D 3D TSV |
| 20347317 | 6 | Synthesis and structure-activity relationship studies of peptidomimetic PKB/Akt inhibitors: the significance of backbone interactions. |
Bioorg Med Chem 18: 2976-85 (2010) | The Hebrew University of Jerusalem | 2D 3D TSV |
| 20347304 | 68 | Methylene amine substituted arylindenopyrimidines as potent adenosine A(2A)/A(1) antagonists. |
Bioorg Med Chem Lett 20: 2864-7 (2010) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 20347302 | 19 | Peripheral site acetylcholinesterase inhibitors targeting both inflammation and cholinergic dysfunction. |
Bioorg Med Chem Lett 20: 2987-90 (2010) | Lehigh University | 2D 3D TSV |
| 20347301 | 32 | New 5-HT(1A) receptor ligands containing a N'-cyanoisonicotinamidine nucleus: synthesis and in vitro pharmacological evaluation. |
Bioorg Med Chem Lett 20: 2978-82 (2010) | Universit£ di Napoli Federico II | 2D 3D TSV |
| 20347298 | 28 | Potent dihydroquinolinone dopamine D2 partial agonist/serotonin reuptake inhibitors for the treatment of schizophrenia. |
Bioorg Med Chem Lett 20: 2983-6 (2010) | Wyeth Research | 2D 3D TSV |
| 20347297 | 61 | The discovery and structure-activity relationships of 2-(piperidin-3-yl)-1H-benzimidazoles as selective, CNS penetrating H1-antihistamines for insomnia. |
Bioorg Med Chem Lett 20: 2916-9 (2010) | Neurocrine Biosciences Inc | 2D 3D TSV |
| 20347296 | 49 | Synthesis and SAR of heterocyclic carboxylic acid isosteres based on 2-biarylethylimidazole as bombesin receptor subtype-3 (BRS-3) agonists for the treatment of obesity. |
Bioorg Med Chem Lett 20: 2912-5 (2010) | AMRI | 2D 3D TSV |
| 20347295 | 15 | Synthesis and biological evaluation of novel 2-arylalkylthio-4-amino-6-benzyl pyrimidines as potent HIV-1 non-nucleoside reverse transcriptase inhibitors. |
Bioorg Med Chem Lett 20: 3003-5 (2010) | Capital Medical University | 2D 3D TSV |
| 20347189 | 7 | Efficient synthesis and identification of novel propane-1,3-diamino bridged CCR5 antagonists with variation on the basic center carrier. |
Eur J Med Chem 45: 2827-40 (2010) | Institute of Materia Medica | 2D 3D TSV |
| 20346682 | 7 | Ircinialactams: subunit-selective glycine receptor modulators from Australian sponges of the family Irciniidae. |
Bioorg Med Chem 18: 2912-9 (2010) | The University of Queensland | 2D 3D TSV |
| 20346665 | 30 | A-ring modifications on the triazafluorenone core structure and their mGluR1 antagonist properties. |
Bioorg Med Chem Lett 20: 2474-7 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20346664 | 27 | gamma-Lactams as glycinamide replacements in cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists. |
Bioorg Med Chem Lett 20: 2425-30 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20346663 | 76 | Discovery of novel N-acylsulfonamide analogs as potent and selective EP3 receptor antagonists. |
Bioorg Med Chem Lett 20: 2639-43 (2010) | Minase Research Institute | 2D 3D TSV |
| 20346662 | 4 | The development and validation of a novel virtual screening cascade protocol to identify potential serotonin 5-HT(7)R antagonists. |
Bioorg Med Chem Lett 20: 2465-8 (2010) | Polish Academy of Sciences | 2D 3D TSV |
| 20346659 | 48 | Amide-based inhibitors of p38alpha MAP kinase. Part 2: design, synthesis and SAR of potent N-pyrimidyl amides. |
Bioorg Med Chem Lett 20: 2560-3 (2010) | Scios Inc | 2D 3D TSV |
| 20346656 | 25 | Identification of GNE-477, a potent and efficacious dual PI3K/mTOR inhibitor. |
Bioorg Med Chem Lett 20: 2408-11 (2010) | Genentech | 2D 3D TSV |
| 20346655 | 117 | Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases. |
Bioorg Med Chem Lett 20: 2452-5 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20346654 | 16 | Curcumin derivatives inhibit testicular 17beta-hydroxysteroid dehydrogenase 3. |
Bioorg Med Chem Lett 20: 2549-51 (2010) | School of Pharmacy | 2D 3D TSV |
| 20346653 | 14 | Amide-based inhibitors of p38alpha MAP kinase. Part 1: discovery of novel N-pyridyl amide lead molecules. |
Bioorg Med Chem Lett 20: 2556-9 (2010) | Scios Inc | 2D 3D TSV |
| 20345102 | 34 | Discovery of tertiary sulfonamides as potent liver X receptor antagonists. |
J Med Chem 53: 3412-6 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20345101 | 38 | Hybrid ortho/allosteric ligands for the adenosine A(1) receptor. |
J Med Chem 53: 3028-37 (2010) | Leiden University | 2D 3D TSV |
| 20338760 | 72 | Optimization of arylindenopyrimidines as potent adenosine A(2A)/A(1) antagonists. |
Bioorg Med Chem Lett 20: 2868-71 (2010) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 20338758 | 39 | Synthesis and evaluation of alkenyl indazoles as selective Aurora kinase inhibitors. |
Bioorg Med Chem Lett 20: 2443-7 (2010) | S*BIO Pte Ltd | 2D 3D TSV |
| 20338757 | 6 | The effect of the pyridyl nitrogen position in pyridylpiperazine sigma ligands. |
Bioorg Med Chem Lett 20: 2564-5 (2010) | University of Maryland | 2D 3D TSV |
| 20338520 | 24 | A structure-guided approach to creating covalent FGFR inhibitors. |
Chem Biol 17: 285-95 (2010) | Harvard Medical School | 2D 3D TSV |
| 20337495 | 8 | 2-MeS-beta,gamma-CCl2-ATP is a potent agent for reducing intraocular pressure. |
J Med Chem 53: 3305-19 (2010) | Bar-Ilan University | 2D 3D TSV |
| 20337461 | 40 | Removal of sphingosine 1-phosphate receptor-3 (S1P(3)) agonism is essential, but inadequate to obtain immunomodulating 2-aminopropane-1,3-diol S1P(1) agonists with reduced effect on heart rate. |
J Med Chem 53: 3154-68 (2010) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 20337371 | 79 | Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor. |
J Med Chem 53: 3142-53 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20335039 | 1 | Design, synthesis and evaluation of novel 2-thiophen-5-yl-3H-quinazolin-4-one analogues as inhibitors of transcription factors NF-kappaB and AP-1 mediated transcriptional activation: Their possible utilization as anti-inflammatory and anti-cancer agents. |
Bioorg Med Chem 18: 2796-808 (2010) | B.V. Patel Pharmaceutical Education and Research Development Centre | 2D 3D TSV |
| 20335034 | 7 | Discovery of a new series of Aurora inhibitors through truncation of GSK1070916. |
Bioorg Med Chem Lett 20: 2552-5 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20334371 | 20 | Virtual screening for the identification of novel nonsteroidal glucocorticoid modulators. |
J Med Chem 53: 3065-74 (2010) | Trinity College | 2D 3D TSV |
| 20334367 | 78 | Synthesis and SAR of novel 4-morpholinopyrrolopyrimidine derivatives as potent phosphatidylinositol 3-kinase inhibitors. |
J Med Chem 53: 3169-82 (2010) | Wyeth Research | 2D 3D TSV |
| 20329799 | 176 | Discovery of a selective small-molecule melanocortin-4 receptor agonist with efficacy in a pilot study of sexual dysfunction in humans. |
J Med Chem 53: 3183-97 (2010) | Pfizer Inc | 2D 3D TSV |
| 20308384 | 16 | The M230L nonnucleoside reverse transcriptase inhibitor resistance mutation in HIV-1 reverse transcriptase impairs enzymatic function and viral replicative capacity. |
Antimicrob Agents Chemother 54: 2401-8 (2010) | Institute-Jewish General Hospital | 2D 3D TSV |
| 20308379 | 3 | In vitro properties of BAL30072, a novel siderophore sulfactam with activity against multiresistant gram-negative bacilli. |
Antimicrob Agents Chemother 54: 2291-302 (2010) | Basilea Pharmaceutica International Ltd. | 2D 3D TSV |
| 20308072 | 8 | Biochemical characterization of the cellular glycosylphosphatidylinositol-linked membrane type-6 matrix metalloproteinase. |
J Biol Chem 285: 16076-86 (2010) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
| 20307981 | 16 | Rational design of a pirinixic acid derivative that acts as subtype-selective PPARgamma modulator. |
Bioorg Med Chem Lett 20: 2469-73 (2010) | Goethe-University Frankfurt | 2D 3D TSV |
| 20307980 | 22 | B-Raf kinase inhibitors: hit enrichment through scaffold hopping. |
Bioorg Med Chem Lett 20: 2431-4 (2010) | Wyeth Research | 2D 3D TSV |
| 20307065 | 122 | The significance of 2-furyl ring substitution with a 2-(para-substituted) aryl group in a new series of pyrazolo-triazolo-pyrimidines as potent and highly selective hA(3) adenosine receptors antagonists: new insights into structure-affinity relationship and receptor-antagonist recognition. |
J Med Chem 53: 3361-75 (2010) | National University of Singapore | 2D 3D TSV |
| 20307063 | 24 | Discovery of novel 6,6-heterocycles as transient receptor potential vanilloid (TRPV1) antagonists. |
J Med Chem 53: 3330-48 (2010) | Neurogen Corporation | 2D 3D TSV |
| 20304659 | 3 | Conjugates of plumbagin and phenyl-2-amino-1-thioglucoside inhibit MshB, a deacetylase involved in the biosynthesis of mycothiol. |
Bioorg Med Chem 18: 2501-14 (2010) | University of Cape Town | 2D 3D TSV |
| 20304657 | 27 | Synthesis, molecular modeling and biological evaluation of PSB as targeted antibiotics. |
Bioorg Med Chem 18: 2447-55 (2010) | Nanjing University | 2D 3D TSV |
| 20304656 | 31 | Chromene-3-carboxamide derivatives discovered from virtual screening as potent inhibitors of the tumour maker, AKR1B10. |
Bioorg Med Chem 18: 2485-90 (2010) | Gifu Pharmaceutical University | 2D 3D TSV |
| 20304654 | 79 | Synthesis and pharmacological characterization of a new series of 5,7-disubstituted-[1,2,4]triazolo[1,5-a][1,3,5]triazine derivatives as adenosine receptor antagonists: A preliminary inspection of ligand-receptor recognition process. |
Bioorg Med Chem 18: 2524-36 (2010) | National University of Singapore | 2D 3D TSV |
| 20304642 | 41 | Discovery of triarylethanolamine inhibitors of the Kv1.5 potassium channel. |
Bioorg Med Chem Lett 20: 2493-6 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20304639 | 54 | Exploration of amino alcohol derivatives as novel, potent, and highly selective sphingosine-1-phosphate receptor subtype-1 agonists. |
Bioorg Med Chem Lett 20: 2520-4 (2010) | Praecis Pharmaceuticals Inc | 2D 3D TSV |
| 20304535 | 2 | Synthesis and antiproliferative activity of indolizine derivatives incorporating a cyclopropylcarbonyl group against Hep-G2 cancer cell line. |
Eur J Med Chem 45: 3184-90 (2010) | Nanjing University | 2D 3D TSV |
| 20303771 | 24 | Novel 8-(furan-2-yl)-3-substituted thiazolo [5,4-e][1,2,4] triazolo[1,5-c] pyrimidine-2(3H)-thione derivatives as potential adenosine A(2A) receptor antagonists. |
Bioorg Med Chem 18: 2491-500 (2010) | University of Delhi | 2D 3D TSV |
| 20303767 | 5 | Assessing the trypanocidal potential of natural and semi-synthetic diketopiperazines from two deep water marine-derived fungi. |
Bioorg Med Chem 18: 2566-74 (2010) | University of California Santa Cruz | 2D 3D TSV |
| 20303752 | 143 | 1,7-Disubstituted oxyindoles are potent and selective EP(3) receptor antagonists. |
Bioorg Med Chem Lett 20: 2658-64 (2010) | deCODE Chemistry | 2D 3D TSV |
| 20303751 | 4 | Conformationally-restricted amino acid analogues bearing a distal sulfonic acid show selective inhibition of system x(c)(-) over the vesicular glutamate transporter. |
Bioorg Med Chem Lett 20: 2680-3 (2010) | The University of Montana | 2D 3D TSV |
| 20303626 | 33 | Design and synthesis of 1,4-dihydropyridine derivatives as BACE-1 inhibitors. |
Eur J Med Chem 45: 2578-90 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 20303263 | 87 | Novel benzofuran-3-one indole inhibitors of PI3 kinase-alpha and the mammalian target of rapamycin: hit to lead studies. |
Bioorg Med Chem Lett 20: 2586-90 (2010) | Wyeth Research | 2D 3D TSV |
| 20302302 | 40 | (1S)-1,5-anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (TS-071) is a potent, selective sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor for type 2 diabetes treatment. |
J Med Chem 53: 3247-61 (2010) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 20302301 | 2 | Structure-activity relationships in toll-like receptor-2 agonistic diacylthioglycerol lipopeptides. |
J Med Chem 53: 3198-213 (2010) | University of Kansas | 2D 3D TSV |
| 20299227 | 5 | Synthesis and preliminary pharmacological characterisation of a new class of nitrogen-containing bisphosphonates (N-BPs). |
Bioorg Med Chem 18: 2428-38 (2010) | Universit£ degli Studi di Torino | 2D 3D TSV |
| 20299220 | 4 | 4,7-Dichloro benzothien-2-yl sulfonylaminomethyl boronic acid: first boronic acid-derived beta-lactamase inhibitor with class A, C, and D activity. |
Bioorg Med Chem Lett 20: 2622-4 (2010) | Merck & Co. | 2D 3D TSV |
| 20299219 | 32 | Carbonic anhydrase inhibitors. The beta-carbonic anhydrases from the fungal pathogens Cryptococcus neoformans and Candida albicans are strongly inhibited by substituted-phenyl-1H-indole-5-sulfonamides. |
Bioorg Med Chem Lett 20: 2508-11 (2010) | Istanbul University | 2D 3D TSV |
| 20299218 | 52 | Identification of potent, highly constrained CGRP receptor antagonists. |
Bioorg Med Chem Lett 20: 2572-6 (2010) | Merck & Co. | 2D 3D TSV |
| 20299216 | 46 | Benzyl prolinate derivatives as novel selective KCC2 blockers. |
Bioorg Med Chem Lett 20: 2542-5 (2010) | UCB Pharma SA | 2D 3D TSV |
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Bioorg Med Chem Lett 20: 1918-23 (2010) | Northeastern Ohio Universities Colleges of Medicine and Pharmacy | 2D 3D TSV |
| 20176482 | 42 | SAR of tertiary carbinamine derived BACE1 inhibitors: role of aspartate ligand amine pKa in enzyme inhibition. |
Bioorg Med Chem Lett 20: 1885-9 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20176481 | 15 | Evaluation of a 4-aminopiperidine replacement in several series of CCR5 antagonists. |
Bioorg Med Chem Lett 20: 1830-3 (2010) | Roche Palo Alto | 2D 3D TSV |
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Bioorg Med Chem Lett 20: 1890-4 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
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J Med Chem 53: 2472-81 (2010) | Bar-Ilan University | 2D 3D TSV |
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Bioorg Med Chem Lett 20: 1924-7 (2010) | Universit£ de Montr£al | 2D 3D TSV |
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Bioorg Med Chem 18: 1761-72 (2010) | Shandong University | 2D 3D TSV |
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Bioorg Med Chem 18: 1749-60 (2010) | University of Bologna | 2D 3D TSV |
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J Med Chem 53: 2364-75 (2010) | Universidade Federal do Rio de Janeiro | 2D 3D TSV |
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J Med Chem 53: 2534-51 (2010) | GlaxoSmithKline | 2D 3D TSV |
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J Med Chem 53: 2651-5 (2010) | The University of Queensland | 2D 3D TSV |
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J Med Chem 53: 2433-42 (2010) | Technische Universitat Braunschweig | 2D 3D TSV |
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J Med Chem 53: 2482-93 (2010) | Indiana University School of Medicine | 2D 3D TSV |
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Bioorg Med Chem Lett 20: 1990-3 (2010) | University of Calabria | 2D 3D TSV |
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Eur J Med Chem 45: 1453-8 (2010) | University College of Pharmaceutical Sciences | 2D 3D TSV |
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J Med Chem 53: 2227-38 (2010) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
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J Nat Prod 73: 712-5 (2010) | Florida Atlantic University | 2D 3D TSV |
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J Med Chem 53: 2094-103 (2010) | China Pharmaceutical University | 2D 3D TSV |
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J Med Chem 53: 2204-14 (2010) | Research Triangle Institute | 2D 3D TSV |
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J Med Chem 53: 2314-8 (2010) | Institute of Chemical and Engineering Sciences | 2D 3D TSV |
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Bioorg Med Chem 18: 1918-24 (2010) | Human BioMolecular Research Institute | 2D 3D TSV |
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Eur J Med Chem 45: 2089-94 (2010) | Peking University | 2D 3D TSV |
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Eur J Med Chem 45: 1560-71 (2010) | Meerut Institute of Engineering and Technology | 2D 3D TSV |
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J Med Chem 53: 2239-49 (2010) | The Institute of Cancer Research | 2D 3D TSV |
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J Med Chem 53: 2215-26 (2010) | Domainex Ltd | 2D 3D TSV |
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J Med Chem 53: 2038-50 (2010) | Universit£ degli Studi di Parma | 2D 3D TSV |
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J Med Chem 53: 2104-13 (2010) | McGill University Health Center/Royal Victoria Hospital | 2D 3D TSV |
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Bioorg Med Chem 18: 2049-59 (2010) | Ege University | 2D 3D TSV |
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Bioorg Med Chem 18: 1891-8 (2010) | University of Quebec at Trois-Rivieres | 2D 3D TSV |
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J Med Chem 53: 1964-78 (2010) | The Institute of Cancer Research | 2D 3D TSV |
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J Med Chem 53: 2126-35 (2010) | The State University of New York | 2D 3D TSV |
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J Med Chem 53: 2076-86 (2010) | University of Bonn | 2D 3D TSV |
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J Med Chem 53: 2114-25 (2010) | Wayne State University | 2D 3D TSV |
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J Med Chem 53: 2324-8 (2010) | University of Warwick | 2D 3D TSV |
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J Med Chem 53: 2063-75 (2010) | Universite de Sherbrooke | 2D 3D TSV |
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J Med Chem 53: 2136-45 (2010) | University of St. Andrews | 2D 3D TSV |
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Bioorg Med Chem Lett 20: 1504-6 (2010) | Vilnius University | 2D 3D TSV |
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Bioorg Med Chem Lett 20: 1712-7 (2010) | The University of Tokyo | 2D 3D TSV |
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J Med Chem 53: 1937-50 (2010) | UMR CNRS 6026-Universit£ Rennes 1 | 2D 3D TSV |
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J Med Chem 53: 1923-36 (2010) | Arena Pharmaceuticals Inc | 2D 3D TSV |
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J Med Chem 53: 2000-9 (2010) | Curis Inc | 2D 3D TSV |
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Bioorg Med Chem 18: 2037-48 (2010) | University of Minnesota | 2D 3D TSV |
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| 20061068 | 9 | Synthesis, structure and affinity of novel 3-alkoxy-1,2-dihydro-3H-1,4-benzodiazepin-2-ones for CNS central and peripheral benzodiazepine receptors. |
Eur J Med Chem 45: 1346-51 (2010) | Institute of the National Academy of Sciences of Ukraine | 2D 3D TSV |
| 20060623 | 30 | Synthesis and pharmacological evaluation of new 5-(cyclo)alkyl-5-phenyl- and 5-spiroimidazolidine-2,4-dione derivatives. Novel 5-HT1A receptor agonist with potential antidepressant and anxiolytic activity. |
Eur J Med Chem 45: 1295-303 (2010) | Jagiellonian University Medical College | 2D 3D TSV |
| 20060622 | 23 | Design, synthesis and evaluation of analogs of initiation factor 4E (eIF4E) cap-binding antagonist Bn7-GMP. |
Eur J Med Chem 45: 1304-13 (2010) | University of Minnesota | 2D 3D TSV |
| 20060304 | 9 | beta-Naphthoflavone analogs as potent and soluble aryl hydrocarbon receptor agonists: improvement of solubility by disruption of molecular planarity. |
Bioorg Med Chem 18: 1194-203 (2010) | The University of Tokyo | 2D 3D TSV |
| 20060294 | 21 | Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy. |
Bioorg Med Chem Lett 20: 1293-7 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20058865 | 59 | Inhibitors of prolyl oligopeptidases for the therapy of human diseases: defining diseases and inhibitors. |
J Med Chem 53: 3423-38 (2010) | McGill University | 2D 3D TSV |
| 20056549 | 12 | Discovery of 3-(4-bromophenyl)-6-nitrobenzo[1.3.2]dithiazolium ylide 1,1-dioxide as a novel dual cyclooxygenase/5-lipoxygenase inhibitor that also inhibits tumor necrosis factor-alpha production. |
Bioorg Med Chem 18: 597-604 (2010) | National Taiwan University | 2D 3D TSV |
| 20056548 | 4 | Synthesis, in vitro structure-activity relationship, and in vivo studies of 2-arylthiazolidine-4-carboxylic acid amides as anticancer agents. |
Bioorg Med Chem 18: 477-95 (2010) | University of Tennessee Health Science Center | 2D 3D TSV |
| 20056546 | 100 | 2,4-Diamino-5-methyl-6-substituted arylthio-furo[2,3-d]pyrimidines as novel classical and nonclassical antifolates as potential dual thymidylate synthase and dihydrofolate reductase inhibitors. |
Bioorg Med Chem 18: 953-61 (2010) | Duquesne University | 2D 3D TSV |
| 20056544 | 50 | The effect of backbone cyclization on PK/PD properties of bioactive peptide-peptoid hybrids: the melanocortin agonist paradigm. |
Bioorg Med Chem 18: 580-9 (2010) | The Hebrew University of Jerusalem | 2D 3D TSV |
| 20056543 | 2 | Anti-invasive and anti-angiogenic activities of naturally occurring dibenzodiazepine BU-4664L and its derivatives. |
Bioorg Med Chem Lett 20: 963-5 (2010) | Toyama Prefectural University | 2D 3D TSV |
| 20056541 | 83 | Piperidine-derived gamma-secretase modulators. |
Bioorg Med Chem Lett 20: 1306-11 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20056540 | 30 | Novel bis-arylsulfonamides and aryl sulfonimides as inactivators of plasminogen activator inhibitor-1 (PAI-1). |
Bioorg Med Chem Lett 20: 966-70 (2010) | Eastern Michigan University | 2D 3D TSV |
| 20056539 | 14 | Investigation of Beckett-Casy model 1: synthesis of novel 16,17-seco-naltrexone derivatives and their pharmacology. |
Bioorg Med Chem Lett 20: 1055-8 (2010) | Kitasato University | 2D 3D TSV |
| 20056426 | 38 | Synthesis, biological evaluation, and molecular modeling of berberine derivatives as potent acetylcholinesterase inhibitors. |
Bioorg Med Chem 18: 1244-51 (2010) | Sun Yat-sen University | 2D 3D TSV |
| 20056425 | 21 | Design, synthesis and biological evaluation of chrysin long-chain derivatives as potential anticancer agents. |
Bioorg Med Chem 18: 1117-23 (2010) | Nanjing University | 2D 3D TSV |
| 20055495 | 14 | Discorhabdins from the Korean marine sponge Sceptrella sp. |
J Nat Prod 73: 258-62 (2010) | Seoul National University | 2D 3D TSV |
| 20055453 | 80 | Rational design of indoleamine 2,3-dioxygenase inhibitors. |
J Med Chem 53: 1172-89 (2010) | Institute for Cancer Research | 2D 3D TSV |
| 20055427 | 98 | Fructose-1,6-bisphosphatase Inhibitors. 2. Design, synthesis, and structure-activity relationship of a series of phosphonic acid containing benzimidazoles that function as 5'-adenosinemonophosphate (AMP) mimics. |
J Med Chem 53: 441-51 (2010) | Metabasis Therapeutics Inc | 2D 3D TSV |
| 20055426 | 30 | Antiangiogenic effect of dual/selective alpha(5)beta(1)/alpha(v)beta(3) integrin antagonists designed on partially modified retro-inverso cyclotetrapeptide mimetics. |
J Med Chem 53: 106-18 (2010) | Universita degli Studi di Bologna | 2D 3D TSV |
| 20055425 | 29 | Heat shock protein 90: inhibitors in clinical trials. |
J Med Chem 53: 3-17 (2010) | Biogen Idec Inc | 2D 3D TSV |
| 20055418 | 78 | Synthesis and biological evaluation of triazol-4-ylphenyl-bearing histone deacetylase inhibitors as anticancer agents. |
J Med Chem 53: 1347-56 (2010) | University of Illinois at Chicago | 2D 3D TSV |
| 20055417 | 62 | Synthesis and opioid activity of enantiomeric N-substituted 2,3,4,4a,5,6,7,7a-octahydro-1H-benzofuro[3,2-e]isoquinolines. |
J Med Chem 53: 1392-6 (2010) | National Taiwan University | 2D 3D TSV |
| 20055416 | 29 | Novel oxadiazole analogues derived from ethacrynic acid: design, synthesis, and structure-activity relationships in inhibiting the activity of glutathione S-transferase P1-1 and cancer cell proliferation. |
J Med Chem 53: 1015-22 (2010) | Shandong University | 2D 3D TSV |
| 20053779 | 5 | Preclinical in vivo evaluation of efficacy, pharmacokinetics, and pharmacodynamics of a novel MEK1/2 kinase inhibitor RO5068760 in multiple tumor models. |
Mol Cancer Ther 9: 134-44 (2010) | Hoffmann-La Roche Inc | 2D 3D TSV |
| 20053563 | 10 | Identification of potential and selective collagenase, gelatinase inhibitors from Crataegus pinnatifida. |
Bioorg Med Chem Lett 20: 991-3 (2010) | Wonkwang University Sanbon Medical Center | 2D 3D TSV |
| 20053561 | 141 | Potent transglutaminase inhibitors, aryl beta-aminoethyl ketones. |
Bioorg Med Chem Lett 20: 1141-4 (2010) | Institute of Physical and Chemical Research (RIKEN) | 2D 3D TSV |
| 20053559 | 55 | Design, synthesis, and evaluation of 2-aryl-7-(3',4'-dialkoxyphenyl)-pyrazolo[1,5-a]pyrimidines as novel PDE-4 inhibitors. |
Bioorg Med Chem Lett 20: 922-6 (2010) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 20053558 | 17 | Structural diversity of nucleoside phosphonic acids as a key factor in the discovery of potent inhibitors of rat T-cell lymphoma thymidine phosphorylase. |
Bioorg Med Chem Lett 20: 862-5 (2010) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 20053484 | 417 | Prediction of acetylcholinesterase inhibitors and characterization of correlative molecular descriptors by machine learning methods. |
Eur J Med Chem 45: 1167-72 (2010) | Sichuan University | 2D 3D TSV |
| 20050669 | 61 | Discovery of (thienopyrimidin-2-yl)aminopyrimidines as potent, selective, and orally available pan-PI3-kinase and dual pan-PI3-kinase/mTOR inhibitors for the treatment of cancer. |
J Med Chem 53: 1086-97 (2010) | Genentech | 2D 3D TSV |
| 20047779 | 86 | Discovery of benzhydrylpiperazine derivatives as CB1 receptor inverse agonists via privileged structure-based approach. |
Eur J Med Chem 45: 1133-9 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20047331 | 30 | Design, synthesis, biological properties, and molecular modeling investigations of novel tacrine derivatives with a combination of acetylcholinesterase inhibition and cannabinoid CB1 receptor antagonism. |
J Med Chem 53: 1338-46 (2010) | Solvay Pharma | 2D 3D TSV |
| 20047280 | 174 | Novel synthesis of the hexahydroimidazo[1,5b]isoquinoline scaffold: application to the synthesis of glucocorticoid receptor modulators. |
J Med Chem 53: 1270-80 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20047277 | 3 | 2,4,6-trisubstituted triazines as protein a mimetics for the treatment of autoimmune diseases. |
J Med Chem 53: 1138-45 (2010) | ProMetic BioSciences Inc. | 2D 3D TSV |
| 20045650 | 56 | A new series of flavones, thioflavones, and flavanones as selective monoamine oxidase-B inhibitors. |
Bioorg Med Chem 18: 1273-9 (2010) | Sapienza University of Rome | 2D 3D TSV |
| 20045649 | 5 | Synthesis and structural and pharmacological properties of cyclopropane-based conformationally restricted analogs of 4-methylhistamine as histamine H3/H4 receptor ligands. |
Bioorg Med Chem 18: 1076-82 (2010) | Hokkaido University | 2D 3D TSV |
| 20045648 | 39 | Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors. |
Bioorg Med Chem 18: 630-9 (2010) | Wyeth Research | 2D 3D TSV |
| 20045647 | 35 | Synthesis and optimization of thiadiazole derivatives as a novel class of substrate competitive c-Jun N-terminal kinase inhibitors. |
Bioorg Med Chem 18: 590-6 (2010) | Institute for Medical Research | 2D 3D TSV |
| 20045646 | 11 | New iodinated quinoline-2-carboxamides for SPECT imaging of the translocator protein. |
Bioorg Med Chem Lett 20: 954-7 (2010) | University of Glasgow | 2D 3D TSV |
| 20045645 | 66 | Discovery and optimization of RO-85, a novel drug-like, potent, and selective P2X3 receptor antagonist. |
Bioorg Med Chem Lett 20: 1031-6 (2010) | Roche Palo Alto | 2D 3D TSV |
| 20045644 | 32 | Polar 3-alkylidene-5-pivaloyloxymethyl-5'-hydroxymethyl-gamma-lactones as protein kinase C ligands and antitumor agents. |
Bioorg Med Chem Lett 20: 1008-12 (2010) | Seoul National University | 2D 3D TSV |
| 20045641 | 9 | 9-Aminomethyl-9,10-dihydroanthracene (AMDA) analogs as structural probes for steric tolerance in 5-HT2A and H1 receptor binding sites. |
Bioorg Med Chem Lett 20: 935-8 (2010) | Virginia Commonwealth University | 2D 3D TSV |
| 20045640 | 19 | Synthesis, antimalarial and antitubercular activity of acetylenic chalcones. |
Bioorg Med Chem Lett 20: 942-4 (2010) | University of Cape Town | 2D 3D TSV |
| 20045638 | 19 | Structure-based drug design of tricyclic 8H-indeno[1,2-d][1,3]thiazoles as potent FBPase inhibitors. |
Bioorg Med Chem Lett 20: 1004-7 (2010) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 20045339 | 16 | Design, synthesis and SAR analysis of novel selective sigma1 ligands (Part 2). |
Bioorg Med Chem 18: 1204-12 (2010) | University of Pavia | 2D 3D TSV |
| 20045337 | 117 | Synthesis and structure-activity relationship of 1,2,4-triazole-containing diarylpyrazolyl carboxamide as CB1 cannabinoid receptor-ligand. |
Bioorg Med Chem 18: 1149-62 (2010) | Green Cross Corporation | 2D 3D TSV |
| 20045321 | 85 | An octahydro-cyclopenta[c]pyrrole series of inhibitors of the type 1 glycine transporter. |
Bioorg Med Chem Lett 20: 907-11 (2010) | Pfizer Inc | 2D 3D TSV |
| 20045320 | 14 | Phenylacetic acid regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: evaluation as dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity. |
Bioorg Med Chem Lett 20: 896-902 (2010) | University of Alberta | 2D 3D TSV |
| 20045318 | 18 | Discovery of cyclicsulfonamide derivatives as 11beta-hydroxysteroid dehydrogenase 1 inhibitors. |
Bioorg Med Chem Lett 20: 1065-9 (2010) | Korea University | 2D 3D TSV |
| 20045316 | 18 | Bicyclic peptides as potent inhibitors of histone deacetylases: optimization of alkyl loop length. |
Bioorg Med Chem Lett 20: 997-9 (2010) | Graduate School of Life Science and Systems Engineering | 2D 3D TSV |
| 20045315 | 26 | Discovery and SAR of substituted 3-oxoisoindoline-4-carboxamides as potent inhibitors of poly(ADP-ribose) polymerase (PARP) for the treatment of cancer. |
Bioorg Med Chem Lett 20: 1023-6 (2010) | Abbott Laboratories | 2D 3D TSV |
| 20045222 | 40 | Design, synthesis, and biological evaluation of novel pyrimidine derivatives as CDK2 inhibitors. |
Eur J Med Chem 45: 1158-66 (2010) | National Organization for Drug Control & Research | 2D 3D TSV |
| 20044255 | 5 | Inhibition of IKK-beta: a new development in the mechanism of the anti-obesity effects of PTP1B inhibitors SA18 and SA32. |
Bioorg Med Chem Lett 20: 1075-7 (2010) | Inha University | 2D 3D TSV |
| 20044254 | 14 | Side chain SAR of bicyclic beta-lactamase inhibitors (BLIs). 1. Discovery of a class C BLI for combination with imipinem. |
Bioorg Med Chem Lett 20: 918-21 (2010) | Merck Research Labs | 2D 3D TSV |
| 20043700 | 5 | Application of fragment-based NMR screening, X-ray crystallography, structure-based design, and focused chemical library design to identify novel microM leads for the development of nM BACE-1 (beta-site APP cleaving enzyme 1) inhibitors. |
J Med Chem 53: 942-50 (2010) | Schering-Plough Research Institute | 2D 3D TSV |
| 20043696 | 17 | Discovery of cyclic acylguanidines as highly potent and selective beta-site amyloid cleaving enzyme (BACE) inhibitors: Part I--inhibitor design and validation. |
J Med Chem 53: 951-65 (2010) | Schering-Plough Research Institute | 2D 3D TSV |
| 20043680 | 49 | Urotensin-II receptor modulators as potential drugs. |
J Med Chem 53: 2695-708 (2010) | Johnson & Johnson Pharmaceutical Research & Development | 2D 3D TSV |
| 20043678 | 92 | Discovery of 4-(5-methyloxazolo[4,5-b]pyridin-2-yl)-1,4-diazabicyclo[3.2.2]nonane (CP-810,123), a novel alpha 7 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders in schizophrenia: synthesis, SAR development, and in vivo efficacy in cognition models. |
J Med Chem 53: 1222-37 (2010) | Pfizer Inc | 2D 3D TSV |
| 20042335 | 12 | [Lys(DOTA)4]BVD15, a novel and potent neuropeptide Y analog designed for Y1 receptor-targeted breast tumor imaging. |
Bioorg Med Chem Lett 20: 950-3 (2010) | Universit£ de Sherbrooke | 2D 3D TSV |
| 20042333 | 21 | Benzimidazole- and indole-substituted 1,3'-bipyrrolidine benzamides as histamine H3 receptor antagonists. |
Bioorg Med Chem Lett 20: 1237-40 (2010) | Wyeth Research | 2D 3D TSV |
| 20041717 | 24 | Characterization of sirtuin inhibitors in nematodes expressing a muscular dystrophy protein reveals muscle cell and behavioral protection by specific sirtinol analogues. |
J Med Chem 53: 1407-11 (2010) | Institute of Psychiatry and Neuroscience of Paris | 2D 3D TSV |
| 20041669 | 85 | Synthesis of dihydrofuroaporphine derivatives: identification of a potent and selective serotonin 5-HT 1A receptor agonist. |
J Med Chem 53: 1319-28 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 20041668 | 35 | Optimization of a pipemidic acid autotaxin inhibitor. |
J Med Chem 53: 1056-66 (2010) | The University of Memphis | 2D 3D TSV |
| 20041667 | 2 | Synthesis and characterization of iodinated tetrahydroquinolines targeting the G protein-coupled estrogen receptor GPR30. |
J Med Chem 53: 1004-14 (2010) | New Mexico State University | 2D 3D TSV |
| 20038125 | 28 | Synthesis, nicotinic acetylcholine receptor binding, and antinociceptive properties of 3'-(substituted phenyl)epibatidine analogues. Nicotinic partial agonists. |
J Nat Prod 73: 306-12 (2010) | Research Triangle Institute | 2D 3D TSV |
| 20038108 | 19 | Novel synthesis and structural characterization of a high-affinity paramagnetic kinase probe for the identification of non-ATP site binders by nuclear magnetic resonance. |
J Med Chem 53: 1238-49 (2010) | Wyeth Research | 2D 3D TSV |
| 20038106 | 48 | Development of (S)-N6-(2-(4-(isoquinolin-1-yl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]-thiazole-2,6-diamine and its analogue as a D3 receptor preferring agonist: potent in vivo activity in Parkinson's disease animal models. |
J Med Chem 53: 1023-37 (2010) | Wayne State University | 2D 3D TSV |
| 20038105 | 50 | Potent inhibitors of furin and furin-like proprotein convertases containing decarboxylated P1 arginine mimetics. |
J Med Chem 53: 1067-75 (2010) | Philipps University Marburg | 2D 3D TSV |
| 20036565 | 20 | Antifolate and antiproliferative activity of 6,8,10-triazaspiro[4.5]deca-6,8-dienes and 1,3,5-triazaspiro[5.5]undeca-1,3-dienes. |
Bioorg Med Chem 18: 737-43 (2010) | National University of Singapore | 2D 3D TSV |
| 20036564 | 27 | Towards the synthesis of bisubstrate inhibitors of protein farnesyltransferase: Synthesis and biological evaluation of new farnesylpyrophosphate analogues. |
Bioorg Med Chem 18: 543-56 (2010) | Centre de Recherche de Gif-sur-Yvette | 2D 3D TSV |
| 20036562 | 30 | 2-Dialkynyl derivatives of (N)-methanocarba nucleosides: 'Clickable' A(3) adenosine receptor-selective agonists. |
Bioorg Med Chem 18: 508-17 (2010) | NIDDK | 2D 3D TSV |
| 20036561 | 39 | Comparative molecular field analysis of fenoterol derivatives: A platform towards highly selective and effective beta(2)-adrenergic receptor agonists. |
Bioorg Med Chem 18: 728-36 (2010) | Medical University of Lublin | 2D 3D TSV |
| 20036560 | 5 | Fluoroalkene modification of mercaptoacetamide-based histone deacetylase inhibitors. |
Bioorg Med Chem 18: 605-11 (2010) | Saga University | 2D 3D TSV |
| 20036559 | 31 | Triazoloacridin-6-ones as novel inhibitors of the quinone oxidoreductases NQO1 and NQO2. |
Bioorg Med Chem 18: 696-706 (2010) | University of Manchester and Manchester Cancer Research Center | 2D 3D TSV |
| 20036557 | 13 | Novel anilinophthalimide derivatives as potential probes for beta-amyloid plaque in the brain. |
Bioorg Med Chem 18: 1337-43 (2010) | Beijing Normal University | 2D 3D TSV |
| 20036536 | 79 | Oxime carbamate--discovery of a series of novel FAAH inhibitors. |
Bioorg Med Chem Lett 20: 1272-7 (2010) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
| 20036448 | 20 | Synthesis of potent BACE-1 inhibitors incorporating a hydroxyethylene isostere as central core. |
Eur J Med Chem 45: 870-82 (2010) | Link£ping University | 2D 3D TSV |
| 20036446 | 2 | Synthesis and investigation of inhibition effect of fluorinated sulfonamide derivatives on carbonic anhydrase. |
Eur J Med Chem 45: 1225-9 (2010) | University of Montpellier | 2D 3D TSV |
| 20036445 | 2 | Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor. |
Eur J Med Chem 45: 1140-5 (2010) | Monash University (Parkville Campus) | 2D 3D TSV |
| 20036131 | 68 | Lobeline esters as novel ligands for neuronal nicotinic acetylcholine receptors and neurotransmitter transporters. |
Bioorg Med Chem 18: 640-9 (2010) | University of Kentucky | 2D 3D TSV |
| 20036121 | 49 | 2-Arylbenzoxazoles as CETP inhibitors: substitution and modification of the alpha-alkoxyamide moiety. |
Bioorg Med Chem Lett 20: 1019-22 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20036120 | 16 | Novel small molecule bradykinin B1 receptor antagonists. Part 3: hydroxyurea derivatives. |
Bioorg Med Chem Lett 20: 1233-6 (2010) | Jerini AG | 2D 3D TSV |
| 20036119 | 3 | Asymmetric syntheses of daedalin A and quercinol and their tyrosinase inhibitory activity. |
Bioorg Med Chem Lett 20: 1063-4 (2010) | Shinshu University | 2D 3D TSV |
| 20034793 | 31 | Synthesis and hSERT activity of homotryptamine analogs. Part 6: [3+2] dipolar cycloaddition of 3-vinylindoles. |
Bioorg Med Chem Lett 20: 1027-30 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20034789 | 32 | Inhibition of acetylcholinesterase by chromophore-linked fluorophosphonates. |
Bioorg Med Chem Lett 20: 1194-7 (2010) | The University of Montana | 2D 3D TSV |
| 20034787 | 11 | Synthesis and biological evaluation of novel allophenylnorstatine-based HIV-1 protease inhibitors incorporating high affinity P2-ligands. |
Bioorg Med Chem Lett 20: 1241-6 (2010) | Purdue University | 2D 3D TSV |
| 20031422 | 85 | Design and synthesis of selective inhibitors of placental alkaline phosphatase. |
Bioorg Med Chem 18: 573-9 (2010) | Human BioMolecular Research Institute | 2D 3D TSV |
| 20031420 | 13 | Click synthesis of estradiol-cyclodextrin conjugates as cell compartment selective estrogens. |
Bioorg Med Chem 18: 809-21 (2010) | University of Illinois at Chicago | 2D 3D TSV |
| 20031417 | 40 | Labeled 3-aryl-4-indolylmaleimide derivatives and their potential as angiogenic PET biomarkers. |
Bioorg Med Chem 18: 612-20 (2010) | Hadassah Hebrew University Hospital | 2D 3D TSV |
| 20031412 | 36 | Synthesis and SAR of novel imidazoles as potent and selective cannabinoid CB2 receptor antagonists with high binding efficiencies. |
Bioorg Med Chem Lett 20: 1084-9 (2010) | Solvay Pharma | 2D 3D TSV |
| 20031411 | 8 | Piperidine-based heterocyclic oxalyl amides as potent p38alpha MAP kinase inhibitors. |
Bioorg Med Chem Lett 20: 1059-62 (2010) | Scios Inc | 2D 3D TSV |
| 20031410 | 84 | Design, synthesis, and pharmacological evaluation of phenoxy pyridyl derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists. |
Bioorg Med Chem Lett 20: 1114-7 (2010) | Pfizer Inc | 2D 3D TSV |
| 20031408 | 9 | Aryl- and heteroaryl-substituted aminobenzo[a]quinolizines as dipeptidyl peptidase IV inhibitors. |
Bioorg Med Chem Lett 20: 1106-8 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20031406 | 85 | Synthesis and evaluation of two series of 4'-aza-carbocyclic nucleosides as adenosine A2A receptor agonists. |
Bioorg Med Chem Lett 20: 1219-24 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 20031405 | 19 | Discovery of carmegliptin: a potent and long-acting dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. |
Bioorg Med Chem Lett 20: 1109-13 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 20031403 | 113 | Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 1. |
Bioorg Med Chem Lett 20: 1177-80 (2010) | 7TM Pharma A/S | 2D 3D TSV |
| 20031402 | 2 | Molecular design of small organic molecules based on structural information for a conformationally constrained peptide that binds to G-CSF receptor. |
Bioorg Med Chem Lett 20: 1169-72 (2010) | Osaka Prefecture University | 2D 3D TSV |
| 20031401 | 54 | Identification and SAR of novel pyrrolo[1,2-a]pyrazin-1(2H)-one derivatives as inhibitors of poly(ADP-ribose) polymerase-1 (PARP-1). |
Bioorg Med Chem Lett 20: 1094-9 (2010) | IRBM/Merck Research Laboratories | 2D 3D TSV |
| 20030517 | 18 | Synthesis and activity of amides of tripeptides as potential urokinase inhibitors. |
J Enzyme Inhib Med Chem 25: 139-42 (2010) | Medical University of Bialystok | 2D 3D TSV |
| 20030512 | 1 | New antihyperglycemic, alpha-glucosidase inhibitory, and cytotoxic derivatives of benzimidazoles. |
J Enzyme Inhib Med Chem 25: 80-6 (2010) | Indian Institute of Chemical Technology | 2D 3D TSV |
| 20030505 | 6 | Stereoselective inhibition of butyrylcholinesterase by enantiomers of exo- and endo-2-norbornyl-N-n-butylcarbamates. |
J Enzyme Inhib Med Chem 25: 13-20 (2010) | Chung Shan Medical University Hospital | 2D 3D TSV |
| 20030504 | 38 | Fluorobenzoyl dipeptidyl derivatives as inhibitors of the Fasciola hepatica cysteine protease cathepsin L1. |
J Enzyme Inhib Med Chem 25: 1-12 (2010) | Dublin City University | 2D 3D TSV |
| 20030405 | 7 | Benzo[e]isoindole-1,3-diones as potential inhibitors of glycogen synthase kinase-3 (GSK-3). Synthesis, kinase inhibitory activity, zebrafish phenotype, and modeling of binding mode. |
J Med Chem 53: 994-1003 (2010) | Peking University | 2D 3D TSV |
| 20030343 | 11 | Novel 3-arylideneindolin-2-ones as inhibitors of NAD+ -dependent histone deacetylases (sirtuins). |
J Med Chem 53: 1383-6 (2010) | Ludwig-Maximilians-Universit£t M£nchen | 2D 3D TSV |
| 20028980 | 8 | Inhibition of AcpA phosphatase activity with ascorbate attenuates Francisella tularensis intramacrophage survival. |
J Biol Chem 285: 5171-7 (2010) | University of Florida | 2D 3D TSV |
| 20028820 | 7 | Mechanism of hepatitis C virus RNA polymerase inhibition with dihydroxypyrimidines. |
Antimicrob Agents Chemother 54: 977-83 (2010) | McGill University | 2D 3D TSV |
| 20028400 | 4 | High throughput receptor-based virtual screening under ZINC database, synthesis, and biological evaluation of ketol-acid reductoisomerase inhibitors. |
Chem Biol Drug Des 75: 228-32 (2010) | Nankai University | 2D 3D TSV |
| 20028100 | 78 | The coumarin-binding site in carbonic anhydrase accommodates structurally diverse inhibitors: the antiepileptic lacosamide as an example and lead molecule for novel classes of carbonic anhydrase inhibitors. |
J Med Chem 53: 850-4 (2010) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 20028081 | 2 | Micropeptins from an Israeli fishpond water bloom of the cyanobacterium Microcystis sp. |
J Nat Prod 73: 352-8 (2010) | Tel-Aviv University | 2D 3D TSV |
| 20025281 | 27 | Using NMR solvent water relaxation to investigate metalloenzyme-ligand binding interactions. |
J Med Chem 53: 867-75 (2010) | University of Oxford | 2D 3D TSV |
| 20025280 | 3 | Probing Torpedo californica acetylcholinesterase catalytic gorge with two novel bis-functional galanthamine derivatives. |
J Med Chem 53: 745-51 (2010) | Istituto di Cristallografia | 2D 3D TSV |
| 20022752 | 94 | Tricyclic dihydroquinazolinones as novel 5-HT2C selective and orally efficacious anti-obesity agents. |
Bioorg Med Chem Lett 20: 1128-33 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 20022749 | 159 | Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 2. |
Bioorg Med Chem Lett 20: 1181-5 (2010) | 7TM Pharma A/S | 2D 3D TSV |
| 20022748 | 4 | Molecular modeling study of 4-phenylpiperazine and 4-phenyl-1,2,3,6-tetrahydropyridine derivatives: a new step towards the design of high-affinity 5-HT1A ligands. |
Bioorg Med Chem Lett 20: 1118-23 (2010) | University of Li£ge | 2D 3D TSV |
| 20022747 | 35 | Development of substituted 6-[4-fluoro-3-(piperazin-1-ylcarbonyl)benzyl]-4,5-dimethylpyridazin-3(2H)-ones as potent poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors active in BRCA deficient cells. |
Bioorg Med Chem Lett 20: 1100-5 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20022510 | 61 | Identification and characterisation of 2-aminopyridine inhibitors of checkpoint kinase 2. |
Bioorg Med Chem 18: 707-18 (2010) | The Institute of Cancer Research | 2D 3D TSV |
| 20022504 | 9 | Synthesis and biological evaluation of new potential inhibitors of N-acylethanolamine hydrolyzing acid amidase. |
Bioorg Med Chem Lett 20: 1210-3 (2010) | University of Salerno | 2D 3D TSV |
| 20022503 | 15 | Synthesis and antidepressant activity of optical isomers of 2-(4-benzylpiperazin-1-yl)-1-(5-chloro-6-methoxynaphthalen-2-yl) propan-1-ol (SIPI5056). |
Bioorg Med Chem Lett 20: 1256-9 (2010) | Institute of Pharmaceutical Industry | 2D 3D TSV |
| 20022498 | 71 | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors. |
Bioorg Med Chem Lett 20: 1189-93 (2010) | Schering-Plough Research Institute | 2D 3D TSV |
| 20022497 | 5 | 5'-O-Dephosphorylated 2',5'-oligoadenylate (2-5A) with 8-methyladenosine at the 2'-terminus activates human RNase L. |
Bioorg Med Chem Lett 20: 1186-8 (2010) | Gifu University | 2D 3D TSV |
| 20022495 | 7 | Natural ortho-dihydroxyisoflavone derivatives from aged Korean fermented soybean paste as potent tyrosinase and melanin formation inhibitors. |
Bioorg Med Chem Lett 20: 1162-4 (2010) | AmorePacific Corporation | 2D 3D TSV |
| 20022494 | 60 | 2,3-Diaminopyrazines as rho kinase inhibitors. |
Bioorg Med Chem Lett 20: 1137-40 (2010) | AMRI | 2D 3D TSV |
| 20022493 | 35 | Heterocycle-substituted proline dipeptides as potent VLA-4 antagonists. |
Bioorg Med Chem Lett 20: 1173-6 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20022492 | 29 | Design and synthesis of novel bis-oximinoalkanoic acids as potent PPARalpha agonists. |
Bioorg Med Chem Lett 20: 1156-61 (2010) | Zydus Research Centre | 2D 3D TSV |
| 20022243 | 8 | Piperazinyl pyrimidine derivatives as potent gamma-secretase modulators. |
Bioorg Med Chem Lett 20: 1269-71 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20020776 | 56 | In vivo structure-activity relationship study of dorsomorphin analogues identifies selective VEGF and BMP inhibitors. |
ACS Chem Biol 5: 245-53 (2010) | Vanderbilt University | 2D 3D TSV |
| 20020755 | 2 | Molassamide, a depsipeptide serine protease inhibitor from the marine cyanobacterium Dichothrix utahensis. |
J Nat Prod 73: 459-62 (2010) | Smithsonian Marine Station at Ft. Pierce | 2D 3D TSV |
| 20020710 | 30 | Novel KCNQ2/Q3 agonists as potential therapeutics for epilepsy and neuropathic pain. |
J Med Chem 53: 887-96 (2010) | Icagen Inc | 2D 3D TSV |
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Bioorg Med Chem Lett 20: 1278-83 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20017516 | 11 | Development of near-infrared fluorophore (NIRF)-labeled activity-based probes for in vivo imaging of legumain. |
ACS Chem Biol 5: 233-43 (2010) | Stanford University | 2D 3D TSV |
| 20017493 | 29 | Synthesis and biological evaluation of N-hydroxyphenylacrylamides and N-hydroxypyridin-2-ylacrylamides as novel histone deacetylase inhibitors. |
J Med Chem 53: 822-39 (2010) | Congenia s.r.l. | 2D 3D TSV |
| 20015651 | 16 | Novel small molecule bradykinin B1 receptor antagonists. Part 2: 5-membered diaminoheterocycles. |
Bioorg Med Chem Lett 20: 1229-32 (2010) | Jerini AG | 2D 3D TSV |
| 20015649 | 53 | Biaryl piperidines as potent and selective delta opioid receptor ligands. |
Bioorg Med Chem Lett 20: 503-7 (2010) | Pfizer Inc | 2D 3D TSV |
| 20015648 | 94 | Discovery and SAR of novel, potent and selective hexahydrobenzonaphthyridinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1). |
Bioorg Med Chem Lett 20: 448-52 (2010) | IRBM-Merck Research Laboratories Rome | 2D 3D TSV |
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Bioorg Med Chem Lett 20: 453-7 (2010) | 7TM Pharma A/S | 2D 3D TSV |
| 20015646 | 3 | Inhibition of Yersinia protein tyrosine phosphatase by phosphonate derivatives of calixarenes. |
Bioorg Med Chem Lett 20: 483-7 (2010) | National Academy of Sciences of Ukraine | 2D 3D TSV |
| 20015645 | 24 | Novel small molecule bradykinin B1 receptor antagonists. Part 1: benzamides and semicarbazides. |
Bioorg Med Chem Lett 20: 1225-8 (2010) | Jerini AG | 2D 3D TSV |
| 20014894 | 4 | Inhibition studies of soybean (Glycine max) urease with heavy metals, sodium salts of mineral acids, boric acid, and boronic acids. |
J Enzyme Inhib Med Chem 25: 646-52 (2010) | Banaras Hindu University | 2D 3D TSV |
| 20014870 | 14 | Discovery of 6alpha-ethyl-23(S)-methylcholic acid (S-EMCA, INT-777) as a potent and selective agonist for the TGR5 receptor, a novel target for diabesity. |
J Med Chem 52: 7958-61 (2009) | Universita di Perugia | 2D 3D TSV |
| 20014869 | 10 | Janus kinase 2 inhibitors. Synthesis and characterization of a novel polycyclic azaindole. |
J Med Chem 52: 7938-41 (2009) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 20014868 | 6 | N-sulfonylanthranilic acid derivatives as allosteric inhibitors of dengue viral RNA-dependent RNA polymerase. |
J Med Chem 52: 7934-7 (2009) | Novartis Institute for Tropical Diseases | 2D 3D TSV |
| 20014777 | 6 | Antiviral potential and molecular insight into neuraminidase inhibiting diarylheptanoids from Alpinia katsumadai. |
J Med Chem 53: 778-86 (2010) | University of Innsbruck | 2D 3D TSV |
| 20007017 | 45 | Synthesis and biological evaluation of substituted 2-phenyl-2H-indazole-7-carboxamides as potent poly(ADP-ribose) polymerase (PARP) inhibitors. |
Bioorg Med Chem Lett 20: 488-92 (2010) | IRBM-Merck Research Laboratories Rome | 2D 3D TSV |
| 20006931 | 18 | Synthesis, characterization and antiglaucoma activity of a novel proton transfer compound and a mixed-ligand Zn(II) complex. |
Bioorg Med Chem 18: 930-8 (2010) | Dumlupinar University | 2D 3D TSV |
| 20006518 | 2 | A diazirine-based photoaffinity etoposide probe for labeling topoisomerase II. |
Bioorg Med Chem 18: 830-8 (2010) | University of Manitoba | 2D 3D TSV |
| 20006515 | 5 | Novel and selective DNA methyltransferase inhibitors: Docking-based virtual screening and experimental evaluation. |
Bioorg Med Chem 18: 822-9 (2010) | Deutsches Krebsforschungszentrum | 2D 3D TSV |
| 20006500 | 60 | Tetrasubstituted pyridines as potent and selective AKT inhibitors: Reduced CYP450 and hERG inhibition of aminopyridines. |
Bioorg Med Chem Lett 20: 684-8 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20006499 | 24 | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs. |
Bioorg Med Chem Lett 20: 618-22 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20006498 | 67 | Novel spiropiperidine-based stearoyl-CoA desaturase-1 inhibitors: Identification of 1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-5-(trifluoromethyl)-3,4-dihydrospiro[chromene-2,4'-piperidine]. |
Bioorg Med Chem Lett 20: 746-54 (2010) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 20006497 | 49 | 2,3,5-Trisubstituted pyridines as selective AKT inhibitors-Part I: Substitution at 2-position of the core pyridine for ROCK1 selectivity. |
Bioorg Med Chem Lett 20: 673-8 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20006495 | 62 | 1-(3-Aryloxyaryl)benzimidazole sulfones are liver X receptor agonists. |
Bioorg Med Chem Lett 20: 526-30 (2010) | Wyeth Pharmaceuticals | 2D 3D TSV |
| 20005726 | 5 | Development of carbohydrate-derived inhibitors of acid sphingomyelinase. |
Bioorg Med Chem 18: 939-44 (2010) | Humboldt Universit£t zu Berlin | 2D 3D TSV |
| 20005725 | 61 | 1-Indol-1-yl-propan-2-ones and related heterocyclic compounds as dual inhibitors of cytosolic phospholipase A(2)alpha and fatty acid amide hydrolase. |
Bioorg Med Chem 18: 945-52 (2010) | University of M£nster | 2D 3D TSV |
| 20005724 | 22 | Characterization of non-lipid autotaxin inhibitors. |
Bioorg Med Chem 18: 769-76 (2010) | The University of Memphis | 2D 3D TSV |
| 20005712 | 14 | Spirodiketopiperazine-based CCR5 antagonists: Improvement of their pharmacokinetic profiles. |
Bioorg Med Chem Lett 20: 763-6 (2010) | Minase Research Institute | 2D 3D TSV |
| 20005711 | 102 | 3-(3-Aryloxyaryl)imidazo[1,2-a]pyridine sulfones as liver X receptor agonists. |
Bioorg Med Chem Lett 20: 521-5 (2010) | Wyeth Pharmaceuticals | 2D 3D TSV |
| 20005710 | 70 | Non-aromatic A-ring replacement in the triaryl bis-sulfone CB2 receptor inhibitors. |
Bioorg Med Chem Lett 20: 608-11 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20005704 | 7 | Novel thioamide derivatives as neutral CB1 receptor antagonists. |
Bioorg Med Chem Lett 20: 479-82 (2010) | AstraZeneca R & D M£lndal | 2D 3D TSV |
| 20005703 | 66 | Synthesis and evaluation of 3-amino-6-aryl-pyridazines as selective CB(2) agonists for the treatment of inflammatory pain. |
Bioorg Med Chem Lett 20: 465-8 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20005117 | 24 | Design, synthesis and biological evaluation of 6-(benzyloxy)-4-methylquinolin-2(1H)-one derivatives as PDE3 inhibitors. |
Bioorg Med Chem 18: 855-62 (2010) | Islamic Azad University | 2D 3D TSV |
| 20005116 | 42 | Synthesis, biological evaluation and molecular docking studies of amide-coupled benzoic nitrogen mustard derivatives as potential antitumor agents. |
Bioorg Med Chem 18: 880-6 (2010) | Nanjing University | 2D 3D TSV |
| 20005115 | 26 | Probes for narcotic receptor mediated phenomena. 40. N-substituted cis-4a-ethyl-1,2,3,4,4a,9a-hexahydrobenzofuro[2,3-c]pyridin-8-ols. |
Bioorg Med Chem 18: 91-9 (2010) | NIDA | 2D 3D TSV |
| 20005104 | 85 | The first synthetic agonists of FFA2: Discovery and SAR of phenylacetamides as allosteric modulators. |
Bioorg Med Chem Lett 20: 493-8 (2010) | Amgen Inc | 2D 3D TSV |
| 20005103 | 18 | Synthesis and in vivo evaluation of bicyclic gababutins. |
Bioorg Med Chem Lett 20: 461-4 (2010) | Pfizer Inc | 2D 3D TSV |
| 20005102 | 34 | 2,3,5-Trisubstituted pyridines as selective AKT inhibitors. Part II: Improved drug-like properties and kinase selectivity from azaindazoles. |
Bioorg Med Chem Lett 20: 679-83 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20005101 | 21 | Isoxazolopyridone derivatives as allosteric metabotropic glutamate receptor 7 antagonists. |
Bioorg Med Chem Lett 20: 726-9 (2010) | Banyu Tsukuba Research Institute | 2D 3D TSV |
| 20005099 | 22 | Fluorinated piperidine acetic acids as gamma-secretase modulators. |
Bioorg Med Chem Lett 20: 755-8 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 20005097 | 58 | Discovery of (pyridin-4-yl)-2H-tetrazole as a novel scaffold to identify highly selective matrix metalloproteinase-13 inhibitors for the treatment of osteoarthritis. |
Bioorg Med Chem Lett 20: 576-80 (2010) | Pfizer Inc | 2D 3D TSV |
| 20005096 | 112 | The identification of structurally novel, selective, orally bioavailable positive modulators of mGluR2. |
Bioorg Med Chem Lett 20: 759-62 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 20004584 | 57 | 3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 1: discovery and exploration of the carboxyamide side chain. |
Bioorg Med Chem 18: 80-90 (2010) | Minase Research Institute | 2D 3D TSV |
| 20004578 | 28 | Chemical lead optimization of a pan G(q) mAChR M(1), M(3), M(5) positive allosteric modulator (PAM) lead. Part I: Development of the first highly selective M(5) PAM. |
Bioorg Med Chem Lett 20: 558-62 (2010) | Vanderbilt University Medical Center | 2D 3D TSV |
| 20004577 | 6 | Evaluation of human neutrophil elastase inhibitory effect of iridoid glycosides from Hedyotis diffusa. |
Bioorg Med Chem Lett 20: 513-5 (2010) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
| 20004572 | 11 | Synthesis and PGE(2) production inhibition of 1H-furan-2,5-dione and 1H-pyrrole-2,5-dione derivatives. |
Bioorg Med Chem Lett 20: 734-7 (2010) | Kyung Hee University | 2D 3D TSV |
| 20004099 | 52 | Evaluation of secondary amide replacements in a series of CCR5 antagonists as a means to increase intrinsic membrane permeability. Part 1: Optimization of gem-disubstituted azacycles. |
Bioorg Med Chem Lett 20: 704-8 (2010) | Roche Palo Alto | 2D 3D TSV |
| 20004097 | 36 | Synthesis and biological activity of a potent and orally bioavailable SCD inhibitor (MF-438). |
Bioorg Med Chem Lett 20: 499-502 (2010) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 20004096 | 49 | Identification of a new class of small molecule C5a receptor antagonists. |
Bioorg Med Chem Lett 20: 662-4 (2010) | Wyeth Research | 2D 3D TSV |
| 20000735 | 12 | Through the"gatekeeper door": exploiting the active kinase conformation. |
J Med Chem 53: 2681-94 (2010) | Nerviano Medical Sciences | 2D 3D TSV |
| 20000679 | 89 | Dual-action lipophilic iminosugar improves glycemic control in obese rodents by reduction of visceral glycosphingolipids and buffering of carbohydrate assimilation. |
J Med Chem 53: 689-98 (2010) | Leiden University | 2D 3D TSV |
| 20000469 | 179 | Hit to lead account of the discovery of bisbenzamide and related ureidobenzamide inhibitors of Rho kinase. |
J Med Chem 53: 759-77 (2010) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 20000419 | 51 | Recent advances in the discovery of competitive protein tyrosine phosphatase 1B inhibitors for the treatment of diabetes, obesity, and cancer. |
J Med Chem 53: 2333-44 (2010) | Incyte Corporation | 2D 3D TSV |
| 20000418 | 1 | Application of the dipeptidyl peptidase IV (DPPIV/CD26) based prodrug approach to different amine-containing drugs. |
J Med Chem 53: 559-72 (2010) | Instituto de Qu£mica M£dica (CSIC) | 2D 3D TSV |
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