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21999614 11 Cannabinomimetic lipid from a marine cyanobacterium.EBI J Nat Prod 74: 2313-7 (2011) University of California 2D 3D TSV
21999604 43 Carbonic anhydrase inhibitors: inhibition of human and bovine isoenzymes by benzenesulphonamides, cyclitols and phenolic compounds.BDB J Enzyme Inhib Med Chem 27: 845-8 (2012) Ondokuz Mayis University 2D 3D TSV
21999579 40 Development of a bivalent dopamine D2 receptor agonist.EBI J Med Chem 54: 7911-9 (2011) Friedrich Alexander University 2D 3D TSV
21999508 20 Novel N-linked aminopiperidine inhibitors of bacterial topoisomerase type II: broad-spectrum antibacterial agents with reduced hERG activity.EBI J Med Chem 54: 7834-47 (2011) AstraZeneca R&D Boston 2D 3D TSV
21999461 90 1,7-Naphthyridine 1-oxides as novel potent and selective inhibitors of p38 mitogen activated protein kinase.EBI J Med Chem 54: 7899-910 (2011) Rhône-Poulenc Rorer 2D 3D TSV
21996606 9 Design and synthesis of biotinylated inositol 1,3,4,5-tetrakisphosphate targeting Grp1 pleckstrin homology domain.EBI Bioorg Med Chem 19: 6833-41 (2011) Kumamoto Health Science University 2D 3D TSV
21996520 149 7-Oxopyrrolopyridine-derived DPP4 inhibitors-mitigation of CYP and hERG liabilities via introduction of polar functionalities in the active site.EBI Bioorg Med Chem Lett 21: 6646-51 (2011) Bristol-Myers Squibb Research and Development 2D 3D TSV
21996517 5 Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV.EBI Bioorg Med Chem Lett 21: 6630-5 (2011) Graduate University of the Chinese Academy of Sciences 2D 3D TSV
21996467 17 Synthesis and biological activity of new bispyridinium salts of 4,4'-bispyridyl-5,5'-perfluoroalkyl-2,2'-bisoxazoles.EBI Eur J Med Chem 46: 5662-7 (2011) Universidad Europea de Madrid 2D 3D TSV
21996466 40 1-Aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamide: an effective scaffold for the design of either CB1 or CB2 receptor ligands.EBI Eur J Med Chem 46: 5641-53 (2011) Sapienza Universit£ di Roma 2D 3D TSV
21995444 32 Discovery of N-[2-hydroxy-6-(4-methoxybenzamido)phenyl]-4- (4-methyl-1,4-diazepan-1-yl)benzamide (darexaban, YM150) as a potent and orally available factor Xa inhibitor.EBI J Med Chem 54: 8051-65 (2011) Astellas Pharma Inc 2D 3D TSV
21992804 1 Daedalols A-C, fungal-derived BACE1 inhibitors.EBI Bioorg Med Chem 19: 6581-6 (2011) University of Hawai'i at Manoa 2D 3D TSV
21992176 52 Novel analgesic/anti-inflammatory agents: diarylpyrrole acetic esters endowed with nitric oxide releasing properties.EBI J Med Chem 54: 7759-71 (2011) Universit£"Sapienza" 2D 3D TSV
21992004 78 Selective aurora kinase inhibitors identified using a taxol-induced checkpoint sensitivity screen.BDB ACS Chem Biol 7: 185-96 (2012) Harvard Medical School 2D 3D TSV
21988196 15 Low molecular weight phosphotyrosine protein phosphatases as emerging targets for the design of novel therapeutic agents.EBI J Med Chem 55: 2-22 (2012) University of Messina 2D 3D TSV
21988093 316 Highly potent, selective, and orally active phosphodiesterase 10A inhibitors.EBI J Med Chem 54: 7621-38 (2011) Pfizer Inc. 2D 3D TSV
21986588 19 Carbazole-containing arylcarboxamides as BACE1 inhibitors.EBI Bioorg Med Chem Lett 21: 6657-61 (2011) Universit£ di Pisa 2D 3D TSV
21986586 124 Identification and SAR of selective inducible nitric oxide synthase (iNOS) dimerization inhibitors.EBI Bioorg Med Chem Lett 21: 6888-94 (2011) Kalypsys Inc. 2D 3D TSV
21986585 2 A modular approach to trim cellular targets in anticancer drug discovery.EBI Bioorg Med Chem Lett 21: 6641-5 (2011) Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (IUBO-AG) 2D 3D TSV
21986237 18 Docking studies of benzylidene anabaseine interactions witha7 nicotinic acetylcholine receptor (nAChR) and acetylcholine binding proteins (AChBPs): application to the design of relateda7 selective ligands.EBI Eur J Med Chem 46: 5625-35 (2011) Targacept Inc 2D 3D TSV
21985639 70 Rational design of phosphoinositide 3-kinasea inhibitors that exhibit selectivity over the phosphoinositide 3-kinaseß isoform.EBI J Med Chem 54: 7815-33 (2011) Genentech 2D 3D TSV
21985426 27 Chromone containing sulfonamides as potent carbonic anhydrase inhibitors.BDB J Enzyme Inhib Med Chem 27: 744-7 (2012) Ondokuz Mayis University 2D 3D TSV
21985377 42 Synthesis and biological evaluation of novel N, N'-disubstituted urea and thiourea derivatives as potential anti-melanoma agents.BDB J Enzyme Inhib Med Chem 27: 708-14 (2012) Nanjing University 2D 3D TSV
21984958 83 Potential Agents for Treating Cystic Fibrosis: Cyclic Tetrapeptides that Restore Trafficking and Activity of ┐F508-CFTR.EBI ACS Med Chem Lett 2: 703-707 (2011) TBA 2D 3D TSV
21984832 20 In vitro validation of acetyltransferase activity of GlmU as an antibacterial target in Haemophilus influenzae.BDB J Biol Chem 286: 40734-42 (2011) AstraZeneca 2D 3D TSV
21983447 1 Synthesis of purine modified 2'-C-methyl nucleosides as potential anti-HCV agents.EBI Bioorg Med Chem Lett 21: 6788-92 (2011) Emory University School of Medicine 2D 3D TSV
21983444 78 Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11ß-hydroxydehydrogenase 1 (11ß-HSD1).EBI Bioorg Med Chem Lett 21: 6693-8 (2011) Bristol-Myers Squibb Research& Development 2D 3D TSV
21983442 142 Synthesis and structure-activity relationship studies of dihydronaphthyridinediones as a novel structural class of potent and selective PDE7 inhibitors.EBI Bioorg Med Chem Lett 21: 6652-6 (2011) biocrea GmbH 2D 3D TSV
21983439 65 Design, synthesis, and SAR studies of novel polycyclic acids as potent and selective inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD-1).EBI Bioorg Med Chem Lett 21: 6699-704 (2011) Bristol-Myers Squibb 2D 3D TSV
21983437 37 Synthesis and acrosin inhibitory activity of substituted 4-amino-N-(diaminomethylene) benzenesulfonamide derivatives.EBI Bioorg Med Chem Lett 21: 6674-7 (2011) Second Military Medical University 2D 3D TSV
21982797 128 9,10-secosteroids, protein kinase inhibitors from the Chinese gorgonian Astrogorgia sp.EBI Bioorg Med Chem 19: 6873-80 (2011) Peking University 2D 3D TSV
21982796 108 Design, synthesis and biological evaluation of 6-pyridylmethylaminopurines as CDK inhibitors.EBI Bioorg Med Chem 19: 6949-65 (2011) Institute of Cancer Research 2D 3D TSV
21982795 81 Discovery of new orally active prostaglandin D2 receptor antagonists.EBI Bioorg Med Chem 19: 6935-48 (2011) Ono Pharmaceutical Co., Ltd 2D 3D TSV
21982500 47 Identification of a novel RAMP-independent CGRP receptor antagonist.EBI Bioorg Med Chem Lett 21: 6705-8 (2011) Merck Research Laboratories 2D 3D TSV
21982499 180 7-(4H-1,2,4-Triazol-3-yl)benzo[c][2,6]naphthyridines: a novel class of Pim kinase inhibitors with potent cell antiproliferative activity.EBI Bioorg Med Chem Lett 21: 6687-92 (2011) Cylene Pharmaceuticals 2D 3D TSV
21982496 4 A novel potential therapeutic avenue for autism: design, synthesis and pharmacophore generation of SSRIs with dual action.EBI Bioorg Med Chem Lett 21: 6714-23 (2011) Qatar University 2D 3D TSV
21982495 61 Discovery, synthesis and SAR analysis of novel selective small molecule S1P4-R agonists based on a (2Z,5Z)-5-((pyrrol-3-yl)methylene)-3-alkyl-2-(alkylimino)thiazolidin-4-one chemotype.EBI Bioorg Med Chem Lett 21: 6739-45 (2011) The Scripps Research Institute 2D 3D TSV
21982494 75 Continued exploration of biphenylsulfonamide scaffold as a platform for aggrecanase-1 inhibition.EBI Bioorg Med Chem Lett 21: 6800-3 (2011) Pfizer Inc. 2D 3D TSV
21982493 1 The design, synthesis and biological evaluation of novel URB602 analogues as potential monoacylglycerol lipase inhibitors.EBI Bioorg Med Chem Lett 21: 6782-7 (2011) Monash University (Parkville Campus) 2D 3D TSV
21981981 38 Synthesis, biological assay in vitro and molecular docking studies of new Schiff base derivatives as potential urease inhibitors.EBI Eur J Med Chem 46: 5473-9 (2011) COMSATS Institute of Information Technology 2D 3D TSV
21981714 48 Discovery of a potent, selective, and orally available class I phosphatidylinositol 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) kinase inhibitor (GDC-0980) for the treatment of cancer.EBI J Med Chem 54: 7579-87 (2011) Genentech 2D 3D TSV
21981000 104 Polyphenol fatty acid esters as serine protease inhibitors: a quantum-chemical QSAR analysis.BDB J Enzyme Inhib Med Chem 27: 800-9 (2012) Slovak University of Technology 2D 3D TSV
21978950 28 Design, synthesis, and biological evaluation of callophycin A and analogues as potential chemopreventive and anticancer agents.EBI Bioorg Med Chem 19: 6182-95 (2011) University of Hawai'i at Hilo 2D 3D TSV
21978946 45 Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer.EBI Bioorg Med Chem 19: 6383-99 (2011) Takeda Pharmaceutical Company, Ltd. 2D 3D TSV
21978683 78 Discovery and SAR exploration of a novel series of imidazo[4,5-b]pyrazin-2-ones as potent and selective mTOR kinase inhibitors.EBI Bioorg Med Chem Lett 21: 6793-9 (2011) Celgene Corporation 2D 3D TSV
21978680 25 Structural requirement of phenylthiourea analogs for their inhibitory activity of melanogenesis and tyrosinase.EBI Bioorg Med Chem Lett 21: 6824-8 (2011) Chungnam National University 2D 3D TSV
21978678 12 Synthesis and radioligand binding studies of bis-(8-isopropyl-isoquinolinium) derivatives as ligands for apamin-sensitive sites on cloned SK2 and SK3 channels.EBI Bioorg Med Chem Lett 21: 6756-9 (2011) University of Li£ge 2D 3D TSV
21978675 4 Discovery of highly potent small molecule Hepatitis C Virus entry inhibitors.EBI Bioorg Med Chem Lett 21: 6852-5 (2011) iTherX Pharmaceuticals, Inc. 2D 3D TSV
21978672 49 Synthesis and preliminary evaluation of amiloride analogs as inhibitors of the urokinase-type plasminogen activator (uPA).EBI Bioorg Med Chem Lett 21: 6760-6 (2011) University of Wollongong 2D 3D TSV
21978284 42 Superpotent [Dmt¹] dermorphin tetrapeptides containing the 4-aminotetrahydro-2-benzazepin-3-one scaffold with mixedµ/d opioid receptor agonistic properties.EBI J Med Chem 54: 7848-59 (2011) Vrije Universiteit Brussel 2D 3D TSV
21975069 65 Melanin-concentrating hormone receptor 1 antagonists: synthesis, structure-activity relationship, docking studies, and biological evaluation of 2,3,4,5-tetrahydro-1H-3-benzazepine derivatives.EBI Bioorg Med Chem 19: 6261-73 (2011) Takeda Pharmaceutical Co., Ltd 2D 3D TSV
21975067 12 Binding of isoxazole and pyrazole derivatives of curcumin with the activator binding domain of novel protein kinase C.EBI Bioorg Med Chem 19: 6196-202 (2011) University of Houston 2D 3D TSV
21975066 59 Formulating a new basis for the treatment against botulinum neurotoxin intoxication: 3,4-Diaminopyridine prodrug design and characterization.EBI Bioorg Med Chem 19: 6203-9 (2011) The Scripps Research Institute 2D 3D TSV
21975065 8 Synthesis and characterization of [¹²¿?¿I]2-iodo N-[(S)-{(S)-1-methylpiperidin-2-yl}(phenyl)methyl]3-trifluoromethyl-benzamide as novel imaging probe for glycine transporter 1.EBI Bioorg Med Chem 19: 6245-53 (2011) Nagasaki University 2D 3D TSV
21974957 27 Identification of novel NK1/NK3 dual antagonists for the potential treatment of schizophrenia.EBI Bioorg Med Chem Lett 21: 6899-904 (2011) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
21974956 11 AHL-dependent quorum sensing inhibition: synthesis and biological evaluation ofa-(N-alkyl-carboxamide)-¿-butyrolactones anda-(N-alkyl-sulfonamide)-¿-butyrolactones.EBI Bioorg Med Chem Lett 21: 6876-9 (2011) INSA Lyon 2D 3D TSV
21974952 31 Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors.EBI Bioorg Med Chem Lett 21: 6909-15 (2011) Bristol-Myers Squibb Research and Development 2D 3D TSV
21974950 8 A fluorescent probe for GM1 gangliosidosis relatedß-galactosidase: N-(dansylamino)hexylaminocarbonylpentyl-1,5-dideoxy-1,5-imino-D-galactitol.EBI Bioorg Med Chem Lett 21: 6872-5 (2011) Industrial Research Limited 2D 3D TSV
21974949 57 Discovery of a new class of glucosylceramide synthase inhibitors.EBI Bioorg Med Chem Lett 21: 6773-7 (2011) Exelixis 2D 3D TSV
21972996 21 Introduction of an electron withdrawing group on the hydroxyphenylnaphthol scaffold improves the potency of 17ß-hydroxysteroid dehydrogenase type 2 (17ß-HSD2) inhibitors.EBI J Med Chem 54: 7547-57 (2011) Saarland University 2D 3D TSV
21972823 10 Tricyclic series of heat shock protein 90 (Hsp90) inhibitors part I: discovery of tricyclic imidazo[4,5-c]pyridines as potent inhibitors of the Hsp90 molecular chaperone.EBI J Med Chem 54: 7206-19 (2011) Sanofi-Aventis Research and Development 2D 3D TSV
21970471 66 Design, synthesis, and evaluation of a novel dual FMS-like tyrosine kinase 3/stem cell factor receptor (FLT3/c-KIT) inhibitor for the treatment of acute myelogenous leukemia.EBI J Med Chem 54: 7184-92 (2011) Vertex Pharmaceuticals Inc. 2D 3D TSV
21969368 3 Mechanistic studies of substrate-assisted inhibition of ubiquitin-activating enzyme by adenosine sulfamate analogues.BDB J Biol Chem 286: 40867-77 (2011) Millennium Pharmaceuticals Inc. 2D 3D TSV
21967808 52 Improvement in oral bioavailability of 2,4-diaminopyrimidine c-Met inhibitors by incorporation of a 3-amidobenzazepin-2-one group.EBI Bioorg Med Chem 19: 6274-84 (2011) Cephalon, Inc. 2D 3D TSV
21967807 36 Identification of a potent and selectives¿? receptor agonist potentiating NGF-induced neurite outgrowth in PC12 cells.EBI Bioorg Med Chem 19: 6210-24 (2011) University of Pavia 2D 3D TSV
21966980 5 Novel orally active antimalarial thiazoles.EBI J Med Chem 54: 7713-9 (2011) University of Cape Town 2D 3D TSV
21966950 4 Targeting zymogen activation to control the matriptase-prostasin proteolytic cascade.EBI J Med Chem 54: 7567-78 (2011) University of Maryland 2D 3D TSV
21966889 61 Discovery, synthesis, and structure-activity relationship development of a series of N-4-(2,5-dioxopyrrolidin-1-yl)phenylpicolinamides (VU0400195, ML182): characterization of a novel positive allosteric modulator of the metabotropic glutamate receptor 4 (mGlu(4)) with oral efficacy in an antiparkinEBI J Med Chem 54: 7639-47 (2011) Vanderbilt University Medical Center 2D 3D TSV
21965623 170 In vitro inhibition of the bile salt export pump correlates with risk of cholestatic drug-induced liver injury in humans.EBI Drug Metab Dispos 40: 130-8 (2011) AstraZeneca 2D 3D TSV
21963986 162 Non-steroidal dissociated glucocorticoid agonists: indoles as A-ring mimetics and function-regulating pharmacophores.EBI Bioorg Med Chem Lett 21: 6842-51 (2011) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
21963985 19 Identification of 4-quinolone derivatives as inhibitors of reactive oxygen species production from human umbilical vein endothelial cells.EBI Bioorg Med Chem Lett 21: 6861-6 (2011) Astellas Pharma Inc. 2D 3D TSV
21963348 7 Synthesis, preliminary biological evaluation and molecular modeling of some new heterocyclic inhibitors of TACE.EBI Eur J Med Chem 46: 5549-55 (2011) Sun Pharma Advanced Research Company Ltd 2D 3D TSV
21963115 3 Oligopeptide cyclophilin inhibitors: a reassessment.EBI Eur J Med Chem 46: 5556-61 (2011) Max Planck Research Unit for Enzymology of Protein Folding 2D 3D TSV
21962988 31 Design, synthesis and biological evaluation of mannosyl triazoles as FimH antagonists.EBI Bioorg Med Chem 19: 6454-73 (2011) University of Basel 2D 3D TSV
21962578 3 Synthesis and in vivo evaluation of [18F]N-(2-benzofuranylmethyl)-N'-[4-(2-fluoroethoxy)benzyl]piperazine, a novels1 receptor PET imaging agent.EBI Bioorg Med Chem Lett 21: 6820-3 (2011) The University of Sydney 2D 3D TSV
21962577 28 Fatty acids as natural specific inhibitors of the proto-oncogenic protein Shp2.EBI Bioorg Med Chem Lett 21: 6833-7 (2011) Xiamen University 2D 3D TSV
21962576 1 Computational techniques are valuable tools for the discovery of protein-protein interaction inhibitors: the 14-3-3s case.EBI Bioorg Med Chem Lett 21: 6867-71 (2011) University of Siena 2D 3D TSV
21962575 8 Characterization of a novel and selective CB1 antagonist as a radioligand for receptor occupancy studies.EBI Bioorg Med Chem Lett 21: 6856-60 (2011) Bristol-Myers Squibb Co. 2D 3D TSV
21962523 20 Synthesis, biological evaluation, and molecular docking studies of 1,3,4-oxadiazole derivatives possessing 1,4-benzodioxan moiety as potential anticancer agents.EBI Bioorg Med Chem 19: 6518-24 (2011) Nanjing University 2D 3D TSV
21962108 14 Lactam-stabilized helical analogues of the analgesicµ-conotoxin KIIIA.EBI J Med Chem 54: 7558-66 (2011) Monash University 2D 3D TSV
21958738 6 Bioassay-guided identification of an anti-inflammatory prenylated acylphloroglucinol from Melicope ptelefolia and molecular insights into its interaction with 5-lipoxygenase.EBI Bioorg Med Chem 19: 6340-7 (2011) Universiti Putra Malaysia 2D 3D TSV
21958737 24 Design, synthesis and biological evaluation of benzo[1.3.2]dithiazolium ylide 1,1-dioxide derivatives as potential dual cyclooxygenase-2/5-lipoxygenase inhibitors.EBI Bioorg Med Chem 19: 6316-28 (2011) National Taiwan University 2D 3D TSV
21958547 108 Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.EBI Bioorg Med Chem Lett 21: 6258-63 (2011) Pfizer Inc. 2D 3D TSV
21958546 5 Discovery of 1-arylcarbonyl-6,7-dimethoxyisoquinoline derivatives as glutamine fructose-6-phosphate amidotransferase (GFAT) inhibitors.EBI Bioorg Med Chem Lett 21: 6264-9 (2011) Hoffmann-La Roche Inc. 2D 3D TSV
21958545 77 2-Oxo-N-aryl-1,2,3,4-tetrahydroquinoline-6-sulfonamides as activators of the tumor cell specific M2 isoform of pyruvate kinase.EBI Bioorg Med Chem Lett 21: 6322-7 (2011) National Human Genome Research Institute 2D 3D TSV
21958544 31 Indolin-2-one p38a inhibitors III: bioisosteric amide replacement.EBI Bioorg Med Chem Lett 21: 6253-7 (2011) Rhône-Poulenc Rorer 2D 3D TSV
21958540 95 Discovery and optimization of a biphenylacetic acid series of prostaglandin D2 receptor DP2 antagonists with efficacy in a murine model of allergic rhinitis.EBI Bioorg Med Chem Lett 21: 6608-12 (2011) Amira Pharmaceuticals 2D 3D TSV
21958337 54 Discovery of aminobenzyloxyarylamides as¿ opioid receptor selective antagonists: application to preclinical development of a¿ opioid receptor antagonist receptor occupancy tracer.EBI J Med Chem 54: 8000-12 (2011) Lilly Research Laboratories 2D 3D TSV
21958292 7 Synthesis and biochemical evaluation ofd(2)-isoxazoline derivatives as DNA methyltransferase 1 inhibitors.EBI J Med Chem 54: 7663-77 (2011) Universit£ degli Studi di Salerno 2D 3D TSV
21955944 39 Discovery of a series of potent and selective human H4 antagonists using ligand efficiency and libraries to explore structure-activity relationship (SAR).EBI Bioorg Med Chem Lett 21: 6591-5 (2011) Pfizer Inc. 2D 3D TSV
21955943 47 Investigation of the pyrazinones as PDE5 inhibitors: evaluation of regioisomeric projections into the solvent region.EBI Bioorg Med Chem Lett 21: 6348-52 (2011) Pfizer Inc. 2D 3D TSV
21955939 49 Discovery of pyrazoles as novel FPR1 antagonists.EBI Bioorg Med Chem Lett 21: 6456-60 (2011) AstraZeneca 2D 3D TSV
21955456 50 Three-dimensional quantitative structure-activity relationship analyses of substrates of the human proton-coupled amino acid transporter 1 (hPAT1).EBI Bioorg Med Chem 19: 6409-18 (2011) Martin-Luther-University Halle-Wittenberg 2D 3D TSV
21955276 60 Lysine demethylases inhibitors.EBI J Med Chem 54: 8236-50 (2011) Kyoto Prefectural University of Medicine 2D 3D TSV
21955244 17 Optimization of propafenone analogues as antimalarial leads.EBI J Med Chem 54: 7477-85 (2011) St. Jude Children's Research Hospital 2D 3D TSV
21955158 31 Molecular modeling: a search for a calpain inhibitor as a new treatment for cataractogenesis.EBI J Med Chem 54: 7503-22 (2011) University of Canterbury 2D 3D TSV
21950657 50 Discovery of 2-(4-methylfuran-2(5H)-ylidene)malononitrile and thieno[3,2-b]thiophene-2-carboxylic acid derivatives as G protein-coupled receptor 35 (GPR35) agonists.EBI J Med Chem 54: 7385-96 (2011) Corning Inc. 2D 3D TSV
21950613 31 Triazine-based vanilloid 1 receptor open channel blockers: design, synthesis, evaluation, and SAR analysis.EBI J Med Chem 54: 7441-52 (2011) Institut de Qu£mica Avan£ada de Catalunya 2D 3D TSV
21945284 73 Discovery of novel 3,5-disubstituted indole derivatives as potent inhibitors of Pim-1, Pim-2, and Pim-3 protein kinases.EBI Bioorg Med Chem Lett 21: 6366-9 (2011) Novartis Institutes of BioMedical Research 2D 3D TSV
21945251 32 Discovery of a new class of bicyclic substituted hydroxyphenylmethanones as 17ß-hydroxysteroid dehydrogenase type 2 (17ß-HSD2) inhibitors for the treatment of osteoporosis.EBI Eur J Med Chem 47: 1-17 (2012) Saarland University 2D 3D TSV
21945250 5 Synthesis and biological evaluation of novel 2-arylamino-3-(arylsulfonyl)quinoxalines as PI3Ka inhibitors.EBI Eur J Med Chem 46: 5540-8 (2011) Zhejiang University 2D 3D TSV
21944973 31 Design, structure-activity relationship, and highly efficient asymmetric synthesis of 3-phenyl-4-benzylaminopiperidine derivatives as novel neurokinin-1 receptor antagonists.EBI Bioorg Med Chem 19: 6430-46 (2011) Takeda Pharmaceutical Co. Ltd 2D 3D TSV
21944858 12 Identification of novel plasmin inhibitors possessing nitrile moiety as warhead.EBI Bioorg Med Chem Lett 21: 6305-9 (2011) Hiroshima International University 2D 3D TSV
21944856 51 Tetrahydroquinolines as a novel series of nonsteroidal selective androgen receptor modulators: structural requirements for better physicochemical and biological properties.EBI Bioorg Med Chem Lett 21: 6310-3 (2011) Kaken Pharmaceutical Co., Ltd 2D 3D TSV
21944855 30 Synthesis and evaluation of pyridazinone-phenethylamine derivatives as selective and orally bioavailable histamine H3 receptor antagonists with robust wake-promoting activity.EBI Bioorg Med Chem Lett 21: 6362-5 (2011) Cephalon, Inc. 2D 3D TSV
21944854 40 Design, synthesis, and structure-activity relationships of spirolactones bearing 2-ureidobenzothiophene as acetyl-CoA carboxylases inhibitors.EBI Bioorg Med Chem Lett 21: 6314-8 (2011) Takeda Pharmaceutical Company, Ltd 2D 3D TSV
21944853 41 Mepyramine-JNJ7777120-hybrid compounds show high affinity to hH(1)R, but low affinity to hH(4)R.EBI Bioorg Med Chem Lett 21: 6274-80 (2011) University of Regensburg 2D 3D TSV
21944852 79 Substituted indole-1-acetic acids as potent and selective CRTh2 antagonists-discovery of AZD1981.EBI Bioorg Med Chem Lett 21: 6288-92 (2011) AstraZeneca R&D Charnwood 2D 3D TSV
21944381 42 Steroidal C-21 mercapto derivatives as dissociated steroids: discovery of an inhaled dissociated steroid.EBI Bioorg Med Chem Lett 21: 6343-7 (2011) Merck Research Laboratories 2D 3D TSV
21944287 39 Synthesis and biological evaluation of new 3-(6-hydroxyindol-2-yl)-5-(Phenyl) pyridine or pyrazine V-Shaped molecules as kinase inhibitors and cytotoxic agents.EBI Eur J Med Chem 46: 5416-34 (2011) Universit£ d'Orl£ans 2D 3D TSV
21942635 23 Unichiral 2-(2'-pyrrolidinyl)-1,4-benzodioxanes: the 2R,2'S diastereomer of the N-methyl-7-hydroxy analogue is a potenta4ß2- anda6ß2-nicotinic acetylcholine receptor partial agonist.EBI J Med Chem 54: 7588-601 (2011) Universit£ degli Studi di Milano 2D 3D TSV
21942426 113 Discovery of 1-amino-5H-pyrido[4,3-b]indol-4-carboxamide inhibitors of Janus kinase 2 (JAK2) for the treatment of myeloproliferative disorders.EBI J Med Chem 54: 7334-49 (2011) Merck& Co. 2D 3D TSV
21940174 4 A sucrose-derived scaffold for multimerization of bioactive peptides.EBI Bioorg Med Chem 19: 6474-82 (2011) The University of Arizona 2D 3D TSV
21940173 32 Aminomethyltetrazoles as potential inhibitors of the¿-aminobutyric acid transporters mGAT1-mGAT4: synthesis and biological evaluation.EBI Bioorg Med Chem 19: 6492-504 (2011) Ludwig-Maximilians-University Munich 2D 3D TSV
21940167 12 Design and synthesis of a library of chemokine antagonists.EBI Bioorg Med Chem Lett 21: 6249-52 (2011) Novartis Institutes of Biomedical Research 2D 3D TSV
21939219 16 Benzofurans from Styrax agrestis as acetylcholinesterase inhibitors: structure-activity relationships and molecular modeling studies.EBI J Nat Prod 74: 2081-8 (2011) Guangzhou University of Chinese Medicine 2D 3D TSV
21937235 7 Structure-based design of dipeptide derivatives for the human neutral endopeptidase.EBI Bioorg Med Chem 19: 5935-47 (2011) Kao Corporation 2D 3D TSV
21937229 82 Potent and selective 2-naphthylsulfonamide substituted hydroxamic acid inhibitors of matrix metalloproteinase-13.EBI Bioorg Med Chem Lett 21: 6440-5 (2011) Novartis Institutes for Biomedical Research 2D 3D TSV
21937154 9 Asymmetric synthesis and biological evaluation of N-cyclohexyl-4-[1-(2,4-dichlorophenyl)-1-(p-tolyl)methyl]piperazine-1-carboxamide as hCB1 receptor antagonists.EBI Eur J Med Chem 46: 5310-6 (2011) Shanghai Institute of Materia Medica 2D 3D TSV
21937153 46 Recent progress in synthesis and bioactivity studies of indolizines.EBI Eur J Med Chem 46: 5237-57 (2011) University of Botswana 2D 3D TSV
21936542 143 Discovery of 3-(2,6-dichloro-3,5-dimethoxy-phenyl)-1-{6-[4-(4-ethyl-piperazin-1-yl)-phenylamino]-pyrimidin-4-yl}-1-methyl-urea (NVP-BGJ398), a potent and selective inhibitor of the fibroblast growth factor receptor family of receptor tyrosine kinase.EBI J Med Chem 54: 7066-83 (2011) Novartis Institute for BioMedical Research 2D 3D TSV
21936536 7 Synthesis and Toll-like receptor 4 (TLR4) activity of phosphatidylinositol dimannoside analogues.EBI J Med Chem 54: 7268-79 (2011) Industrial Research Limited 2D 3D TSV
21936524 21 Discovery of aryloxy tetramethylcyclobutanes as novel androgen receptor antagonists.EBI J Med Chem 54: 7693-704 (2011) Pfizer Inc. 2D 3D TSV
21930387 60 Pyrazolo[1,5-a]pyrimidines, triazolo[1,5-a]pyrimidines and their tricyclic derivatives as corticotropin-releasing factor 1 (CRF¿?) receptor antagonists.EBI Bioorg Med Chem 19: 5955-66 (2011) Minase Research Institute 2D 3D TSV
21930381 15 Synthesis, pharmacophore modeling and in vitro activity of 10,11-dihydrodibenzo[b,f]oxepine-4-carboxamide derivatives as novel and potent antagonists of the prostaglandin EP4 receptor.EBI Bioorg Med Chem Lett 21: 6336-40 (2011) Rottapharm Madaus 2D 3D TSV
21930380 11 Design, synthesis, and biological evaluation of benzodiazepine-based SUMO-specific protease 1 inhibitors.EBI Bioorg Med Chem Lett 21: 6389-92 (2011) Shanghai Jiao Tong University 2D 3D TSV
21930376 92 Development of a highly selective, orally bioavailable and CNS penetrant M1 agonist derived from the MLPCN probe ML071.EBI Bioorg Med Chem Lett 21: 6451-5 (2011) Vanderbilt University Medical Center 2D 3D TSV
21928839 51 Discovery of two clinical histamine H(3) receptor antagonists: trans-N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinylmethyl)phenyl]cyclobutanecarboxamide (PF-03654746) and trans-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(2-methylpropyl)cyclobutanecarboxamide (PF-03654764).EBI J Med Chem 54: 7602-20 (2011) Pfizer Inc. 2D 3D TSV
21928837 11 Design, synthesis, and biological studies of efficient multivalent melanotropin ligands: tools toward melanoma diagnosis and treatment.EBI J Med Chem 54: 7375-84 (2011) Universit£ P. et M. Curie 2D 3D TSV
21927646 3 Crucial Role of 3-Bromoethyl in Removing the Estrogenic Activity of 17▀-HSD1 Inhibitor 16▀-(m-Carbamoylbenzyl)estradiol.EBI ACS Med Chem Lett 2: 678-681 (2011) TBA 2D 3D TSV
21927645 1 NO-SSRIs: Nitric Oxide Chimera Drugs Incorporating a Selective Serotonin Reuptake Inhibitor.EBI ACS Med Chem Lett 2: 656-661 (2011) TBA 2D 3D TSV
21926995 79 Ligand discovery from a dopamine D3 receptor homology model and crystal structure.BDB Nat Chem Biol 7: 769-78 (2011) University of California San Francisco 2D 3D TSV
21925889 48 The discovery of long-acting saligeninß2 adrenergic receptor agonists incorporating a urea group.EBI Bioorg Med Chem 19: 6026-32 (2011) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
21925887 10 Synthesis and biological evaluation of new opioid agonist and neurokinin-1 antagonist bivalent ligands.EBI Bioorg Med Chem 19: 6135-42 (2011) University of Arizona 2D 3D TSV
21925885 23 Inhibition of steroid sulfatase with 4-substituted estrone and estradiol derivatives.EBI Bioorg Med Chem 19: 5999-6005 (2011) University of Waterloo 2D 3D TSV
21925884 16 Synthesis and antitumor activity of 1,2,4-triazoles having 1,4-benzodioxan fragment as a novel class of potent methionine aminopeptidase type II inhibitors.EBI Bioorg Med Chem 19: 5948-54 (2011) Nanjing University 2D 3D TSV
21925881 60 Discovery of novel Cobactin-T based matrix metalloproteinase inhibitors via a ring closing metathesis strategy.EBI Bioorg Med Chem Lett 21: 6485-90 (2011) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
21925880 14 Fragment based discovery of a novel and selective PI3 kinase inhibitor.EBI Bioorg Med Chem Lett 21: 6586-90 (2011) Pfizer Inc. 2D 3D TSV
21925773 22 Structure-activity relationship and enzyme kinetic studies on 4-aryl-1H-1,2,3-triazoles as indoleamine 2,3-dioxygenase (IDO) inhibitors.EBI Eur J Med Chem 46: 5680-7 (2011) Fudan University 2D 3D TSV
21924903 7 Selectivity of 3'-O-methylponkoranol for inhibition of N- and C-terminal maltase glucoamylase and sucrase isomaltase, potential therapeutics for digestive disorders or their sequelae.EBI Bioorg Med Chem Lett 21: 6491-4 (2011) Simon Fraser University 2D 3D TSV
21924902 43 5-(2'-Pyridyl)-2-aminothiazoles: alkyl amino sulfonamides and sulfamides as potent NPY(5) antagonists.EBI Bioorg Med Chem Lett 21: 6500-4 (2011) Lundbeck Research USA, Inc. 2D 3D TSV
21924801 20 Exploiting the lipoic acid structure in the search for novel multitarget ligands against Alzheimer's disease.EBI Eur J Med Chem 46: 5435-42 (2011) University of Bologna 2D 3D TSV
21924799 38 Design, synthesis and primary activity assay of tripeptidomimetics as histone deacetylase inhibitors with linear linker and branched cap group.EBI Eur J Med Chem 46: 5387-97 (2011) Shandong University 2D 3D TSV
21924611 38 Selective cholinesterase inhibition by lanostane triterpenes from fruiting bodies of Ganoderma lucidum.EBI Bioorg Med Chem Lett 21: 6603-7 (2011) Chungnam National University 2D 3D TSV
21924610 3 Aminothiazoles as¿-secretase modulators.EBI Bioorg Med Chem Lett 21: 6554-8 (2011) F. Hoffmann-La Roche Ltd 2D 3D TSV
21924609 28 Conversion of systemically-distributed triazole-based stearoyl-CoA desaturase (SCD) uHTS hits into liver-targeted SCD inhibitors.EBI Bioorg Med Chem Lett 21: 6505-9 (2011) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
21924608 16 Discovery of spiropiperidine-based potent and selective Orexin-2 receptor antagonists.EBI Bioorg Med Chem Lett 21: 6409-13 (2011) Takeda Pharmaceutical Company 2D 3D TSV
21923198 6 Synthesis of three novel fluorine-18 labeled analogues of L-deprenyl for positron emission tomography (PET) studies of monoamine oxidase B (MAO-B).EBI J Med Chem 54: 7023-9 (2011) Karolinska Institutet 2D 3D TSV
21923190 10 Novel substrate-based inhibitors of human glutamate carboxypeptidase II with enhanced lipophilicity.EBI J Med Chem 54: 7535-46 (2011) Academy of Sciences of the Czech Republic 2D 3D TSV
21923187 5 A new phenylalanine derivative acts as an antagonist at the AMPA receptor GluA2 and introduces partial domain closure: synthesis, resolution, pharmacology, and crystal structure.EBI J Med Chem 54: 7289-98 (2011) University of Copenhagen 2D 3D TSV
21923181 28 Synthesis and study of a series of 3-arylcoumarins as potent and selective monoamine oxidase B inhibitors.EBI J Med Chem 54: 7127-37 (2011) University of Santiago de Compostela 2D 3D TSV
21923175 29 Discovery and optimization of 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives as a novel class of selective cannabinoid CB2 receptor agonists.EBI J Med Chem 54: 7350-62 (2011) Merck Research Laboratories 2D 3D TSV
21923116 40 Discovery of N-(3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indol-6-yl) thiophene-2-carboximidamide as a selective inhibitor of human neuronal nitric oxide synthase (nNOS) for the treatment of pain.EBI J Med Chem 54: 7408-16 (2011) NeurAxon Inc. 2D 3D TSV
21923104 12 HLE-inhibitory alkaloids with a polyketide skeleton from the marine-derived fungus Coniothyrium cereale.EBI J Nat Prod 74: 2282-5 (2011) University of Bonn 2D 3D TSV
21920766 64 Metronidazole acid acyl sulfonamide: a novel class of anticancer agents and potential EGFR tyrosine kinase inhibitors.EBI Bioorg Med Chem 19: 6069-76 (2011) Nanjing University 2D 3D TSV
21920765 12 Lead identification ofß-lactam and related imine inhibitors of the molecular chaperone heat shock protein 90.EBI Bioorg Med Chem 19: 6055-68 (2011) Trinity College 2D 3D TSV
21920764 6 Novel human mPGES-1 inhibitors identified through structure-based virtual screening.EBI Bioorg Med Chem 19: 6077-86 (2011) University of Kentucky 2D 3D TSV
21920761 52 Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors.EBI Bioorg Med Chem 19: 6107-19 (2011) VU University Amsterdam 2D 3D TSV
21920751 39 Challenges of drug discovery in novel target space. The discovery and evaluation of PF-3893787: a novel histamine H4 receptor antagonist.EBI Bioorg Med Chem Lett 21: 6596-602 (2011) Pfizer Inc. 2D 3D TSV
21920748 2 Inhibition of c-Kit, VEGFR-2 (KDR), and ABCG2 by analogues of OSI-930.EBI Bioorg Med Chem Lett 21: 6495-9 (2011) St. John's University 2D 3D TSV
21920746 1 New PDE4 inhibitors based on pharmacophoric similarity between papaverine and tofisopam.EBI Bioorg Med Chem Lett 21: 6567-72 (2011) Universit£ de Strasbourg 2D 3D TSV
21920744 111 Tricyclic aminopyrimidine histamine H4 receptor antagonists.EBI Bioorg Med Chem Lett 21: 6577-81 (2011) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
21920739 14 Synthesis and in vitro evaluation of 7-methoxy-N-(pent-4-enyl)-1,2,3,4-tetrahydroacridin-9-amine-new tacrine derivate with cholinergic properties.EBI Bioorg Med Chem Lett 21: 6563-6 (2011) Charles University in Prague 2D 3D TSV
21919481 114 Discovery and development ofa7 nicotinic acetylcholine receptor modulators.EBI J Med Chem 54: 7943-61 (2011) Targacept, Inc 2D 3D TSV
21917455 15 Discovery of potent, selective, orally active benzoxazepine-based Orexin-2 receptor antagonists.EBI Bioorg Med Chem Lett 21: 6414-6 (2011) Takeda Pharmaceutical Company 2D 3D TSV
21917454 159 Design, synthesis and SAR of indazole and benzoisoxazole containing 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists.EBI Bioorg Med Chem Lett 21: 6042-8 (2011) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
21916510 167 Discovery of potent, selective, and orally bioavailable alkynylphenoxyacetic acid CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases.EBI J Med Chem 54: 7299-317 (2011) Merck Serono S.A. 2D 3D TSV
21916484 41 6-arylcoumarins as novel nonsteroidal type progesterone antagonists: an example with receptor-binding-dependent fluorescence.EBI J Med Chem 54: 7055-65 (2011) Ochanomizu University 2D 3D TSV
21916432 7 Berkeleyones and related meroterpenes from a deep water acid mine waste fungus that inhibit the production of interleukin 1-ß from induced inflammasomes.EBI J Nat Prod 74: 2273-7 (2011) The University of Montana 2D 3D TSV
21916421 68 Discovery of novel selective norepinephrine inhibitors: 1-(2-morpholin-2-ylethyl)-3-aryl-1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxides (WYE-114152).EBI J Med Chem 54: 6824-31 (2011) Pfizer Inc. 2D 3D TSV
21916402 27 Synthesis and structure-activity relationship studies in translocator protein ligands based on a pyrazolo[3,4-b]quinoline scaffold.EBI J Med Chem 54: 7165-75 (2011) Universit£ degli Studi di Siena 2D 3D TSV
21914812 63 Thermodynamic evaluation of ligand binding in the plant-like phosphoethanolamine methyltransferases of the parasitic nematode Haemonchus contortus.BDB J Biol Chem 286: 38060-8 (2011) Washington University 2D 3D TSV
21911297 40 Design, synthesis and biological evaluation of novel 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives as aminopeptidase N/CD13 inhibitors.EBI Bioorg Med Chem 19: 6015-25 (2011) Shan Dong University 2D 3D TSV
21911291 13 Potent inhibition of bacterial neuraminidase activity by pterocarpans isolated from the roots of Lespedeza bicolor.EBI Bioorg Med Chem Lett 21: 6100-3 (2011) Gyeongsang National University 2D 3D TSV
21911290 76 Synthesis and biological evaluation of 1-substituted-3-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazoles as transforming growth factor-ß type 1 receptor kinase inhibitors.EBI Bioorg Med Chem Lett 21: 6049-53 (2011) Ewha Womans University 2D 3D TSV
21908194 88 Does the combination of optimal substitutions at the C²-, N¿?¿- and N¿?¿-positions of the pyrazolo-triazolo-pyrimidine scaffold guarantee selective modulation of the human A3 adenosine receptors?EBI Bioorg Med Chem 19: 6120-34 (2011) National University of Singapore 2D 3D TSV
21908190 15 Design and synthesis of potent, orally-active DGAT-1 inhibitors containing a dioxino[2,3-d]pyrimidine core.EBI Bioorg Med Chem Lett 21: 6122-5 (2011) Pfizer Inc. 2D 3D TSV
21907583 48 CNS and antimalarial activity of synthetic meridianin and psammopemmin analogs.EBI Bioorg Med Chem 19: 5756-62 (2011) University of South Florida 2D 3D TSV
21907579 22 Effect of lipophilicity modulation on inhibition of human rhinovirus capsid binders.EBI Bioorg Med Chem Lett 21: 6031-5 (2011) AstraZeneca 2D 3D TSV
21906954 2 Searching for new NO-donor aspirin-like molecules: Furoxanylacyl derivatives of salicylic acid and related furazans.EBI Bioorg Med Chem 19: 5852-60 (2011) Universit£ degli Studi di Torino 2D 3D TSV
21906953 34 Novel thiophenyl C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents.EBI Bioorg Med Chem 19: 5813-32 (2011) Green Cross Corporation 2D 3D TSV
21906941 94 Synthesis and structure-activity relationships of 4,5-fused pyridazinones as histamine H3 receptor antagonists.EBI Bioorg Med Chem Lett 21: 6126-30 (2011) Cephalon, Inc. 2D 3D TSV
21905739 9 Design, synthesis, and biological evaluation of chromone-based p38 MAP kinase inhibitors.EBI J Med Chem 54: 7427-31 (2011) University of Gothenburg 2D 3D TSV
21905730 20 Design, synthesis, and functionalization of dimeric peptides targeting chemokine receptor CXCR4.EBI J Med Chem 54: 7648-62 (2011) Technische Universit£t M£nchen 2D 3D TSV
21905680 26 Deconstruction of thea4ß2 nicotinic acetylcholine receptor positive allosteric modulator desformylflustrabromine.EBI J Med Chem 54: 7259-67 (2011) Virginia Commonwealth University 2D 3D TSV
21905669 9 Discovery of isoxazole analogues of sazetidine-A as selectivea4ß2-nicotinic acetylcholine receptor partial agonists for the treatment of depression.EBI J Med Chem 54: 7280-8 (2011) University of Illinois at Chicago 2D 3D TSV
21903402 6 Identification of novel small molecule inhibitors of 4-diphosphocytidyl-2-C-methyl-D-erythritol (CDP-ME) kinase of Gram-negative bacteria.EBI Bioorg Med Chem 19: 5886-95 (2011) University of Utah 2D 3D TSV
21903399 26 Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response.EBI Bioorg Med Chem 19: 5803-12 (2011) Kyoto Prefectural University 2D 3D TSV
21903398 88 Exploiting differences in caspase-2 and -3 S2 subsites for selectivity: structure-based design, solid-phase synthesis and in vitro activity of novel substrate-based caspase-2 inhibitors.EBI Bioorg Med Chem 19: 5833-51 (2011) CHDI Management, Inc. 2D 3D TSV
21903392 11 Synthesis and structure-activity relationships of novel substituted 8-amino, 8-thio, and 1,8-pyrazole congeners of antitubercular rifamycin S and rifampin.EBI Bioorg Med Chem Lett 21: 6094-9 (2011) University of Michigan 2D 3D TSV
21903390 79 Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor.EBI Bioorg Med Chem Lett 21: 6188-94 (2011) GlaxoSmithKline R&D 2D 3D TSV
21903387 12 Biological evaluation and docking studies of natural isocoumarins as inhibitors for human kallikrein 5 and 7.EBI Bioorg Med Chem Lett 21: 6112-5 (2011) Universidade Federal do Tri£ngulo Mineiro 2D 3D TSV
21902235 6 Synthesis and biological activity of 2-(3'-hydroxypropylidene)-1a-hydroxy-19-norvitamin D analogues with shortened alkyl side chains.EBI J Med Chem 54: 6832-42 (2011) University of Warsaw 2D 3D TSV
21902230 49 Discovery of potent, orally bioavailable phthalazinone bradykinin B1 receptor antagonists.EBI J Med Chem 54: 7232-46 (2011) Amgen Inc. 2D 3D TSV
21902175 24 Bioactive prenylogous cannabinoid from fiber hemp (Cannabis sativa).EBI J Nat Prod 74: 2019-22 (2011) Universita` del Piemonte Orientale 2D 3D TSV
21899931 27 Synthesis and pharmacological evaluation of indole-based sigma receptor ligands.EBI Eur J Med Chem 46: 5154-61 (2011) The University of Mississippi 2D 3D TSV
21899930 37 Monoamine oxidase inhibition by selected anilide derivatives.EBI Eur J Med Chem 46: 5162-74 (2011) North-West University 2D 3D TSV
21899370 15 SAR and LC/MS studies ofß-lactamic inhibitors of human fatty acid amide hydrolase (hFAAH): evidence of a nonhydrolytic process.EBI J Med Chem 54: 6812-23 (2011) Universit£ catholique de Louvain 2D 3D TSV
21899332 1 P1-substituted symmetry-based human immunodeficiency virus protease inhibitors with potent antiviral activity against drug-resistant viruses.EBI J Med Chem 54: 7094-104 (2011) Abbott Laboratories 2D 3D TSV
21899328 244 Azaxanthene based selective glucocorticoid receptor modulators: design, synthesis, and pharmacological evaluation of (S)-4-(5-(1-((1,3,4-thiadiazol-2-yl)amino)-2-methyl-1-oxopropan-2-yl)-5H-chromeno[2,3-b]pyridin-2-yl)-2-fluoro-N,N-dimethylbenzamide (BMS-776532) and its methylene homologue (BMS-791EBI J Med Chem 54: 7318-33 (2011) Bristol-Myers Squibb Company 2D 3D TSV
21899292 76 Discovery of (+)-N-(3-aminopropyl)-N-[1-(5-benzyl-3-methyl-4-oxo-[1,2]thiazolo[5,4-d]pyrimidin-6-yl)-2-methylpropyl]-4-methylbenzamide (AZD4877), a kinesin spindle protein inhibitor and potential anticancer agent.EBI J Med Chem 54: 6734-50 (2011) AstraZeneca 2D 3D TSV
21895016 41 Structure-based design of pseudopeptidic inhibitors for SIRT1 and SIRT2.EBI J Med Chem 54: 6456-68 (2011) University of Eastern Finland 2D 3D TSV
21890358 30 Isomeric acetoxy analogs of celecoxib and their evaluation as cyclooxygenase inhibitors.EBI Bioorg Med Chem Lett 21: 6074-80 (2011) University of Alberta 2D 3D TSV
21890356 30 Conformationally constrained farnesoid X receptor (FXR) agonists: alternative replacements of the stilbene.EBI Bioorg Med Chem Lett 21: 6154-60 (2011) GlaxoSmithKline 2D 3D TSV
21889349 20 Modeling the molecular basis fora4ß1 integrin antagonism.EBI Bioorg Med Chem 19: 5903-11 (2011) Ian Wark Laboratories 2D 3D TSV
21889344 66 Acylglycinamides as inhibitors of glycine transporter type 1.EBI Bioorg Med Chem Lett 21: 6176-9 (2011) GlaxoSmithKline 2D 3D TSV
21889343 6 The structural requirements of histone deacetylase inhibitors: Suberoylanilide hydroxamic acid analogs modified at the C3 position display isoform selectivity.EBI Bioorg Med Chem Lett 21: 6139-42 (2011) Wayne State University 2D 3D TSV
21889337 17 Inhibition of xc¿?¿ transporter-mediated cystine uptake by sulfasalazine analogs.EBI Bioorg Med Chem Lett 21: 6184-7 (2011) Johns Hopkins University 2D 3D TSV
21889335 27 Synthesis of novel triplet drugs with 1,3,5-trioxazatriquinane skeletons and their pharmacologies. Part 2: Synthesis of novel triplet drugs with the epoxymethano structure (capped homotriplet).EBI Bioorg Med Chem Lett 21: 6198-202 (2011) Kitasato University 2D 3D TSV
21889334 8 Design, synthesis and X-ray crystallographic study of new nonsecosteroidal vitamin D receptor ligands.EBI Bioorg Med Chem Lett 21: 6104-7 (2011) National Institute of Health Sciences 2D 3D TSV
21889333 30 Discovery of potent, metabolically stable purine CRF-1 antagonists with differentiated binding kinetic profiles.EBI Bioorg Med Chem Lett 21: 6108-11 (2011) Pfizer Inc. 2D 3D TSV
21889235 13 Discovery of gemfibrozil analogues that activate PPARa and enhance the expression of gene CPT1A involved in fatty acids catabolism.EBI Eur J Med Chem 46: 5218-24 (2011) Universit£ degli Studi G. d'Annunzio 2D 3D TSV
21888439 7 Design and synthesis of inhaled p38 inhibitors for the treatment of chronic obstructive pulmonary disease.EBI J Med Chem 54: 7797-814 (2011) Pfizer Inc. 2D 3D TSV
21888437 20 Chiral indolo[3,2-f][3]benzazecine-type dopamine receptor antagonists: synthesis and activity of racemic and enantiopure derivatives.EBI J Med Chem 54: 7422-6 (2011) Martin Luther Universit£t Halle-Wittenberg 2D 3D TSV
21885288 109 Design and synthesis of new prostaglandin D2 receptor antagonists.EBI Bioorg Med Chem 19: 5361-71 (2011) Minase Research Institute 2D 3D TSV
21885287 26 Biochemical characterization of a novel type-II VEGFR2 kinase inhibitor: comparison of binding to non-phosphorylated and phosphorylated VEGFR2.EBI Bioorg Med Chem 19: 5342-51 (2011) Takeda Pharmaceutical Company Ltd 2D 3D TSV
21885279 31 Sulfonamides as selective oestrogen receptorß agonists.EBI Bioorg Med Chem Lett 21: 5680-3 (2011) Pfizer Inc. 2D 3D TSV
21885277 34 Discovery of a highly potent series of TLR7 agonists.EBI Bioorg Med Chem Lett 21: 5939-43 (2011) Pfizer Inc. 2D 3D TSV
21885275 65 Discovery of PF-184563, a potent and selective V1a antagonist for the treatment of dysmenorrhoea. The influence of compound flexibility on microsomal stability.EBI Bioorg Med Chem Lett 21: 5684-7 (2011) Pfizer Inc. 2D 3D TSV
21885167 3 Novel indole and azaindole (pyrrolopyridine) cannabinoid (CB) receptor agonists: design, synthesis, structure-activity relationships, physicochemical properties and biological activity.EBI Eur J Med Chem 46: 5086-98 (2011) Abbott Healthcare Products B.V. 2D 3D TSV
21882832 116 Synthesis and biological evaluation of novel analogues of the pan class I phosphatidylinositol 3-kinase (PI3K) inhibitor 2-(difluoromethyl)-1-[4,6-di(4-morpholinyl)-1,3,5-triazin-2-yl]-1H-benzimidazole (ZSTK474).EBI J Med Chem 54: 7105-26 (2011) University of Auckland 2D 3D TSV
21882827 39 The development of N-a-(2-carboxyl)benzoyl-N(5)-(2-fluoro-1-iminoethyl)-l-ornithine amide (o-F-amidine) and N-a-(2-carboxyl)benzoyl-N(5)-(2-chloro-1-iminoethyl)-l-ornithine amide (o-Cl-amidine) as second generation protein arginine deiminase (PAD) inhibitors.EBI J Med Chem 54: 6919-35 (2011) The Scripps Research Institute 2D 3D TSV
21882820 72 Small molecule receptor protein tyrosine phosphatase¿ (RPTP¿) ligands that inhibit phosphatase activity via perturbation of the tryptophan-proline-aspartate (WPD) loop.EBI J Med Chem 54: 6548-62 (2011) Bristol-Myers Squibb Research and Development 2D 3D TSV
21880720 5 2-thioxanthines are mechanism-based inactivators of myeloperoxidase that block oxidative stress during inflammation.BDB J Biol Chem 286: 37578-89 (2011) AstraZeneca R&D 2D 3D TSV
21880707 6 Hydrolytic mechanism of OXA-58 enzyme, a carbapenem-hydrolyzing class D ╬▓-lactamase from Acinetobacter baumannii.BDB J Biol Chem 286: 37292-303 (2011) York University 2D 3D TSV
21880495 5 Chemical modifications of resveratrol for improved protein kinase C alpha activity.EBI Bioorg Med Chem 19: 5321-33 (2011) University of Houston 2D 3D TSV
21880490 23 Synthesis and acrosin inhibitory activities of substituted ethyl 5-(4-aminophenyl)-1H-pyrazole-3-carboxylate derivatives.EBI Bioorg Med Chem Lett 21: 5822-5 (2011) Second Military Medical University 2D 3D TSV
21880489 15 Design and synthesis of long acting inhaled corticosteroids for the treatment of asthma.EBI Bioorg Med Chem Lett 21: 5826-30 (2011) Pfizer Inc. 2D 3D TSV
21880487 21 Conformationally constrained analogs of BAY 59-3074 as novel cannabinoid receptor ligands.EBI Bioorg Med Chem Lett 21: 5999-6002 (2011) Northeastern University 2D 3D TSV
21880486 11 Discovery of inhibitors of plasminogen activator inhibitor-1: structure-activity study of 5-nitro-2-phenoxybenzoic acid derivatives.EBI Bioorg Med Chem Lett 21: 5701-6 (2011) Zydus Research Centre 2D 3D TSV
21880399 35 Biophysical and physicochemical methods differentiate highly ligand-efficient human D-amino acid oxidase inhibitors.EBI Eur J Med Chem 46: 4808-19 (2011) Abbott Healthcare Products B.V. 2D 3D TSV
21879757 2 Synthesis, biological, and antitumor activity of a highly potent 6-substituted pyrrolo[2,3-d]pyrimidine thienoyl antifolate inhibitor with proton-coupled folate transporter and folate receptor selectivity over the reduced folate carrier that inhibits b-glycinamide ribonucleotide formyltransferase.EBI J Med Chem 54: 7150-64 (2011) Duquesne University 2D 3D TSV
21875808 31 Synthesis and pharmacological evaluation of 1-alkyl-N-[2-ethyl-2-(4-fluorophenyl)butyl]piperidine-4-carboxamide derivatives as novel antihypertensive agents.EBI Bioorg Med Chem 19: 5628-38 (2011) Astellas Pharma Inc. 2D 3D TSV
21875805 5 Synthesis of a new trifluoromethylketone analogue of l-arginine and contrasting inhibitory activity against human arginase I and histone deacetylase 8.EBI Bioorg Med Chem Lett 21: 5854-8 (2011) Drexel University 2D 3D TSV
21875802 33 Lead generation of heat shock protein 90 inhibitors by a combination of fragment-based approach, virtual screening, and structure-based drug design.EBI Bioorg Med Chem Lett 21: 5778-83 (2011) Chugai Pharmaceutical Co., Ltd 2D 3D TSV
21875798 30 Towards rational design of cannabinoid receptor 1 (CB1) antagonists for peripheral selectivity.EBI Bioorg Med Chem Lett 21: 5711-4 (2011) RTI International 2D 3D TSV
21875796 24 2,5-Disubstituted-1,3,4-oxadiazoles/thiadiazole as surface recognition moiety: design and synthesis of novel hydroxamic acid based histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 21: 5735-8 (2011) Guru Ghasidas University 2D 3D TSV
21875063 3 Quinoline antimalarials containing a dibemethin group are active against chloroquinone-resistant Plasmodium falciparum and inhibit chloroquine transport via the P. falciparum chloroquine-resistance transporter (PfCRT).EBI J Med Chem 54: 6956-68 (2011) University of Cape Town 2D 3D TSV
21874153 54 Effect of Inhibiting Histone Deacetylase with Short-Chain Carboxylic Acids and Their Hydroxamic Acid Analogs on Vertebrate Development and Neuronal Chromatin.EBI ACS Med Chem Lett 2: 39-42 (2011) Broad Institute of Harvard and MIT 2D 3D TSV
21873071 34 5a-Carba-ß-D-glucopyranose derivatives as novel sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes.EBI Bioorg Med Chem 19: 5334-41 (2011) Chugai Pharmaceutical Co., Ltd 2D 3D TSV
21873070 29 SAR studies of acidic dual¿-secretase/PPAR¿ modulators.EBI Bioorg Med Chem 19: 5372-82 (2011) Goethe-University Frankfurt 2D 3D TSV
21873061 34 Synthesis and structure-activity relationship of 4-quinolone-3-carboxylic acid based inhibitors of glycogen synthase kinase-3ß.EBI Bioorg Med Chem Lett 21: 5948-51 (2011) ActivX Biosciences, Inc. 2D 3D TSV
21873057 13 Potent and novel 11ß-HSD1 inhibitors identified from shape and docking based virtual screening.EBI Bioorg Med Chem Lett 21: 5739-44 (2011) Shanghai Pharmaceutical Holding Co. Ltd 2D 3D TSV
21873056 50 Development of 2-substituted-N-(naphth-1-ylmethyl) and N-benzhydrylpyrimidin-4-amines as dual cholinesterase and Aß-aggregation inhibitors: Synthesis and biological evaluation.EBI Bioorg Med Chem Lett 21: 5881-7 (2011) University of Waterloo 2D 3D TSV
21873053 5 Improved synthesis and biological evaluation of chelator-modifieda-MSH analogs prepared by copper-free click chemistry.EBI Bioorg Med Chem Lett 21: 5757-61 (2011) The University of Iowa 2D 3D TSV
21873051 31 Discovery of BI 99179, a potent and selective inhibitor of type I fatty acid synthase with central exposure.EBI Bioorg Med Chem Lett 21: 5924-7 (2011) Boehringer Ingelheim Pharma GmbH& Co. KG 2D 3D TSV
21873050 6 Identification of novel BRAF kinase inhibitors with structure-based virtual screening.EBI Bioorg Med Chem Lett 21: 5753-6 (2011) Sejong University 2D 3D TSV
21872477 43 Fluorinated cannabinoid CB2 receptor ligands: synthesis and in vitro binding characteristics of 2-oxoquinoline derivatives.EBI Bioorg Med Chem 19: 5698-707 (2011) The University of Texas 2D 3D TSV
21872367 2 Discovery of a new class of HMG-CoA reductase inhibitor from Polyalthia longifolia as potential lipid lowering agent.EBI Eur J Med Chem 46: 5206-11 (2011) Central Drug Research Institute (CSIR) 2D 3D TSV
21872365 54 Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives.EBI Eur J Med Chem 46: 4846-52 (2011) Universit£ degli Studi di Roma Sapienza 2D 3D TSV
21871798 39 Bicyclic heteroaryl inhibitors of stearoyl-CoA desaturase: from systemic to liver-targeting inhibitors.EBI Bioorg Med Chem Lett 21: 5692-6 (2011) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
21871797 33 Effects of linker elongation in a series of N-(2-benzofuranylmethyl)-N'-(methoxyphenylalkyl)piperazines¿? receptor ligands.EBI Bioorg Med Chem Lett 21: 5707-10 (2011) The University of Sydney 2D 3D TSV
21871695 46 Synthesis and biological activity of pyrido[3',2':4,5]furo[3,2-d]pyrimidine derivatives as novel and potent phosphodiesterase type 4 inhibitors.EBI Eur J Med Chem 46: 4946-56 (2011) Rhône-Poulenc Rorer 2D 3D TSV
21871694 28 Hybrids of oxoisoaporphine-tacrine congeners: novel acetylcholinesterase and acetylcholinesterase-inducedß-amyloid aggregation inhibitors.EBI Eur J Med Chem 46: 4970-9 (2011) Guangxi Normal University 2D 3D TSV
21870878 61 Inhalation by design: novel tertiary amine muscarinic M3 receptor antagonists with slow off-rate binding kinetics for inhaled once-daily treatment of chronic obstructive pulmonary disease.EBI J Med Chem 54: 6888-904 (2011) Pfizer Inc. 2D 3D TSV
21870877 119 Synthesis and characterization of high-affinity 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene-labeled fluorescent ligands for humanß-adrenoceptors.EBI J Med Chem 54: 6874-87 (2011) University of Nottingham 2D 3D TSV
21870874 30 Synthesis, biological evaluation, and automated docking of constrained analogues of the opioid peptide H-Dmt-D-Ala-Phe-Gly-NH2 using the 4- or 5-methyl substituted 4-amino-1,2,4,5-tetrahydro-2-benzazepin-3-one scaffold.EBI J Med Chem 54: 6538-47 (2011) Vrije Universiteit Brussel 2D 3D TSV
21870828 1 Actinopolysporins A-C and tubercidin as a Pdcd4 stabilizer from the halophilic actinomycete Actinopolyspora erythraea YIM 90600.EBI J Nat Prod 74: 1990-5 (2011) Yunnan University 2D 3D TSV
21870818 15 Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.BDB Biochemistry 50: 8478-88 (2011) Venetian Institute of Molecular Medicine 2D 3D TSV
21870805 4 Substrate specificity of Sphingobium chlorophenolicum 2,6-dichlorohydroquinone 1,2-dioxygenase.BDB Biochemistry 50: 8899-913 (2011) Whitman College 2D 3D TSV
21868239 15 Novel macrocyclic C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents.EBI Bioorg Med Chem 19: 5468-79 (2011) Green Cross Corporation 2D 3D TSV
21868220 17 Exploration of pyridine containing heteroaryl analogs of biaryl ureas as DGAT1 inhibitors.EBI Bioorg Med Chem Lett 21: 5812-7 (2011) Piramal Life Sciences Limited 2D 3D TSV
21868137 69 Pyrazol-3-propanoic acid derivatives as novel inhibitors of leukotriene biosynthesis in human neutrophils.EBI Eur J Med Chem 46: 5021-33 (2011) Gazi University 2D 3D TSV
21867920 46 Mechanisms of Osteoclastogenesis Inhibition by a Novel Class of Biphenyl-Type Cannabinoid CB(2) Receptor Inverse Agonists.BDB Chem Biol 18: 1053-64 (2011) University of Bern 2D 3D TSV
21867918 4 Targeting MgrA-Mediated Virulence Regulation in Staphylococcus aureus.BDB Chem Biol 18: 1032-41 (2011) The University of Chicago 2D 3D TSV
21866961 28 Selective water-soluble gelatinase inhibitor prodrugs.EBI J Med Chem 54: 6676-90 (2011) University of Notre Dame 2D 3D TSV
21866910 66 N'-(arylsulfonyl)pyrazoline-1-carboxamidines as novel, neutral 5-hydroxytryptamine 6 receptor (5-HT6R) antagonists with unique structural features.EBI J Med Chem 54: 7030-54 (2011) Abbott Healthcare Products B.V. 2D 3D TSV
21866885 71 Structural determinants of opioid and NOP receptor activity in derivatives of buprenorphine.EBI J Med Chem 54: 6531-7 (2011) University of Bath 2D 3D TSV
21865048 29 2-({6-[(3R)-3-amino-3-methylpiperidine-1-yl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidine-5-yl}methyl)-4-fluorobenzonitrile (DSR-12727): a potent, orally active dipeptidyl peptidase IV inhibitor without mechanism-based inactivation of CYP3A.EBI Bioorg Med Chem 19: 5490-9 (2011) Dainippon Sumitomo Pharma Co. Ltd 2D 3D TSV
21865047 48 6,7-Dihydro-5H-cyclopenta[d]pyrazolo[1,5-a]pyrimidines and their derivatives as novel corticotropin-releasing factor 1 receptor antagonists.EBI Bioorg Med Chem 19: 5432-45 (2011) Minase Research Institute 2D 3D TSV
21864951 6 Derivatives of pyrrolo[3,4-d]pyridazinone, a new class of analgesic agents.EBI Eur J Med Chem 46: 4992-9 (2011) Wroclaw Medical University 2D 3D TSV
21863889 20 4-benzimidazolyl-3-phenylbutanoic acids as novel PIF-pocket-targeting allosteric inhibitors of protein kinase PKC¿.EBI J Med Chem 54: 6714-23 (2011) Saarland University 2D 3D TSV
21863888 9 Efficient conversion of a nonselective norepinephrin reuptake inhibitor into a dual muscarinic antagonist-ß2-agonist for the treatment of chronic obstructive pulmonary disease.EBI J Med Chem 54: 6998-7002 (2011) Pfizer Inc. 2D 3D TSV
21863799 44 Cyclopentane-1,3-dione: a novel isostere for the carboxylic acid functional group. Application to the design of potent thromboxane (A2) receptor antagonists.EBI J Med Chem 54: 6969-83 (2011) University of Pennsylvania 2D 3D TSV
21862338 6 Assessment of dopamine D¿? receptor affinity and efficacy of three tetracyclic conformationally-restricted analogs of SKF38393.EBI Bioorg Med Chem 19: 5420-31 (2011) Purdue University 2D 3D TSV
21862336 9 Synthesis and glycosidase inhibitory profiles of functionalised morpholines and oxazepanes.EBI Bioorg Med Chem 19: 5679-92 (2011) University of Reading 2D 3D TSV
21862335 43 N-(1,3-Diaryl-3-oxopropyl)amides as a new template for xanthine oxidase inhibitors.EBI Bioorg Med Chem 19: 5569-76 (2011) Indo-Soviet Friendship College of Pharmacy 2D 3D TSV
21862328 26 Identification and SAR of a new series of thieno[3,2-d]pyrimidines as Tpl2 kinase inhibitors.EBI Bioorg Med Chem Lett 21: 5952-6 (2011) Pfizer Inc. 2D 3D TSV
21859103 21 Novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2): crystal structures, biochemical activity, and intracellular effects of imidazoacridin-6-ones.EBI J Med Chem 54: 6597-611 (2011) University of Manchester 2D 3D TSV
21859099 57 Optimization of (arylpiperazinylbutyl)oxindoles exhibiting selective 5-HT7 receptor antagonist activity.EBI J Med Chem 54: 6657-69 (2011) EGIS Pharmaceuticals Plc. 2D 3D TSV
21859094 61 2,7-disubstituted-pyrrolo[2,1-f][1,2,4]triazines: new variant of an old template and application to the discovery of anaplastic lymphoma kinase (ALK) inhibitors with in vivo antitumor activity.EBI J Med Chem 54: 6328-41 (2011) Cephalon, Inc. 2D 3D TSV
21859078 62 Combination of two pharmacophoric systems: synthesis and pharmacological evaluation of spirocyclic pyranopyrazoles with highs1 receptor affinity.EBI J Med Chem 54: 6704-13 (2011) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
21858244 62 Truncated (N)-Methanocarba Nucleosides as A(1) Adenosine Receptor Agonists and Partial Agonists: Overcoming Lack of a Recognition Element.EBI ACS Med Chem Lett 2: 626-631 (2011) TBA 2D 3D TSV
21856163 92 Discovery, synthesis, and structure-activity relationship of 6-aminomethyl-7,8-dihydronaphthalenes as human melanin-concentrating hormone receptor 1 antagonists.EBI Bioorg Med Chem 19: 5539-52 (2011) Takeda Pharmaceutical Company Limited 2D 3D TSV
21856161 34 De novo design, synthesis and biological evaluation of 1,4-dihydroquinolin-4-ones and 1,2,3,4-tetrahydroquinazolin-4-ones as potent kinesin spindle protein (KSP) inhibitors.EBI Bioorg Med Chem 19: 5612-27 (2011) China Pharmaceutical University 2D 3D TSV
21856155 45 Identification of potent c-Src inhibitors strongly affecting the proliferation of human neuroblastoma cells.EBI Bioorg Med Chem Lett 21: 5928-33 (2011) University of Siena 2D 3D TSV
21856049 8 Overcoming human P-glycoprotein-dependent multidrug resistance with novel dihydro-ß-agarofuran sesquiterpenes.EBI Eur J Med Chem 46: 4915-23 (2011) Instituto Universitario de Bio-Org£nica Antonio Gonz£lez 2D 3D TSV
21855358 1 Inhibition of LuxS by S-ribosylhomocysteine analogues containing a [4-aza]ribose ring.EBI Bioorg Med Chem 19: 5507-19 (2011) Florida International University 2D 3D TSV
21855356 3 Development and characterization of improvedß-lactone-based anti-virulence drugs targeting ClpP.EBI Bioorg Med Chem 20: 583-91 (2012) Technische Universit£t M£nchen 2D 3D TSV
21855351 14 Synthesis and characterization of tritylthioethanamine derivatives with potent KSP inhibitory activity.EBI Bioorg Med Chem 19: 5446-53 (2011) New Mexico State University 2D 3D TSV
21855349 6 Substituted lactam and cyclic azahemiacetals modulate Pseudomonas aeruginosa quorum sensing.EBI Bioorg Med Chem 19: 5500-6 (2011) Florida International University 2D 3D TSV
21855338 1 Discovery of potent and novel S-nitrosoglutathione reductase inhibitors devoid of cytochrome P450 activities.EBI Bioorg Med Chem Lett 21: 5849-53 (2011) N30 Pharmaceuticals LLC 2D 3D TSV
21855337 3 Design and evaluation of a novel fluorescent CB2 ligand as probe for receptor visualization in immune cells.EBI Bioorg Med Chem Lett 21: 5859-62 (2011) University of Montana 2D 3D TSV
21855335 185 Discovery of novel imidazo[1,2-a]pyrazin-8-amines as Brk/PTK6 inhibitors.EBI Bioorg Med Chem Lett 21: 5870-5 (2011) Merck Research Laboratories 2D 3D TSV
21855333 2 Ursolic acid is a PPAR-a agonist that regulates hepatic lipid metabolism.EBI Bioorg Med Chem Lett 21: 5876-80 (2011) Korea University 2D 3D TSV
21854074 40 Identification of a potent and selective free fatty acid receptor 1 (FFA1/GPR40) agonist with favorable physicochemical and in vitro ADME properties.EBI J Med Chem 54: 6691-703 (2011) University of Southern Denmark 2D 3D TSV
21852133 68 Phenylethynylbenzenesulfonamide regioisomers strongly and selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic isoforms I and II.EBI Bioorg Med Chem Lett 21: 5892-6 (2011) University of Alberta 2D 3D TSV
21852130 69 Discovery and characterization of potent and selective 4-oxo-4-(5-(5-phenyl-1,2,4-oxadiazol-3-yl)indolin-1-yl)butanoic acids as S1P¿? agonists.EBI Bioorg Med Chem Lett 21: 6013-8 (2011) Arena Pharmaceuticals 2D 3D TSV
21852129 85 Identification of 5,6-substituted 4-aminothieno[2,3-d]pyrimidines as LIMK1 inhibitors.EBI Bioorg Med Chem Lett 21: 5992-4 (2011) The Walter and Eliza Hall Institute of Medical Research 2D 3D TSV
21852128 11 RGD mimetics containing phthalimidine fragment as novel ligands of fibrinogen receptor.EBI Bioorg Med Chem Lett 21: 5971-4 (2011) A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine 2D 3D TSV
21851212 7 Effects of some drugs on human cord blood erythrocyte carbonic anhydrases I and II: an in vitro study.BDB J Enzyme Inhib Med Chem 27: 641-5 (2012) Erzincan University 2D 3D TSV
21851094 92 Targeting hypoxic tumor cell viability with carbohydrate-based carbonic anhydrase IX and XII inhibitors.EBI J Med Chem 54: 6905-18 (2011) Griffith University 2D 3D TSV
21851087 88 Dihydroquinazolines as a novel class of Trypanosoma brucei trypanothione reductase inhibitors: discovery, synthesis, and characterization of their binding mode by protein crystallography.EBI J Med Chem 54: 6514-30 (2011) University of Dundee 2D 3D TSV
21851064 3 Virtual screening targeting the urokinase receptor, biochemical and cell-based studies, synthesis, pharmacokinetic characterization, and effect on breast tumor metastasis.EBI J Med Chem 54: 7193-205 (2011) Indiana University School of Medicine 2D 3D TSV
21851057 30 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands.EBI J Med Chem 54: 6761-70 (2011) University of Oxford 2D 3D TSV
21849222 50 Discovery and kinetic evaluation of 6-substituted 4-benzylthio-1,3,5-triazin-2(1H)-ones as inhibitors of cathepsin B.EBI Eur J Med Chem 46: 4648-56 (2011) University of Ljubljana 2D 3D TSV
21848665 9 Synthesis and in vitro Evaluation of Novel Indole-Based Sigma Receptors Ligands.BDB Chem Biol Drug Des 78: 869-75 (2011) Yeditepe University 2D 3D TSV
21846203 22 Synthesis and characterization of novel dioxoacridine sulfonamide derivatives as new carbonic anhydrase inhibitors.BDB J Enzyme Inhib Med Chem 27: 509-14 (2012) Dumlupinar University 2D 3D TSV
21846139 12 Inhibitors of androgen receptor activation function-2 (AF2) site identified through virtual screening.EBI J Med Chem 54: 6197-205 (2011) University of British Columbia 2D 3D TSV
21846089 12 Anti-inflammatory endiandric acid analogues from the roots of Beilschmiedia tsangii.EBI J Nat Prod 74: 1875-80 (2011) Kaohsiung Medical University 2D 3D TSV
21843945 36 A novel amino-benzosuberone derivative is a picomolar inhibitor of mammalian aminopeptidase N/CD13.EBI Bioorg Med Chem 19: 5716-33 (2011) Universit£ de Haute Alsace 2D 3D TSV
21843941 40 Pyrrolidin-3-yl-N-methylbenzamides as potent histamine 3 receptor antagonists.EBI Bioorg Med Chem Lett 21: 5957-60 (2011) Pfizer Inc. 2D 3D TSV
21843937 31 Synthesis and biological evaluation of 4-piperidinecarboxylate and 4-piperidinecyanide derivatives for T-type calcium channel blockers.EBI Bioorg Med Chem Lett 21: 5910-5 (2011) Korea Institute of Science and Technology 2D 3D TSV
21843936 35 3D QSAR and docking study of flavone derivatives as potent inhibitors of influenza H1N1 virus neuraminidase.EBI Bioorg Med Chem Lett 21: 5964-70 (2011) Chinese Academy of Medical Sciences 2D 3D TSV
21843935 2 Inhibition of COX-1 activity and COX-2 expression by 3-(4'-geranyloxy-3'-methoxyphenyl)-2-trans propenoic acid and its semi-synthetic derivatives.EBI Bioorg Med Chem Lett 21: 5995-8 (2011) Universit£ 'G. D'Annunzio' di Chieti-Pescara 2D 3D TSV
21841963 13 Agonists for the Chemokine Receptor CXCR4.EBI ACS Med Chem Lett 2: 597-602 (2011) TBA 2D 3D TSV
21840994 3 Mechanistic analysis of trehalose synthase from Mycobacterium smegmatis.BDB J Biol Chem 286: 35601-9 (2011) University of British Columbia 2D 3D TSV
21840723 50 The structure-activity relationship of urea derivatives as anti-tuberculosis agents.EBI Bioorg Med Chem 19: 5585-95 (2011) St. Jude Children's Research Hospital 2D 3D TSV
21840712 7 Cracking the molecular weight barrier: fragment screening of an aminotransferase using an NMR-based functional assay.EBI Bioorg Med Chem Lett 21: 5248-50 (2011) Abbott Laboratories 2D 3D TSV
21840711 11 Synthesis of various 3-nitropropionamides as Mycobacterium tuberculosis isocitrate lyase inhibitor.EBI Bioorg Med Chem Lett 21: 5149-54 (2011) Institute of Technology and Science-Pilani 2D 3D TSV
21840218 62 Structure-based optimization of potent 4- and 6-azaindole-3-carboxamides as renin inhibitors.EBI Bioorg Med Chem Lett 21: 5480-6 (2011) Deutschland GmbH 2D 3D TSV
21840217 22 Discovery of amide replacements that improve activity and metabolic stability of a bis-amide smoothened antagonist hit.EBI Bioorg Med Chem Lett 21: 5206-9 (2011) Amgen Inc. 2D 3D TSV
21840215 51 Structure-based design and optimization of potent renin inhibitors on 5- or 7-azaindole-scaffolds.EBI Bioorg Med Chem Lett 21: 5487-92 (2011) Sanofi-Aventis Deutschland GmbH 2D 3D TSV
21839641 2 DNA site-specific N3-adenine methylation targeted to estrogen receptor-positive cells.EBI Bioorg Med Chem 19: 5093-102 (2011) University of North Carolina Wilmington 2D 3D TSV
21838328 35 Synthesis and biological evaluation of 3-(1H-imidazol- and triazol-1-yl)-2,2-dimethyl-3-[4-(naphthalen-2-ylamino)phenyl]propyl derivatives as small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26).EBI J Med Chem 54: 6803-11 (2011) Cardiff University 2D 3D TSV
21838322 37 Discovery of a brain-penetrant S1P3-sparing direct agonist of the S1P¿? and S1P5 receptors efficacious at low oral dose.EBI J Med Chem 54: 6724-33 (2011) GlaxoSmithKline 2D 3D TSV
21835616 41 The discovery of benzanilides as c-Met receptor tyrosine kinase inhibitors by a directed screening approach.EBI Bioorg Med Chem Lett 21: 5224-9 (2011) AstraZeneca 2D 3D TSV
21835615 165 New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: exploring the S2' region.EBI Bioorg Med Chem Lett 21: 5164-70 (2011) Pfizer Inc. 2D 3D TSV
21835510 14 Homology modeling in tandem with 3D-QSAR analyses: a computational approach to depict the agonist binding site of the human CB2 receptor.EBI Eur J Med Chem 46: 4489-505 (2011) Universit£ di Genova 2D 3D TSV
21831639 32 Discovery process and pharmacological characterization of a novel dual orexin 1 and orexin 2 receptor antagonist useful for treatment of sleep disorders.EBI Bioorg Med Chem Lett 21: 5562-7 (2011) GlaxoSmithKline Medicine Research Centre 2D 3D TSV
21831637 52 Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines.EBI Bioorg Med Chem Lett 21: 5171-6 (2011) Trius Therapeutics, San Diego, CA 92121, United States. 2D 3D TSV
21831636 75 Pantolactams as androgen receptor antagonists for the topical suppression of sebum production.EBI Bioorg Med Chem Lett 21: 5230-3 (2011) Pfizer Inc. 2D 3D TSV
21831635 18 Synthesis and evaluation of quinazolin-4-ones as hypoxia-inducible factor-1a inhibitors.EBI Bioorg Med Chem Lett 21: 5239-43 (2011) National Human Genome Research Institute 2D 3D TSV
21827363 20 Definition of peptide inhibitors from a synthetic peptide library by targeting gelatinase B/matrix metalloproteinase-9 (MMP-9) and TNF-a converting enzyme (TACE/ADAM-17).BDB J Enzyme Inhib Med Chem 27: 533-40 (2012) China Pharmaceutical University 2D 3D TSV
21827183 32 Sesterterpenes from the tropical sponge Coscinoderma sp.EBI J Nat Prod 74: 1805-11 (2011) Seoul National University 2D 3D TSV
21824780 71 Discovery of a novel series of selective HCN1 blockers.EBI Bioorg Med Chem Lett 21: 5197-201 (2011) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
21824779 67 Design and synthesis of novel amide AKT1 inhibitors with selectivity over CDK2.EBI Bioorg Med Chem Lett 21: 5191-6 (2011) Amgen Inc. 2D 3D TSV
21824777 12 Characteristic of alkylated chalcones from Angelica keiskei on influenza virus neuraminidase inhibition.EBI Bioorg Med Chem Lett 21: 5602-4 (2011) Korea Research Institute of Bioscience and Biotechnology 2D 3D TSV
21824776 31 Amine-constrained pyridazinone histamine H3 receptor antagonists.EBI Bioorg Med Chem Lett 21: 5543-6 (2011) Cephalon Inc. 2D 3D TSV
21824775 6 Substitution of the phosphonic acid and hydroxamic acid functionalities of the DXR inhibitor FR900098: an attempt to improve the activity against Mycobacterium tuberculosis.EBI Bioorg Med Chem Lett 21: 5403-7 (2011) Uppsala University 2D 3D TSV
21824774 17 Synthesis and biological activity of a novel class nicotinic acetylcholine receptors (nAChRs) ligands structurally related to anatoxin-a.EBI Bioorg Med Chem Lett 21: 5423-7 (2011) University of Ferrara 2D 3D TSV
21824773 46 1,6-Disubstituted indole derivatives as selective human neuronal nitric oxide synthase inhibitors.EBI Bioorg Med Chem Lett 21: 5234-8 (2011) NeurAxon Inc. 2D 3D TSV
21824692 53 Tertiary amides with a five-membered heteroaromatic ring as new probes for the translocator protein.EBI Eur J Med Chem 46: 4506-20 (2011) Universit£ di Napoli Federico II 2D 3D TSV
21823617 58 9-substituted 6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazoles as highly selective and potent anaplastic lymphoma kinase inhibitors.EBI J Med Chem 54: 6286-94 (2011) Chugai Pharmaceutical Co., Ltd. 2D 3D TSV
21823616 1 Identification and characterization of a novel integrin-linked kinase inhibitor.EBI J Med Chem 54: 6364-74 (2011) The Ohio State University 2D 3D TSV
21823597 373 Design and synthesis of novel arylpiperazine derivatives containing the imidazole core targeting 5-HT(2A) receptor and 5-HT transporter.EBI J Med Chem 54: 6305-18 (2011) Green Cross Corporation 2D 3D TSV
21821421 8 Halogen-substituted (C-ß-D-glucopyranosyl)-hydroquinone regioisomers: synthesis, enzymatic evaluation and their binding to glycogen phosphorylase.EBI Bioorg Med Chem 19: 5125-36 (2011) National Hellenic Research Foundation 2D 3D TSV
21821420 1 Synthesis and in vivo evaluation of [O-methyl-11C] N-[3,5-dichloro-2-(methoxy)phenyl]-4-(methoxy)-3-(1-piperazinyl)benzenesulfonamide as an imaging probe for 5-HT6 receptors.EBI Bioorg Med Chem 19: 5255-9 (2011) Columbia University Medical Center 2D 3D TSV
21821413 65 Synthesis of rhodamine B-benzenesulfonamide conjugates and their inhibitory activity against humana- and bacterial/fungalß-carbonic anhydrases.EBI Bioorg Med Chem Lett 21: 5210-3 (2011) Ecole Nationale Sup£rieure de Chimie de Montpellier 2D 3D TSV
21820898 12 The natural product CCR5 antagonist anibamine and its analogs as anti-prostate cancer agents.EBI Bioorg Med Chem Lett 21: 5159-63 (2011) Virginia Commonwealth University 2D 3D TSV
21820769 20 Biphenyl-3-yl alkylcarbamates as fatty acid amide hydrolase (FAAH) inhibitors: steric effects of N-alkyl chain on rat plasma and liver stability.EBI Eur J Med Chem 46: 4466-73 (2011) Universit£ degli Studi di Parma 2D 3D TSV
21820216 75 Carbonic anhydrase inhibitors. Synthesis, molecular structures, and inhibition of the human cytosolic isozymes I and II and transmembrane isozymes IX, XII (cancer-associated) and XIV with novel 3-pyridinesulfonamide derivatives.EBI Eur J Med Chem 46: 4403-10 (2011) Medical University of Gdansk 2D 3D TSV
21819082 9 Discovery, synthesis, and biological evaluation of novel SMN protein modulators.EBI J Med Chem 54: 6215-33 (2011) National Human Genome Research Institute 2D 3D TSV
21816517 25 Synthesis, molecular modeling and biological evaluation of chalcone thiosemicarbazide derivatives as novel anticancer agents.EBI Eur J Med Chem 46: 4702-8 (2011) Nanjing University 2D 3D TSV
21816515 93 Synthesis and biological investigation of potential atypical antipsychotics with a tropane core. Part 1.EBI Eur J Med Chem 46: 4474-88 (2011) Medical University of Warsaw 2D 3D TSV
21815772 22 Inhibition of human carbonic anhydrase isozymes I, II and VI with a series of bisphenol, methoxy and bromophenol compounds.BDB J Enzyme Inhib Med Chem 27: 467-75 (2012) Artvin Coruh University 2D 3D TSV
21815634 11 Design and characterization of a potent and selective dual ATP- and substrate-competitive subnanomolar bidentate c-Jun N-terminal kinase (JNK) inhibitor.EBI J Med Chem 54: 6206-14 (2011) Sanford-Burnham Medical Research Institute 2D 3D TSV
21813278 95 Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.EBI Bioorg Med Chem Lett 21: 5521-7 (2011) Elan Pharmaceuticals 2D 3D TSV
21813276 56 1,5-Disubstituted indole derivatives as selective human neuronal nitric oxide synthase inhibitors.EBI Bioorg Med Chem Lett 21: 5301-4 (2011) NeurAxon Inc. 2D 3D TSV
21813275 40 Indolin-2-one p38a inhibitors II: Lead optimisation.EBI Bioorg Med Chem Lett 21: 5270-3 (2011) Rhône-Poulenc Rorer 2D 3D TSV
21812414 106 Structure based drug design of crizotinib (PF-02341066), a potent and selective dual inhibitor of mesenchymal-epithelial transition factor (c-MET) kinase and anaplastic lymphoma kinase (ALK).EBI J Med Chem 54: 6342-63 (2011) Pfizer Inc. 2D 3D TSV
21809851 21 Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.EBI J Med Chem 54: 6399-403 (2011) Northwestern University 2D 3D TSV
21807525 30 3-benzhydryl-4-piperidones as novel neurokinin-1 receptor antagonists and their efficient synthesis.EBI Bioorg Med Chem 19: 5175-82 (2011) Takeda Pharmaceutical Co. Ltd 2D 3D TSV
21807515 9 A fast virtual screening approach to identify structurally diverse inhibitors of trypanothione reductase.EBI Bioorg Med Chem Lett 21: 5255-8 (2011) Universit£ degli Studi di Siena 2D 3D TSV
21807512 29 Biochemical and pharmacological profiling of the pro-survival protein Bcl-xL.EBI Bioorg Med Chem Lett 21: 4951-5 (2011) University of Washington 2D 3D TSV
21807511 13 Synthesis and biochemical evaluation of triazole/tetrazole-containing sulfonamides against thrombin and related serine proteases.EBI Bioorg Med Chem Lett 21: 5305-9 (2011) The Johns Hopkins University 2D 3D TSV
21807510 31 Synthesis and biological evaluation of glycogen synthase kinase 3 (GSK-3) inhibitors: an fast and atom efficient access to 1-aryl-3-benzylureas.EBI Bioorg Med Chem Lett 21: 5610-5 (2011) Technische Universit£t Darmstadt 2D 3D TSV
21806016 78 N-imidazolebenzyl-histidine substitution in somatostatin and in its octapeptide analogue modulates receptor selectivity and function.EBI J Med Chem 54: 5981-7 (2011) Salk Institute 2D 3D TSV
21806011 2 Grassypeptolides F and G, cyanobacterial peptides from Lyngbya majuscula.EBI J Nat Prod 74: 1686-91 (2011) NCI-Frederick 2D 3D TSV
21803585 12 Structure-guided design and synthesis of P1' position 1-phenylcycloalkylamine-derived pentapeptidic BACE1 inhibitors.EBI Bioorg Med Chem 19: 5238-46 (2011) Kyoto Pharmaceutical University 2D 3D TSV
21803580 115 Identification of a series of 4-[3-(quinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperazinyl ureas as potent smoothened antagonist hedgehog pathway inhibitors.EBI Bioorg Med Chem Lett 21: 5274-82 (2011) Merck Research Laboratories Rome 2D 3D TSV
21803461 1 Design of benzimidazole- and benzoxazole-2-thione derivatives as inhibitors of bacterial hyaluronan lyase.EBI Eur J Med Chem 46: 4419-29 (2011) University of Regensburg 2D 3D TSV
21802951 29 The discovery and synthesis of JNJ 31020028, a small molecule antagonist of the Neuropeptide Y Y2 receptor.EBI Bioorg Med Chem Lett 21: 5552-6 (2011) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
21802950 466 Novel and highly potent histamine H3 receptor ligands. Part 1: withdrawing of hERG activity.EBI Bioorg Med Chem Lett 21: 5378-83 (2011) Bioprojet-Biotech 2D 3D TSV
21802948 125 Novel series of pyrrolotriazine analogs as highly potent pan-Aurora kinase inhibitors.EBI Bioorg Med Chem Lett 21: 5296-300 (2011) Ambit Biosciences Corporation 2D 3D TSV
21802943 85 N-(2-alkylaminoethyl)-4-(1,2,4-oxadiazol-5-yl)piperazine-1-carboxamides as highly potent smoothened antagonists.EBI Bioorg Med Chem Lett 21: 5283-8 (2011) Merck Research Laboratories Rome 2D 3D TSV
21802309 27 Discovery of atrop fixed alkoxy-aminobenzhydrol derivatives: novel, highly potent and orally efficacious squalene synthase inhibitors.EBI Bioorg Med Chem 19: 5207-24 (2011) Daiichi Sankyo Co., Ltd 2D 3D TSV
21802308 29 Synthesis and molecular modeling of 1H-pyrrolopyrimidine-2,4-dione derivatives as ligands for thea1-adrenoceptors.EBI Bioorg Med Chem 19: 5260-76 (2011) Universit£ degli Studi di Catania 2D 3D TSV
21802307 64 Novel aminopeptidase N (APN/CD13) inhibitors derived from chloramphenicol amine.EBI Bioorg Med Chem 19: 5190-8 (2011) Shandong University 2D 3D TSV
21802292 13 Strategies to lower the Pgp efflux liability in a series of potent indole azetidine MCHR1 antagonists.EBI Bioorg Med Chem Lett 21: 5310-4 (2011) Lundbeck Research USA, Inc. 2D 3D TSV
21802290 43 Synthesis, molecular docking and evaluation of thiazolyl-pyrazoline derivatives as EGFR TK inhibitors and potential anticancer agents.EBI Bioorg Med Chem Lett 21: 5374-7 (2011) Nanjing University 2D 3D TSV
21802008 10 High-throughput kinase profiling: a more efficient approach toward the discovery of new kinase inhibitors.BDB Chem Biol 18: 868-79 (2011) Harvard Medical School 2D 3D TSV
21800856 50 Lignan derivatives from Krameria lappacea roots inhibit acute inflammation in vivo and pro-inflammatory mediators in vitro.EBI J Nat Prod 74: 1779-86 (2011) University of Innsbruck 2D 3D TSV
21798748 2 Biotinylated quercetin as an intrinsic photoaffinity proteomics probe for the identification of quercetin target proteins.EBI Bioorg Med Chem 19: 4710-20 (2011) Washington University 2D 3D TSV
21798746 17 Thiolactone modulators of quorum sensing revealed through library design and screening.EBI Bioorg Med Chem 19: 4820-8 (2011) University of Wisconsin-Madison 2D 3D TSV
21798739 6 Discovery of GSK1997132B a novel centrally penetrant benzimidazole PPAR¿ partial agonist.EBI Bioorg Med Chem Lett 21: 5568-72 (2011) GlaxoSmithKline 2D 3D TSV
21798738 44 Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).EBI Bioorg Med Chem Lett 21: 5633-7 (2011) Biogen Idec Inc. 2D 3D TSV
21798635 32 Multi-target strategy to address Alzheimer's disease: design, synthesis and biological evaluation of new tacrine-based dimers.EBI Eur J Med Chem 46: 4336-43 (2011) Institut f£r Molekulare Physiologie 2D 3D TSV
21797275 139 Structure-activity relationship and pharmacokinetic studies of sotrastaurin (AEB071), a promising novel medicine for prevention of graft rejection and treatment of psoriasis.EBI J Med Chem 54: 6028-39 (2011) Novartis Institutes for BioMedical Research 2D 3D TSV
21797225 70 SAR by interligand nuclear overhauser effects (ILOEs) based discovery of acylsulfonamide compounds active against Bcl-x(L) and Mcl-1.EBI J Med Chem 54: 6000-13 (2011) Sanford-Burnham Medical Research Institute 2D 3D TSV
21795054 8 Thermodynamic and biological evaluation of a thrombin binding aptamer modified with several unlocked nucleic acid (UNA) monomers and a 2'-C-piperazino-UNA monomer.EBI Bioorg Med Chem 19: 4739-45 (2011) University of Southern Denmark 2D 3D TSV
21795044 14 Design, synthesis and biological evaluation of novel nitroaromatic compounds as potent glutathione reductase inhibitors.EBI Bioorg Med Chem Lett 21: 5398-402 (2011) Batman University 2D 3D TSV
21794960 194 Imidazo[2,1-b]thiazole guanylhydrazones as RSK2 inhibitors.EBI Eur J Med Chem 46: 4311-23 (2011) Universit£ di Bologna 2D 3D TSV
21793558 39 Thailandepsins: bacterial products with potent histone deacetylase inhibitory activities and broad-spectrum antiproliferative activities.EBI J Nat Prod 74: 2031-8 (2011) University of Wisconsin-Milwaukee 2D 3D TSV
21791013 5 A disalicylic acid-furanyl derivative inhibits ephrin binding to a subset of Eph receptors.BDB Chem Biol Drug Des 78: 667-78 (2011) Sanford-Burnham Medical Research Institute 2D 3D TSV
21790126 5 Synthesis and evaluation of novel carbon-11 labeled oxopurine analogues for positron emission tomography imaging of translocator protein (18 kDa) in peripheral organs.EBI J Med Chem 54: 6040-9 (2011) National Institute of Radiological Sciences 2D 3D TSV
21788139 43 Ligand-based modelling followed by synthetic exploration unveil novel glycogen phosphorylase inhibitory leads.EBI Bioorg Med Chem 19: 4746-71 (2011) Applied Science University 2D 3D TSV
21788137 33 N-Arylalkyl-2-azaadamantanes as cage-expanded polycarbocyclic sigma (s) receptor ligands.EBI Bioorg Med Chem Lett 21: 5289-92 (2011) The University of Sydney 2D 3D TSV
21788136 26 Synthesis and antimicrobial activity of N¹-benzyl or N¹-benzyloxy-1,6-dihydro-1,3,5-triazine-2,4-diamines.EBI Bioorg Med Chem Lett 21: 5428-31 (2011) Huazhong University of Science and Technology 2D 3D TSV
21788135 40 Structure selectivity relationship studies of 17-cyclopropylmethyl-3,14ß-dihydroxy-4,5a-epoxy-6ß-[(4'-pyridyl)carboxamido]morphinan derivatives toward the development of the mu opioid receptor antagonists.EBI Bioorg Med Chem Lett 21: 5625-9 (2011) Virginia Commonwealth University 2D 3D TSV
21788134 28 Identification of a non-phosphorylated, cell permeable, small molecule ligand for the Stat3 SH2 domain.EBI Bioorg Med Chem Lett 21: 5605-9 (2011) University of Toronto Mississauga 2D 3D TSV
21786805 130 Structure-based design and synthesis of 1,3-oxazinan-2-one inhibitors of 11ß-hydroxysteroid dehydrogenase type 1.EBI J Med Chem 54: 6050-62 (2011) Vitae Pharmaceuticals 2D 3D TSV
21783363 10 Synthesis and in vitro evaluation of derivatives of theß¿?-adrenergic receptor antagonist HX-CH 44.EBI Bioorg Med Chem Lett 21: 5506-9 (2011) University of Toronto 2D 3D TSV
21783362 17 SAR analysis of innovative selective small molecule antagonists of sphingosine-1-phosphate 4 (S1P4) receptor.EBI Bioorg Med Chem Lett 21: 5470-4 (2011) The Scripps Research Institute 2D 3D TSV
21783361 90 Overcoming hERG activity in the discovery of a series of 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists.EBI Bioorg Med Chem Lett 21: 5577-82 (2011) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
21783360 52 Novel and highly potent histamine H3 receptor ligands. Part 2: exploring the cyclohexylamine-based series.EBI Bioorg Med Chem Lett 21: 5384-8 (2011) Bioprojet-Biotech 2D 3D TSV
21783359 7 2-Phenyl and 2-heterocyclic-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridines as inhibitors of TGF-ß1 and activin A signalling.EBI Bioorg Med Chem Lett 21: 5642-5 (2011) Monash University 2D 3D TSV
21782456 7 Oxadiazole derivatives containing 1,4-benzodioxan as potential immunosuppressive agents against RAW264.7 cells.EBI Bioorg Med Chem 19: 4895-902 (2011) Nanjing University 2D 3D TSV
21782455 16 Synthesis and evaluation of novel 2-butyl-4-chloro-1-methylimidazole embedded chalcones and pyrazoles as angiotensin converting enzyme (ACE) inhibitors.EBI Bioorg Med Chem 19: 4772-81 (2011) India Institute of Chemical Technology 2D 3D TSV
21782453 26 LuxR dependent quorum sensing inhibition by N,N'-disubstituted imidazolium salts.EBI Bioorg Med Chem 19: 4868-75 (2011) INSA Lyon 2D 3D TSV
21782433 2 Lipid and sulfur substituted prenylcysteine analogs as human Icmt inhibitors.EBI Bioorg Med Chem Lett 21: 5616-9 (2011) Purdue University 2D 3D TSV
21782432 62 Identification of pyridazin-3-one derivatives as potent, selective histamine H3 receptor inverse agonists with robust wake activity.EBI Bioorg Med Chem Lett 21: 5493-7 (2011) Cephalon, Inc. 2D 3D TSV
21782431 95 Monosubstituted¿-lactam and conformationally constrained 1,3-diaminopropan-2-ol transition-state isostere inhibitors ofß-secretase (BACE).EBI Bioorg Med Chem Lett 21: 6916-24 (2011) Bristol-Myers Squibb 2D 3D TSV
21782430 26 N-Heteroaryl glycinamides and glycinamines as potent NPY5 antagonists.EBI Bioorg Med Chem Lett 21: 5573-6 (2011) Lundbeck Research USA, Inc. 2D 3D TSV
21782429 18 Fragment library screening reveals remarkable similarities between the G protein-coupled receptor histamine H4 and the ion channel serotonin 5-HT3A.EBI Bioorg Med Chem Lett 21: 5460-4 (2011) VU University Amsterdam 2D 3D TSV
21782428 61 Discovery of Lu AA33810: a highly selective and potent NPY5 antagonist with in vivo efficacy in a model of mood disorder.EBI Bioorg Med Chem Lett 21: 5436-41 (2011) Lundbeck Research USA, Inc. 2D 3D TSV
21782427 17 Exploring Left-Hand-Side substitutions in the benzoxazinone series of 4-amino-piperidine bacterial type IIa topoisomerase inhibitors.EBI Bioorg Med Chem Lett 21: 5432-5 (2011) AstraZeneca R&D Boston 2D 3D TSV
21782426 42 Discovery, synthesis and SAR of azinyl- and azolylbenzamides antagonists of the P2X7 receptor.EBI Bioorg Med Chem Lett 21: 5475-9 (2011) Pfizer Inc. 2D 3D TSV
21782425 21 A novel binding assay identifies high affinity ligands to the rosiglitazone binding site of mitoNEET.EBI Bioorg Med Chem Lett 21: 5498-501 (2011) Northeast Ohio Medical University 2D 3D TSV
21782424 1 Synthesis and preliminary evaluation of a modified estradiol-core bearing a fused¿-lactone as non-estrogenic inhibitor of 17ß-hydroxysteroid dehydrogenase type 1.EBI Bioorg Med Chem Lett 21: 5510-3 (2011) CHUQ - Research Center and Laval University 2D 3D TSV
21780790 65 Optimization of cellular activity of G9a inhibitors 7-aminoalkoxy-quinazolines.EBI J Med Chem 54: 6139-50 (2011) University of North Carolina at Chapel Hill 2D 3D TSV
21780776 40 Remarkable potential of thea-aminophosphonate/phosphinate structural motif in medicinal chemistry.EBI J Med Chem 54: 5955-80 (2011) Wroclaw University of Technology 2D 3D TSV
21780742 32 A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.EBI J Med Chem 54: 6063-84 (2011) Universidad de Santiago de Compostela 2D 3D TSV
21778064 40 Inhibition of monoamine oxidase by C5-substituted phthalimide analogues.EBI Bioorg Med Chem 19: 4829-40 (2011) North-West University 2D 3D TSV
21778054 3 Phosphopeptides with improved cellular uptake properties as ligands for the polo-box domain of polo-like kinase 1.EBI Bioorg Med Chem Lett 21: 4686-9 (2011) Helmholtz Center Dresden-Rossendorf 2D 3D TSV
21777998 21 Refinement of arylthiosemicarbazone pharmacophore in inhibition of mushroom tyrosinase.EBI Eur J Med Chem 46: 4330-5 (2011) Universit£ de Grenoble/CNRS 2D 3D TSV
21777997 1 The selective P-TEFb inhibitor CAN508 targets angiogenesis.EBI Eur J Med Chem 46: 4289-94 (2011) Palack£ University& Institute of Experimental Botany ASCR 2D 3D TSV
21777011 15 3-Acetyl-2,5-diaryl-2,3-dihydro-1,3,4-oxadiazoles: a new scaffold for the selective inhibition of monoamine oxidase B.EBI J Med Chem 54: 6394-8 (2011) University of Cagliari 2D 3D TSV
21777010 26 Synthesis, in vivo occupancy, and radiolabeling of potent phosphodiesterase subtype-10 inhibitors as candidates for positron emission tomography imaging.EBI J Med Chem 54: 5820-35 (2011) Janssen-Cilag SA 2D 3D TSV
21775152 1 Effects ofß-glucosidase hydrolyzed products of harpagide and harpagoside on cyclooxygenase-2 (COX-2) in vitro.EBI Bioorg Med Chem 19: 4882-6 (2011) Shanghai University of Traditional Chinese Medicine 2D 3D TSV
21775151 22 Bivalent ligand approach on N-{2-[(3-methoxyphenyl)methylamino]ethyl}acetamide: synthesis, binding affinity and intrinsic activity for MT(1) and MT(2) melatonin receptors.EBI Bioorg Med Chem 19: 4910-6 (2011) Universit£ degli Studi di Urbino Carlo Bo 2D 3D TSV
21775140 69 Discovery of novel imidazo[1,2-a]pyridines as inhibitors of the insulin-like growth factor-1 receptor tyrosine kinase.EBI Bioorg Med Chem Lett 21: 4698-701 (2011) AstraZeneca 2D 3D TSV
21774748 30 Synthesis and structure-activity relationship of novel conformationally restricted analogues of serotonin as 5-HT6 receptor ligands.BDB J Enzyme Inhib Med Chem 27: 443-50 (2012) Suven Life Sciences Ltd. 2D 3D TSV
21774747 6 Biotransformation of dehydroepiandrosterone with Macrophomina phaseolina and ▀-glucuronidase inhibitory activity of transformed products.BDB J Enzyme Inhib Med Chem 27: 348-55 (2012) University of Karachi 2D 3D TSV
21774512 3 Targeting the prostaglandin F2a receptor for preventing preterm labor with azapeptide tocolytics.EBI J Med Chem 54: 6085-97 (2011) McGill University Health Center Research Institute 2D 3D TSV
21770859 26 Synthesis of a novel series of L-isoserine derivatives as aminopeptidase N inhibitors.BDB J Enzyme Inhib Med Chem 27: 302-10 (2012) Shan Dong University 2D 3D TSV
21767952 42 Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors.EBI Bioorg Med Chem Lett 21: 4762-7 (2011) Johnson& Johnson Pharmaceutical Research and Development 2D 3D TSV
21765967 10 Screening for GPCR Ligands Using Surface Plasmon Resonance.EBI ACS Med Chem Lett 2: 549-554 (2011) TBA 2D 3D TSV
21765407 30 Serendipitous alkylation of a Plk1 ligand uncovers a new binding channel.BDB Nat Chem Biol 7: 595-601 (2011) National Cancer Institute-Frederick 2D 3D TSV
21764590 98 N-substituted homopiperazine barbiturates as gelatinase inhibitors.EBI Bioorg Med Chem 19: 4985-99 (2011) Trinity College 2D 3D TSV
21764580 51 Identification of 2-(4-pyridyl)thienopyridinones as GSK-3ß inhibitors.EBI Bioorg Med Chem Lett 21: 4823-7 (2011) GlaxoSmithKline 2D 3D TSV
21764322 33 Identification of 3-aminomethyl-1,2-dihydro-4-phenyl-1-isoquinolones: a new class of potent, selective, and orally active non-peptide dipeptidyl peptidase IV inhibitors that form a unique interaction with Lys554.EBI Bioorg Med Chem 19: 4953-70 (2011) Takeda Pharmaceutical Company Limited 2D 3D TSV
21764307 108 Novel imidazo[1,2-a]pyridine based inhibitors of the IGF-1 receptor tyrosine kinase: optimization of the aniline.EBI Bioorg Med Chem Lett 21: 4702-4 (2011) AstraZeneca 2D 3D TSV
21764306 149 Special ergolines efficiently inhibit the chemokine receptor CXCR3 in blood.EBI Bioorg Med Chem Lett 21: 4745-9 (2011) Novartis Institutes for BioMedical Research 2D 3D TSV
21764305 79 The discovery and development of inhibitors of fatty acid amide hydrolase (FAAH).EBI Bioorg Med Chem Lett 21: 4674-85 (2011) The Scripps Research Institute 2D 3D TSV
21764185 12 Design and synthesis of 2-phenylimidazo[1,2-a]pyridines as a novel class of melatonin receptor ligands.EBI Eur J Med Chem 46: 4252-7 (2011) Universit£ d'Orl£ans 2D 3D TSV
21763148 18 The combination of 4-anilinoquinazoline and cinnamic acid: a novel mode of binding to the epidermal growth factor receptor tyrosine kinase.EBI Bioorg Med Chem 19: 5012-22 (2011) Nanjing University 2D 3D TSV
21763134 57 Identification of 2-oxatriazines as highly potent pan-PI3K/mTOR dual inhibitors.EBI Bioorg Med Chem Lett 21: 4773-8 (2011) Pfizer Inc. 2D 3D TSV
21757360 86 Inhibition studies of theß-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium with sulfonamides and sulfamates.EBI Bioorg Med Chem 19: 5023-30 (2011) Kochi Medical School 2D 3D TSV
21757356 5 Evaluation of influence of Ap4A analogues on Fhit-positive HEK293T cells; cytotoxicity and ability to induce apoptosis.EBI Bioorg Med Chem 19: 5053-60 (2011) Polish Academy of Sciences 2D 3D TSV
21757348 12 Thrombin inhibitors with lipid peroxidation and lipoxygenase inhibitory activities.EBI Bioorg Med Chem Lett 21: 4705-9 (2011) University of Ljubljana 2D 3D TSV
21757345 34 New substrate analogue furin inhibitors derived from 4-amidinobenzylamide.EBI Bioorg Med Chem Lett 21: 4695-7 (2011) Philipps University Marburg 2D 3D TSV
21757343 73 6-Aryl-3-pyrrolidinylpyridines as mGlu5 receptor negative allosteric modulators.EBI Bioorg Med Chem Lett 21: 4891-9 (2011) Lundbeck Research USA, Inc. 2D 3D TSV
21755948 2 Conformationally constrained peptides from CD2 to modulate protein-protein interactions between CD2 and CD58.EBI J Med Chem 54: 5307-19 (2011) University of Louisiana at Monroe 2D 3D TSV
21752655 26 Design, synthesis and biological evaluation of urea derivatives from o-hydroxybenzylamines and phenylisocyanate as potential FabH inhibitors.EBI Bioorg Med Chem 19: 4413-20 (2011) Nanjing University 2D 3D TSV
21752644 9 A mechanism-based potent sirtuin inhibitor containing Ne-thiocarbamoyl-lysine (TuAcK).EBI Bioorg Med Chem Lett 21: 4753-7 (2011) University of Akron 2D 3D TSV
21752643 3 Synthesis and antiglycation potentials of bergenin derivatives.EBI Bioorg Med Chem Lett 21: 4928-31 (2011) India Institute of Chemical Technology 2D 3D TSV
21752640 6 Bioactive sulfoximines: syntheses and properties of Vioxx analogs.EBI Bioorg Med Chem Lett 21: 4888-90 (2011) RWTH Aachen University 2D 3D TSV
21752639 1 Discovery of novel fatty acid synthase (FAS) inhibitors based on the structure of ketoaceyl synthase (KS) domain.EBI Bioorg Med Chem Lett 21: 4742-4 (2011) Sichuan University 2D 3D TSV
21751791 4 Evolution from a natural flavones nucleus to obtain 2-(4-Propoxyphenyl)quinoline derivatives as potent inhibitors of the S. aureus NorA efflux pump.EBI J Med Chem 54: 5722-36 (2011) Universita` degli Studi di Perugia 2D 3D TSV
21751327 10 Synthesis, kinetic evaluation and cell-based analysis of C-alkylated isofagomines as chaperones of ╬▓-glucocerebrosidase.BDB Chembiochem 12: 2151-4 (2011) University of British Columbia 2D 3D TSV
21745740 10 Synthesis and biological evaluation of piperamide analogues as HDAC inhibitors.EBI Bioorg Med Chem Lett 21: 4844-6 (2011) East China Normal University 2D 3D TSV
21745700 20 Click to a focused library of benzyl 6-triazolo(hydroxy)benzoic glucosides: novel construction of PTP1B inhibitors on a sugar scaffold.EBI Eur J Med Chem 46: 4212-8 (2011) East China University of Science and Technology 2D 3D TSV
21744858 8 Fluorescent derivatives ofs receptor ligand 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28) as a tool for uptake and cellular localization studies in pancreatic tumor cells.EBI J Med Chem 54: 5858-67 (2011) Universita` degli Studi di Bari Aldo Moro 2D 3D TSV
21744827 76 Design and discovery of a selective small molecule¿ opioid antagonist (2-methyl-N-((2'-(pyrrolidin-1-ylsulfonyl)biphenyl-4-yl)methyl)propan-1-amine, PF-4455242).EBI J Med Chem 54: 5868-77 (2011) Pfizer Inc. 2D 3D TSV
21742506 7 Discovery of vinylogous carbamates as a novel class ofß-ketoacyl-acyl carrier protein synthase III (FabH) inhibitors.EBI Bioorg Med Chem 19: 4454-9 (2011) Soochow University 2D 3D TSV
21742496 85 The design, synthesis and structure-activity relationships of novel isoindoline-based histone deacetylase inhibitors.EBI Bioorg Med Chem Lett 21: 4909-12 (2011) Novartis Institutes for Biomedical Research 2D 3D TSV
21742494 44 Structure-activity relationship and docking studies of thiazolidinedione-type compounds with monoamine oxidase B.EBI Bioorg Med Chem Lett 21: 4798-803 (2011) Northeastern Ohio Universities Colleges of Medicine and Pharmacy 2D 3D TSV
21742493 28 Discovery of indazoles as inhibitors of Tpl2 kinase.EBI Bioorg Med Chem Lett 21: 4758-61 (2011) Pfizer Inc. 2D 3D TSV
21742492 1 Peptoid ligands that bind selectively to phosphoproteins.EBI Bioorg Med Chem Lett 21: 4960-4 (2011) The Scripps Research Institute 2D 3D TSV
21742490 8 Benzothiazole-based N-(phenylsulfonyl)amides as a novel family of PPARa antagonists.EBI Bioorg Med Chem Lett 21: 4869-72 (2011) Universit£ degli Studi G. d'Annunzio 2D 3D TSV
21741848 66 Design, synthesis and evaluation of N-benzoylindazole derivatives and analogues as inhibitors of human neutrophil elastase.EBI Bioorg Med Chem 19: 4460-72 (2011) Universit£ degli Studi di Firenze 2D 3D TSV
21741847 20 Discovery of potent, selective, and orally bioavailable quinoline-based dipeptidyl peptidase IV inhibitors targeting Lys554.EBI Bioorg Med Chem 19: 4482-98 (2011) Takeda Pharmaceutical Company Limited 2D 3D TSV
21741846 76 Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping.EBI Bioorg Med Chem 19: 4544-51 (2011) Universit£ degli Studi di Milano 2D 3D TSV
21741839 83 Development of substrate analogue inhibitors for the human airway trypsin-like protease HAT.EBI Bioorg Med Chem Lett 21: 4860-4 (2011) Philipps University Marburg 2D 3D TSV
21741838 17 Design and pharmacological evaluation of PF-4840154, a non-electrophilic reference agonist of the TrpA1 channel.EBI Bioorg Med Chem Lett 21: 4857-9 (2011) Pfizer Inc. 2D 3D TSV
21741835 41 Structure-activity relationship studies of novel pyrazole and imidazole carboxamides as cannabinoid-1 (CB1) antagonists.EBI Bioorg Med Chem Lett 21: 4913-8 (2011) Dr. Reddy's Laboratories Ltd 2D 3D TSV
21741250 32 Synthesis, molecular modeling and biological evaluation ofß-ketoacyl-acyl carrier protein synthase III (FabH) as novel antibacterial agents.EBI Bioorg Med Chem 19: 4513-9 (2011) Nanjing University 2D 3D TSV
21741249 32 Arthrinins A-D: novel diterpenoids and further constituents from the sponge derived fungus Arthrinium sp.EBI Bioorg Med Chem 19: 4644-51 (2011) Heinrich-Heine-Universit£t 2D 3D TSV
21741247 2 Development of 3-substituted-androsterone derivatives as potent inhibitors of 17ß-hydroxysteroid dehydrogenase type 3.EBI Bioorg Med Chem 19: 4652-68 (2011) CHUQ (CHUL)-Research Center 2D 3D TSV
21741239 35 Biphenyl/diphenyl ether renin inhibitors: filling the S1 pocket of renin via the S3 pocket.EBI Bioorg Med Chem Lett 21: 4836-43 (2011) USA. 2D 3D TSV
21741237 6 Synthesis of 6-[¹8F]fluoro-PBR28, a novel radiotracer for imaging the TSPO 18 kDa with PET.EBI Bioorg Med Chem Lett 21: 4819-22 (2011) CEA, I�BM 2D 3D TSV
21740106 4 A screening assay for neuraminidase inhibitors using neuraminidases N1 and N3 from a baculovirus expression system.BDB J Enzyme Inhib Med Chem 27: 5-11 (2012) Chulalongkorn University 2D 3D TSV
21740105 4 In vitro effects of some drugs on human erythrocyte glutathione reductase.BDB J Enzyme Inhib Med Chem 27: 18-23 (2012) Ataturk University 2D 3D TSV
21740101 13 Designing modulators of dimethylarginine dimethylaminohydrolase (DDAH): a focus on selectivity over arginase.BDB J Enzyme Inhib Med Chem 27: 24-8 (2012) Christian-Albrechts-University 2D 3D TSV
21739938 72 Discovery of potent and selective inhibitors of human platelet-type 12- lipoxygenase.EBI J Med Chem 54: 5485-97 (2011) National Human Genome Research Institute 2D 3D TSV
21739935 62 Synthesis and pharmacological characterization of bicyclic triple reuptake inhibitor 3-aryl octahydrocyclopenta[c]pyrrole analogues.EBI J Med Chem 54: 5283-95 (2011) Sunovion Pharmaceuticals 2D 3D TSV
21737287 3 Synthesis, in vitro and in vivo evaluation of fluorine-18 labelled FE-GW405833 as a PET tracer for type 2 cannabinoid receptor imaging.EBI Bioorg Med Chem 19: 4499-505 (2011) IMIR K.U. Leuven 2D 3D TSV
21737285 138 Discovery of selective indole-based prostaglandin D2 receptor antagonist.EBI Bioorg Med Chem 19: 4574-88 (2011) Minase Research Institute 2D 3D TSV
21737272 103 Identification of MK-5710 ((8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(1-phenyl-1H-pyrazol-5-yl)hexahydroimid azo[1,5-a]pyrazine-7(1H)-carboxamide), a potent smoothened antagonist for use in Hedgehog pathway dependent malignancies, part 1.EBI Bioorg Med Chem Lett 21: 4422-8 (2011) Merck Research Laboratories Rome 2D 3D TSV
21737266 43 C-aryl glucosides substituted at the 4'-position as potent and selective renal sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 21: 4465-70 (2011) Chinese Academy of Sciences 2D 3D TSV
21737265 2 Discovery and synthesis of a new class of opioid ligand having a 3-azabicyclo[3.1.0]hexane core. An example of a 'magic methyl' giving a 35-fold improvement in binding.EBI Bioorg Med Chem Lett 21: 4608-11 (2011) Pfizer Inc. 2D 3D TSV
21737263 63 Identification of MK-5710 ((8aS)-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclo- propyl]-N-(1-phenyl-1H-pyrazol-5-yl)hexahydro-imidazo[1,5-a]pyrazine-7(1H)-carboxamide), a potent smoothened antagonist for use in Hedgehog pathway dependent malignancies, part 2.EBI Bioorg Med Chem Lett 21: 4429-35 (2011) Merck Research Laboratories Rome 2D 3D TSV
21733699 121 Requirements for mammalian carboxylesterase inhibition by substituted ethane-1,2-diones.EBI Bioorg Med Chem 19: 4635-43 (2011) St. Jude Children's Research Hospital 2D 3D TSV
21733698 13 Design, synthesis and biological evaluation of tyrosine-based hydroxamic acid analogs as novel histone deacetylases (HDACs) inhibitors.EBI Bioorg Med Chem 19: 4437-44 (2011) Shandong University 2D 3D TSV
21733693 7 Development of potent B-RafV600E inhibitors containing an arylsulfonamide headgroup.EBI Bioorg Med Chem Lett 21: 4436-40 (2011) GlaxoSmithKline Oncology CEDD 2D 3D TSV
21733692 56 Azepanone-based inhibitors of human cathepsin S: optimization of selectivity via the P2 substituent.EBI Bioorg Med Chem Lett 21: 4409-15 (2011) GlaxoSmithKline 2D 3D TSV
21733691 2 Nothospondin, a new AP-1 inhibitory quassinoid from the Cameroonian plant Nothospondias staudtii.EBI Bioorg Med Chem Lett 21: 4397-9 (2011) NCI-Frederick 2D 3D TSV
21733690 40 Benzimidazolone as potent chymase inhibitor: modulation of reactive metabolite formation in the hydrophobic (P1) region.EBI Bioorg Med Chem Lett 21: 4533-9 (2011) Boehringer Ingelheim Pharmaceuticals Inc. 2D 3D TSV
21733683 8 Structure-activity study on a series ofa-glutamic acid scaffold based compounds as new ADAMTS inhibitors.EBI Bioorg Med Chem Lett 21: 4457-61 (2011) Chinese Academy of Sciences 2D 3D TSV
21732671 4 Polysulfated xanthones: multipathway development of a new generation of dual anticoagulant/antiplatelet agents.EBI J Med Chem 54: 5373-84 (2011) Universidade do Porto (CEQUIMED-UP) 2D 3D TSV
21732626 60 Synthesis and in vitro biological evaluation of carbonyl group-containing analogues fors1 receptors.EBI J Med Chem 54: 5362-72 (2011) Washington University 2D 3D TSV
21728378 9 Binding ofa,a-disubstituted amino acids to arginase suggests new avenues for inhibitor design.EBI J Med Chem 54: 5432-43 (2011) Drexel University 2D 3D TSV
21728345 8 Mechanism of inhibition of fatty acid amide hydrolase by sulfonamide-containing benzothiazoles: long residence time derived from increased kinetic barrier and not exclusively from thermodynamic potency.BDB Biochemistry 50: 6867-78 (2011) AstraZeneca Pharmaceuticals 2D 3D TSV
21728335 20 New anthranilic acid based antagonists with high affinity and selectivity for the human cholecystokinin receptor 1 (hCCK1-R).EBI J Med Chem 54: 5769-85 (2011) University of Trieste 2D 3D TSV
21726077 51 The lipogenesis pathway as a cancer target.EBI J Med Chem 54: 5615-38 (2011) Wayne State University 2D 3D TSV
21726069 98 Tryptophan 2,3-dioxygenase (TDO) inhibitors. 3-(2-(pyridyl)ethenyl)indoles as potential anticancer immunomodulators.EBI J Med Chem 54: 5320-34 (2011) University of Namur 2D 3D TSV
21724404 3 Discovery of benzimidazole derivatives as novel multi-target EGFR, VEGFR-2 and PDGFR kinase inhibitors.EBI Bioorg Med Chem 19: 4529-35 (2011) Tsinghua University 2D 3D TSV
21724393 74 Pharmacophore modeling and virtual screening to identify potential RET kinase inhibitors.EBI Bioorg Med Chem Lett 21: 4490-7 (2011) National Tsing Hua University 2D 3D TSV
21724392 3 Rigidized 1-aryl sulfonyl tryptamines: synthesis and pharmacological evaluation as 5-HT6 receptor ligands.EBI Bioorg Med Chem Lett 21: 4577-80 (2011) Suven Life Sciences Ltd. 2D 3D TSV
21724305 25 Synthesis and Na+/H+ exchanger inhibitory activity of benzoylguanidine derivatives.EBI Eur J Med Chem 46: 4107-16 (2011) China Pharmaceutical University 2D 3D TSV
21723733 12 Human HDAC isoform selectivity achieved via exploitation of the acetate release channel with structurally unique small molecule inhibitors.EBI Bioorg Med Chem 19: 4626-34 (2011) Novartis Institutes for Biomedical Research 2D 3D TSV
21723725 31 Discovery of potent, soluble and orally active TRPV1 antagonists. Structure-activity relationships of a series of isoxazoles.EBI Bioorg Med Chem Lett 21: 4652-7 (2011) Merck Research Laboratories 2D 3D TSV
21723724 91 Design-driven LO: the discovery of new ultra long acting dibasicß2-adrenoceptor agonists.EBI Bioorg Med Chem Lett 21: 4612-6 (2011) AstraZeneca 2D 3D TSV
21723648 41 Docking and 3D-QSAR (quantitative structure activity relationship) studies of flavones, the potent inhibitors of p-glycoprotein targeting the nucleotide binding domain.EBI Eur J Med Chem 46: 4078-88 (2011) Chosun University 2D 3D TSV
21723123 48 N-ß-glycosyl sulfamides are selective inhibitors of the cancer associated carbonic anhydrase isoforms IX and XII.EBI Bioorg Med Chem Lett 21: 4447-50 (2011) Universidad Nacional de La Plata 2D 3D TSV
21723120 100 Synthesis and SAR of new pyrazolo[4,3-h]quinazoline-3-carboxamide derivatives as potent and selective MPS1 kinase inhibitors.EBI Bioorg Med Chem Lett 21: 4507-11 (2011) Nerviano Medical Sciences srl 2D 3D TSV
21721525 8 In vivo PET imaging of histone deacetylases by 18F-suberoylanilide hydroxamic acid (18F-SAHA).EBI J Med Chem 54: 5576-82 (2011) Harvard Medical School 2D 3D TSV
21719286 28 Identification of benzofuran-4,5-diones as novel and selective non-hydroxamic acid, non-peptidomimetic based inhibitors of human peptide deformylase.EBI Bioorg Med Chem Lett 21: 4528-32 (2011) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
21719283 25 Benzisothiazolones as modulators of macrophage migration inhibitory factor.EBI Bioorg Med Chem Lett 21: 4545-9 (2011) Yale University 2D 3D TSV
21719282 1 Discovery of bacterial NAD+-dependent DNA ligase inhibitors: optimization of antibacterial activity.EBI Bioorg Med Chem Lett 21: 4556-60 (2011) AstraZeneca R&D Boston 2D 3D TSV
21718050 9 Indolequinone inhibitors of NRH:quinone oxidoreductase 2. Characterization of the mechanism of inhibition in both cell-free and cellular systems.BDB Biochemistry 50: 6678-88 (2011) University of Colorado Denver 2D 3D TSV
21718029 5 Antitumor actinopyranones produced by Streptomyces albus POR-04-15-053 isolated from a marine sediment.EBI J Nat Prod 74: 1590-6 (2011) Drug Discovery Area, PharmaMar SAU , Avenida de los Reyes 1, 28770-Colmenar Viejo, Madrid, Spain. 2D 3D TSV
21715177 6 Ptilomycalin A inhibits laccase and melanization in Cryptococcus neoformans.EBI Bioorg Med Chem 19: 6654-7 (2011) University of California 2D 3D TSV
21715165 31 Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model.EBI Bioorg Med Chem Lett 21: 4602-7 (2011) Pfizer Inc. 2D 3D TSV
21715067 15 Synthesis and pharmacological assessment of diversely substituted pyrazolo[3,4-b]quinoline, and benzo[b]pyrazolo[4,3-g][1,8]naphthyridine derivatives.EBI Eur J Med Chem 46: 4676-81 (2011) University of Lisbon 2D 3D TSV
21714538 2 Discovery of a tetrahydroisoquinoline-based hydroxamic acid derivative (ZYJ-34c) as histone deacetylase inhibitor with potent oral antitumor activities.EBI J Med Chem 54: 5532-9 (2011) Shandong University 2D 3D TSV
21714536 25 Rational design of potent, small, synthetic allosteric inhibitors of thrombin.EBI J Med Chem 54: 5522-31 (2011) Virginia Commonwealth University 2D 3D TSV
21714526 54 Structure-activity relationships of phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors: investigations of various 6,5-heterocycles to improve metabolic stability.EBI J Med Chem 54: 5174-84 (2011) Amgen Inc. 2D 3D TSV
21712146 20 Synthesis and evaluation of aliphatic-chain hydroxamates capped with osthole derivatives as histone deacetylase inhibitors.EBI Eur J Med Chem 46: 4042-9 (2011) Taipei Medical University 2D 3D TSV
21711054 16 Synthesis and significant cytostatic activity of 7-hetaryl-7-deazaadenosines.EBI J Med Chem 54: 5498-507 (2011) Academy of Sciences of the Czech Republic 2D 3D TSV
21711053 106 Structure-activity relationship studies on isoindoline inhibitors of dipeptidyl peptidases 8 and 9 (DPP8, DPP9): is DPP8-selectivity an attainable goal?EBI J Med Chem 54: 5737-46 (2011) University of Antwerp (UA) 2D 3D TSV
21711014 8 Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.BDB Biochemistry 50: 6642-54 (2011) GlaxoSmithKline 2D 3D TSV
21708468 101 Discovery and evaluation of 3-phenyl-1H-5-pyrazolylamine-based derivatives as potent, selective and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3).EBI Bioorg Med Chem 19: 4173-82 (2011) National Health Research Institutes 2D 3D TSV
21708467 19 Synthesis, biological evaluation and docking studies of octane-carboxamide based renin inhibitors with extended segments toward S3' site of renin.EBI Bioorg Med Chem 19: 4238-49 (2011) China Pharmaceutical University 2D 3D TSV
21708465 141 Synthesis of an aryloxy oxo pyrimidinone library that displays ALK-selective inhibition.EBI Bioorg Med Chem Lett 21: 4592-6 (2011) St. Jude Children's Research Hospital 2D 3D TSV
21708416 59 Combination of pharmacophore model development and binding mode analyses: identification of ligand features essential for I¿B kinase-beta (IKKß) inhibitors and virtual screening based on it.EBI Eur J Med Chem 46: 3942-52 (2011) China Pharmaceutical University 2D 3D TSV
21707078 31 Potent, metabolically stable benzopyrimido-pyrrolo-oxazine-dione (BPO) CFTR inhibitors for polycystic kidney disease.EBI J Med Chem 54: 5468-77 (2011) University of California 2D 3D TSV
21707077 54 From fragment screening to in vivo efficacy: optimization of a series of 2-aminoquinolines as potent inhibitors of beta-site amyloid precursor protein cleaving enzyme 1 (BACE1).EBI J Med Chem 54: 5836-57 (2011) Amgen Inc. 2D 3D TSV
21705219 23 Discovery of imidazo[1,2-b]pyridazines as IKKß inhibitors. Part 3: exploration of effective compounds in arthritis models.EBI Bioorg Med Chem Lett 21: 4550-5 (2011) Daiichi Sankyo Co, Ltd 2D 3D TSV
21705217 60 Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38a MAP kinase inhibitors.EBI Bioorg Med Chem Lett 21: 4633-7 (2011) Bristol-Myers Squibb 2D 3D TSV
21705115 37 Synthesis and in vitro evaluation of new analogues as inhibitors for phosphodiesterase 10A.EBI Eur J Med Chem 46: 3986-95 (2011) Washington University 2D 3D TSV
21703856 6 The tandem chain extension aldol reaction used for synthesis of ketomethylene tripeptidomimetics targeting hPEPT1.EBI Bioorg Med Chem Lett 21: 4597-601 (2011) Biogen Idec Inc. 2D 3D TSV
21703734 68 Synthesis and structure-activity relationship of 1- and 2-substituted-1,2,3-triazole letrozole-based analogues as aromatase inhibitors.EBI Eur J Med Chem 46: 4010-24 (2011) Universit£ de Moncton 2D 3D TSV
21702499 5 Novel benzoxazine and benzothiazine derivatives as multifunctional antihyperlipidemic agents.EBI J Med Chem 54: 5583-91 (2011) University of Athens 2D 3D TSV
21702498 34 Investigations on the 4-quinolone-3-carboxylic acid motif. 4. Identification of new potent and selective ligands for the cannabinoid type 2 receptor with diverse substitution patterns and antihyperalgesic effects in mice.EBI J Med Chem 54: 5444-53 (2011) Universita degli Studi di Siena 2D 3D TSV
21700453 56 Optimisation of pharmacokinetic properties to afford an orally bioavailable and selective V1A receptor antagonist.EBI Bioorg Med Chem Lett 21: 4622-8 (2011) MSD 2D 3D TSV
21700210 6 Identification of a small-molecule inhibitor of DNA topoisomerase II by proteomic profiling.BDB Chem Biol 18: 743-51 (2011) RIKEN Advanced Science Institute 2D 3D TSV
21700208 32 Development of small molecule inhibitors and probes of human SUMO deconjugating proteases.BDB Chem Biol 18: 722-32 (2011) Stanford University 2D 3D TSV
21699374 15 Effects of dopaminergic compounds on carbonic anhydrase isozymes I, II, and VI.BDB J Enzyme Inhib Med Chem 27: 365-9 (2012) Agri Ibrahim ăešen University 2D 3D TSV
21699209 75 Design, synthesis, and biological evaluation of 3,4-dihydroquinolin-2(1H)-one and 1,2,3,4-tetrahydroquinoline-based selective human neuronal nitric oxide synthase (nNOS) inhibitors.EBI J Med Chem 54: 5562-75 (2011) NeurAxon Inc. 2D 3D TSV
21699169 25 Modulation of GABAA-receptors by honokiol and derivatives: subtype selectivity and structure-activity relationship.EBI J Med Chem 54: 5349-61 (2011) University of Vienna 2D 3D TSV
21699136 16 Selectivity of kinase inhibitor fragments.EBI J Med Chem 54: 5131-43 (2011) GlaxoSmithKline R&D 2D 3D TSV
21696967 51 The discovery of long-acting saligeninß2 adrenergic receptor agonists incorporating hydantoin or uracil rings.EBI Bioorg Med Chem 19: 4192-201 (2011) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
21696964 12 Generation of 'Unnatural Natural Product' library and identification of a small molecule inhibitor of XIAP.EBI Bioorg Med Chem 19: 4377-85 (2011) Keio University 2D 3D TSV
21696963 8 Design, synthesis and biological evaluation of 2'-deoxy-2',2'-difluoro-5-halouridine phosphoramidate ProTides.EBI Bioorg Med Chem 19: 4338-45 (2011) Cardiff University 2D 3D TSV
21696956 243 A novel HDAC inhibitor with a hydroxy-pyrimidine scaffold.EBI Bioorg Med Chem Lett 21: 4164-9 (2011) Broad Institute of Harvard and MIT 2D 3D TSV
21696955 45 N-Acylhydrazones as inhibitors of PDE10A.EBI Bioorg Med Chem Lett 21: 4155-9 (2011) Omeros Corp. 2D 3D TSV
21696953 3 Pyrrolo[2,3-c]azepine derivatives: a new class of potent protein tyrosine phosphatase 1B inhibitors.EBI Bioorg Med Chem Lett 21: 4306-9 (2011) Sun Yat-Sen University 2D 3D TSV
21696952 41 Pyrazole-based sulfonamide and sulfamides as potent inhibitors of mammalian 15-lipoxygenase.EBI Bioorg Med Chem Lett 21: 4141-5 (2011) Bristol-Myers Squibb Research and Development 2D 3D TSV
21696951 21 Indolin-2-one p38a inhibitors I: design, profiling and crystallographic binding mode.EBI Bioorg Med Chem Lett 21: 4130-3 (2011) Rhône-Poulenc Rorer 2D 3D TSV
21696866 36 Synthesis and biological evaluation of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinoxalin-6-yl)pyrazoles as transforming growth factor-ß type 1 receptor kinase inhibitors.EBI Eur J Med Chem 46: 3917-25 (2011) Ewha Womans University 2D 3D TSV
21696174 25 Structure-guided lead optimization of triazolopyrimidine-ring substituents identifies potent Plasmodium falciparum dihydroorotate dehydrogenase inhibitors with clinical candidate potential.EBI J Med Chem 54: 5540-61 (2011) GlaxoSmithKline 2D 3D TSV
21696158 50 Identification of the binding modes of N-phenylphthalimides inhibiting bacterial thymidylate synthase through X-ray crystallography screening.EBI J Med Chem 54: 5454-67 (2011) Universita degli Studi di Modena e Reggio Emilia 2D 3D TSV
21696156 23 Chromone, a privileged scaffold for the development of monoamine oxidase inhibitors.EBI J Med Chem 54: 5165-73 (2011) Universidade do Porto 2D 3D TSV
21692479 27 Discovery and structure-activity relationships of modified salicylanilides as cell permeable inhibitors of poly(ADP-ribose) glycohydrolase (PARG).EBI J Med Chem 54: 5403-13 (2011) University of Arizona 2D 3D TSV
21689940 35 Synthesis and structure-activity relationship of new 1,5-dialkyl-1,5-benzodiazepines as cholecystokinin-2 receptor antagonists.EBI Bioorg Med Chem 19: 4257-73 (2011) GlaxoSmithKline 2D 3D TSV
21689935 55 Generation of 3,8-substituted 1,2,4-triazolopyridines as potent inhibitors of human 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD-1).EBI Bioorg Med Chem Lett 21: 4146-9 (2011) Bristol-Myers Squibb 2D 3D TSV
21689933 24 Aryl 1,4-diazepane compounds as potent and selective CB2 agonists: optimization of drug-like properties and target independent parameters.EBI Bioorg Med Chem Lett 21: 4276-80 (2011) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
21689932 7 Structural investigation into the inhibitory mechanisms of indomethacin and its analogues towards human glyoxalase I.EBI Bioorg Med Chem Lett 21: 4243-7 (2011) Sun Yat-Sen University 2D 3D TSV
21688787 295 New, potent, selective, and short-acting peptidic V1a receptor agonists.EBI J Med Chem 54: 4388-98 (2011) Ferring Research Institute Inc. 2D 3D TSV
21688779 84 Tricyclic thiazolopyrazole derivatives as metabotropic glutamate receptor 4 positive allosteric modulators.EBI J Med Chem 54: 5070-81 (2011) Lundbeck Research USA, Inc. 2D 3D TSV
21686082 10 Bioanalytical Screening of Riboflavin Antagonists for Targeted Drug Delivery - A Thermodynamic and Kinetic Study.EBI ACS Med Chem Lett 2: 363-367 (2011) Calvin College 2D 3D TSV
21684752 25 Probes for narcotic receptor mediated phenomena. 43. Synthesis of the ortho-a and para-a, and improved synthesis and optical resolution of the ortho-b and para-b oxide-bridged phenylmorphans: compounds with moderate to low opioid-receptor affinity.EBI Bioorg Med Chem 19: 4330-7 (2011) National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism 2D 3D TSV
21684743 12 MAO inhibitory activity modulation: 3-Phenylcoumarins versus 3-benzoylcoumarins.EBI Bioorg Med Chem Lett 21: 4224-7 (2011) Universidad de Santiago de Compostela 2D 3D TSV
21684740 44 Discovery of microsomal triglyceride transfer protein (MTP) inhibitors with potential for decreased active metabolite load compared to dirlotapide.EBI Bioorg Med Chem Lett 21: 4150-4 (2011) Pfizer Inc. 2D 3D TSV
21684737 48 Discovery of a novel class of 2-aminopyrimidines as CDK1 and CDK2 inhibitors.EBI Bioorg Med Chem Lett 21: 4203-5 (2011) Keimyung University 2D 3D TSV
21684636 14 Arylamides hybrids of two high-affinitys2 receptor ligands as tools for the development of PET radiotracers.EBI Eur J Med Chem 46: 4733-41 (2011) Universit£ degli Studi di Bari ALDO MORO 2D 3D TSV
21684157 68 Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights.EBI Bioorg Med Chem Lett 21: 4228-32 (2011) Nycomed GmbH 2D 3D TSV
21684048 20 Probing the difference between BH3 groove of Mcl-1 and Bcl-2 protein: Implications for dual inhibitors design.EBI Eur J Med Chem 46: 3909-16 (2011) Dalian University of Technology 2D 3D TSV
21683484 8 Application of Ullmann and Ullmann-Finkelstein reactions for the synthesis of N-aryl-N-(1H-pyrazol-3-yl) acetamide or N-(1-aryl-1H-pyrazol-3-yl) acetamide derivatives and pharmacological evaluation.EBI Eur J Med Chem 46: 3867-76 (2011) INSERM 2D 3D TSV
21682298 2 Discovery of a selective allosteric M1 receptor modulator with suitable development properties based on a quinolizidinone carboxylic acid scaffold.EBI J Med Chem 54: 4773-80 (2011) Merck Research Laboratories 2D 3D TSV
21682257 11 Biphenyl-substituted oxazolidinones as cholesteryl ester transfer protein inhibitors: modifications of the oxazolidinone ring leading to the discovery of anacetrapib.EBI J Med Chem 54: 4880-95 (2011) Merck Research Laboratories 2D 3D TSV
21680183 48 Pyrazoline based MAO inhibitors: synthesis, biological evaluation and SAR studies.EBI Bioorg Med Chem Lett 21: 4296-300 (2011) Birla Institute of Technology 2D 3D TSV
21680182 64 Design, synthesis and evaluation of monovalent Smac mimetics that bind to the BIR2 domain of the anti-apoptotic protein XIAP.EBI Bioorg Med Chem Lett 21: 4332-6 (2011) Sanford-Burnham Medical Research Institute 2D 3D TSV
21680062 77 Synthesis and biological evaluation of (±)-3-(2-(2-fluorobenzyloxy) naphthalen-6-yl)-2-aminopropanoic acid derivatives as novel PTP1B inhibitors.EBI Eur J Med Chem 46: 3630-8 (2011) Yanbian University 2D 3D TSV
21679053 22 Acetaldehyde-derived modifications on cytosolic human carbonic anhydrases.BDB J Enzyme Inhib Med Chem 26: 862-70 (2011) University of Tampere and Tampere University Hospital 2D 3D TSV
21676616 15 Side chain SAR of bicyclicß-lactamase inhibitors (BLIs). 2. N-Alkylated and open chain analogs of MK-8712.EBI Bioorg Med Chem Lett 21: 4267-70 (2011) Merck Research Labs 2D 3D TSV
21676612 33 Discovery of a novel series of nonacidic benzofuran EP1 receptor antagonists.EBI Bioorg Med Chem Lett 21: 4343-8 (2011) GlaxoSmithKline 2D 3D TSV
21675777 139 New 2-heterocyclyl-imidazo[2,1-i]purin-5-one derivatives as potent and selective human A3 adenosine receptor antagonists.EBI J Med Chem 54: 5205-20 (2011) Universit£ di Ferrara 2D 3D TSV
21675776 22 Development of endocannabinoid-based chemical probes for the study of cannabinoid receptors.EBI J Med Chem 54: 5265-9 (2011) Universidad Complutense de Madrid 2D 3D TSV
21671327 5 Triptolide directly inhibits dCTP pyrophosphatase.BDB Chembiochem 12: 1767-73 (2011) Yale University 2D 3D TSV
21669533 26 Optimisation of a novel series of selective CNS penetrant CB(2) agonists.EBI Bioorg Med Chem Lett 21: 4284-7 (2011) Pfizer Inc. 2D 3D TSV
21669529 5 Discovery of a new type inhibitor of human glyoxalase I by myricetin-based 4-point pharmacophore.EBI Bioorg Med Chem Lett 21: 4337-42 (2011) Tokyo University of Science 2D 3D TSV
21669528 20 Identification of non-amidine inhibitors of acid-sensing ion channel-3 (ASIC3).EBI Bioorg Med Chem Lett 21: 4255-8 (2011) Merck Research Laboratories 2D 3D TSV
21669525 18 Small molecule inhibitors of SHP2 tyrosine phosphatase discovered by virtual screening.EBI Bioorg Med Chem Lett 21: 4238-42 (2011) Indiana University 2D 3D TSV
21669522 23 In vitro inhibition ofa-carbonic anhydrase isozymes by some phenolic compounds.EBI Bioorg Med Chem Lett 21: 4259-62 (2011) Gumushane University 2D 3D TSV
21669521 44 Selective non zinc binding inhibitors of MMP13.EBI Bioorg Med Chem Lett 21: 4215-9 (2011) AstraZeneca 2D 3D TSV
21667972 5 Benzyl derivatives with in vitro binding affinity for human opioid and cannabinoid receptors from the fungus Eurotium repens.EBI J Nat Prod 74: 1636-9 (2011) The University of Mississippi 2D 3D TSV
21666860 14 Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor.EBI ACS Med Chem Lett 2: 91-96 (2011) Pfizer Inc. 2D 3D TSV
21666830 82 Synthesis and Biological Evaluation of N-Fluoroalkyl and 2-Fluoroalkoxy Substituted Aporphines: Potential PET Ligands for Dopamine D(2) Receptors.EBI ACS Med Chem Lett 2: 189-194 (2011) Harvard Medical School 2D 3D TSV
21665485 4 Synthesis and evaluation of fluorescent heterocyclic aminoadamantanes as multifunctional neuroprotective agents.EBI Bioorg Med Chem 19: 3935-44 (2011) North-West University 2D 3D TSV
21665484 37 Discovery of novel c-Met kinase inhibitors bearing a thieno[2,3-d]pyrimidine or furo[2,3-d]pyrimidine scaffold.EBI Bioorg Med Chem 19: 3906-18 (2011) Chinese Academy of Sciences 2D 3D TSV
21665483 38 Evaluation of NTF1836 as an inhibitor of the mycothiol biosynthetic enzyme MshC in growing and non-replicating Mycobacterium tuberculosis.EBI Bioorg Med Chem 19: 3956-64 (2011) University of California 2D 3D TSV
21665482 62 Facile fabrication of promising protein tyrosine phosphatase (PTP) inhibitor entities based on 'clicked' serine/threonine-monosaccharide hybrids.EBI Bioorg Med Chem 19: 3892-900 (2011) East China University of Science and Technology 2D 3D TSV
21665470 2 Inhibition of a prolyl hydroxylase domain (PHD) by substrate analog peptides.EBI Bioorg Med Chem Lett 21: 4325-8 (2011) Korea Institute of Science and Technology 2D 3D TSV
21664824 38 Inhibition of the cellular function of perforin by 1-amino-2,4-dicyanopyrido[1,2-a]benzimidazoles.EBI Bioorg Med Chem 19: 4091-100 (2011) University of Auckland 2D 3D TSV
21664823 15 Synthesis, structural elucidation, DNA-PK inhibition, homology modelling and anti-platelet activity of morpholino-substituted-1,3-naphth-oxazines.EBI Bioorg Med Chem 19: 3983-94 (2011) La Trobe University 2D 3D TSV
21664815 4 DNA-instructed acyl transfer reactions for the synthesis of bioactive peptides.EBI Bioorg Med Chem Lett 21: 4993-7 (2011) Humboldt-Universit£t zu Berlin 2D 3D TSV
21664729 142 Synthesis and biological activity of tricyclic cycloalkylimidazo-, pyrimido- and diazepinopurinediones.EBI Eur J Med Chem 46: 3590-607 (2011) Jagiellonian University Medical College 2D 3D TSV
21664132 47 Thiophenyl oxime-derived phosphonates as nano-molar class C beta-lactamase inhibitors reducing MIC of imipenem against Pseudomonas aeruginosa and Acinetobacter baumannii.EBI Bioorg Med Chem Lett 21: 4363-5 (2011) Merck& Co. 2D 3D TSV
21664013 8 Single step synthesis of new fused pyrimidine derivatives and their evaluation as potent Aurora-A kinase inhibitors.EBI Eur J Med Chem 46: 3690-5 (2011) Umm Al-Qura University 2D 3D TSV
21664010 1 Synthesis and antiviral evaluation ofa-L-2'-deoxythreofuranosyl nucleosides.EBI Eur J Med Chem 46: 3704-13 (2011) University of Gent 2D 3D TSV
21661760 88 Discovery and SAR of methylated tetrahydropyranyl derivatives as inhibitors of isoprenylcysteine carboxyl methyltransferase (ICMT).EBI J Med Chem 54: 5031-47 (2011) Myrexis, Inc. 2D 3D TSV
21661758 39 Development of a liver-targeted stearoyl-CoA desaturase (SCD) inhibitor (MK-8245) to establish a therapeutic window for the treatment of diabetes and dyslipidemia.EBI J Med Chem 54: 5082-96 (2011) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
21661720 8 Biophysical mapping of the adenosine A2A receptor.EBI J Med Chem 54: 4312-23 (2011) Heptares Therapeutics Limited 2D 3D TSV
21658961 72 Discovery of 4-[4-({(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]benzoic acid hydrochloride: a highly potent orally available CCR5 selective antagonist.EBI Bioorg Med Chem 19: 4028-42 (2011) Ono Pharmaceutical Co. Ltd 2D 3D TSV
21657270 61 Discovery of 1-{4-[1-(2,6-difluorobenzyl)-5-[(dimethylamino)methyl]-3-(6-methoxypyridazin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl]phenyl}-3-methoxyurea (TAK-385) as a potent, orally active, non-peptide antagonist of the human gonadotropin-releasing hormone receptor.EBI J Med Chem 54: 4998-5012 (2011) Takeda Pharmaceutical Company, Ltd. 2D 3D TSV
21657202 28 Synthesis and evaluation of 5-substituted 2'-deoxyuridine monophosphate analogues as inhibitors of flavin-dependent thymidylate synthase in Mycobacterium tuberculosis.EBI J Med Chem 54: 4847-62 (2011) Katholieke Universiteit Leuven 2D 3D TSV
21652207 17 Design driven HtL: The discovery and synthesis of new high efficacyß2-agonists.EBI Bioorg Med Chem Lett 21: 4027-31 (2011) AstraZeneca 2D 3D TSV
21650457 25 Backbone cyclic peptide inhibitors of protein kinase B (PKB/Akt).EBI J Med Chem 54: 5154-64 (2011) The Hebrew University of Jerusalem 2D 3D TSV
21650226 9 Synthesis and biological evaluation of novel thiazolidinedione analogues as 15-hydroxyprostaglandin dehydrogenase inhibitors.EBI J Med Chem 54: 5260-4 (2011) Chosun University 2D 3D TSV
21650221 57 Optimization of the in vitro cardiac safety of hydroxamate-based histone deacetylase inhibitors.EBI J Med Chem 54: 4752-72 (2011) Novartis Institutes for Biomedical Research 2D 3D TSV
21650160 19 Use of structure-based design to discover a potent, selective, in vivo active phosphodiesterase 10A inhibitor lead series for the treatment of schizophrenia.EBI J Med Chem 54: 4536-47 (2011) Pfizer Inc. 2D 3D TSV
21650152 4 The relevance of higher plants in lead compound discovery programs.EBI J Nat Prod 74: 1539-55 (2011) The Ohio State University 2D 3D TSV
21644570 25 Imidazolopiperazines: hit to lead optimization of new antimalarial agents.EBI J Med Chem 54: 5116-30 (2011) Genomics Institute of the Novartis Research Foundation 2D 3D TSV
21644529 2 N-fused imidazoles as novel anticancer agents that inhibit catalytic activity of topoisomerase IIa and induce apoptosis in G1/S phase.EBI J Med Chem 54: 5013-30 (2011) National Institute of Pharmaceutical Education and Research (NIPER) 2D 3D TSV
21643473 7 Elucidation of New Binding Interactions with the Tumor Susceptibility Gene 101 (Tsg101) Protein Using Modified HIV-1 Gag-p6 Derived Peptide Ligands.EBI ACS Med Chem Lett 2: 337-341 (2011) NCI-Frederick 2D 3D TSV
21641798 16 Synthesis of new opioid derivatives with a propellane skeleton and their pharmacology: part 1.EBI Bioorg Med Chem Lett 21: 4104-7 (2011) Kitasato University 2D 3D TSV
21641796 30 Design, synthesis and biological activity of novel peptidyl benzyl ketone FVIIa inhibitors.EBI Bioorg Med Chem Lett 21: 3918-22 (2011) Technical University of Denmark 2D 3D TSV
21641696 450 Combined SVM-based and docking-based virtual screening for retrieving novel inhibitors of c-Met.EBI Eur J Med Chem 46: 3675-80 (2011) Sichuan University 2D 3D TSV
21641219 12 Synthesis of novel triplet drugs with 1,3,5-trioxazatriquinane skeletons and their pharmacologies. 1: Synthesis of triplet drugs with morphinan skeletons.EBI Bioorg Med Chem Lett 21: 4023-6 (2011) Kitasato University 2D 3D TSV
21641217 10 A diazen-1-ium-1,2-diolated nitric oxide donor ester prodrug of 3-(4-hydroxymethylphenyl)-4-(4-methanesulfonylphenyl)-5H-furan-2-one: synthesis, biological evaluation and nitric oxide release studies.EBI Bioorg Med Chem Lett 21: 3951-6 (2011) University of Alberta 2D 3D TSV
21641216 28 Discovery of S1P agonists with a dihydronaphthalene scaffold.EBI Bioorg Med Chem Lett 21: 3885-9 (2011) Ono Pharmaceutical Co., Ltd 2D 3D TSV
21641215 55 Phenyl isoxazole voltage-gated sodium channel blockers: structure and activity relationship.EBI Bioorg Med Chem Lett 21: 3871-6 (2011) AstraZeneca 2D 3D TSV
21641214 20 Flavonoids as inhibitors of human CD38.EBI Bioorg Med Chem Lett 21: 3939-42 (2011) UMR 7200 CNRS-Universit£ de Strasbourg 2D 3D TSV
21641211 14 Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase.EBI Bioorg Med Chem Lett 21: 4066-71 (2011) Pfizer Inc. 2D 3D TSV
21641210 5 A discovery of novel Mycobacterium tuberculosis pantothenate synthetase inhibitors based on the molecular mechanism of actinomycin D inhibition.EBI Bioorg Med Chem Lett 21: 3943-6 (2011) Chinese Academy of Medical Sciences and Peking Union Medical College 2D 3D TSV
21641209 120 Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of tertiary alcohol-bearing piperidines.EBI Bioorg Med Chem Lett 21: 3976-81 (2011) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
21641207 10 New class of acetylcholinesterase inhibitors from the stem bark of Knema laurina and their structural insights.EBI Bioorg Med Chem Lett 21: 4097-103 (2011) University Putra Malaysia 2D 3D TSV
21641093 10 7-Substituted pterins provide a new direction for ricin A chain inhibitors.EBI Eur J Med Chem 46: 3608-15 (2011) University of Texas at Austin 2D 3D TSV
21640588 31 Design, synthesis and activity of a potent, selective series of N-aryl pyridinone inhibitors of p38 kinase.EBI Bioorg Med Chem Lett 21: 4059-65 (2011) Pfizer Inc. 2D 3D TSV
21639134 15 Discovery and optimization of sulfonyl acrylonitriles as selective, covalent inhibitors of protein phosphatase methylesterase-1.EBI J Med Chem 54: 5229-36 (2011) The Scripps Research Institute 2D 3D TSV
21639131 1 Identification of a naturally occurring quinazolin-4(3H)-one firefly luciferase inhibitor.EBI J Nat Prod 74: 1500-2 (2011) MerLion Pharmaceuticals 2D 3D TSV
21639123 1 The use of novel C-methylated spermidine derivatives to investigate the regulation of polyamine metabolism.EBI J Med Chem 54: 4611-8 (2011) University of Eastern Finland 2D 3D TSV
21636270 27 Structure-based design of thienobenzoxepin inhibitors of PI3-kinase.EBI Bioorg Med Chem Lett 21: 4054-8 (2011) Genentech, Inc. 2D 3D TSV
21635213 8 In vitro effects of some anabolic compounds on erythrocyte carbonic anhydrase I and II.BDB J Enzyme Inhib Med Chem 27: 208-10 (2012) Balikesir University 2D 3D TSV
21635211 12 Synthesis and carbonic anhydrase inhibitory properties of novel bromophenols including natural products.BDB J Enzyme Inhib Med Chem 27: 43-50 (2012) AtatŘrk University 2D 3D TSV
21634430 218 Discovery of (2E)-3-{2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl}-N-hydroxyacrylamide (SB939), an orally active histone deacetylase inhibitor with a superior preclinical profile.EBI J Med Chem 54: 4694-720 (2011) S*BIO Pte Ltd. 2D 3D TSV
21634396 55 Discovery and characterization of 6-{4-[3-(R)-2-methylpyrrolidin-1-yl)propoxy]phenyl}-2H-pyridazin-3-one (CEP-26401, irdabisant): a potent, selective histamine H3 receptor inverse agonist.EBI J Med Chem 54: 4781-92 (2011) Cephalon, Inc. 2D 3D TSV
21634377 73 Identification of a potent, state-dependent inhibitor of Nav1.7 with oral efficacy in the formalin model of persistent pain.EBI J Med Chem 54: 4427-45 (2011) Amgen Inc. 2D 3D TSV
21632247 75 Identification of new inhibitors of protein kinase R guided by statistical modeling.EBI Bioorg Med Chem Lett 21: 4108-14 (2011) Weill Cornell Medical College 2D 3D TSV
21632243 48 Methanesulfonamido-cyclohexylamine derivatives of 2,4-diaminopyrimidine as potent ALK inhibitors.EBI Bioorg Med Chem Lett 21: 3877-80 (2011) Cephalon, Inc. 2D 3D TSV
21627121 22 Irreversible Nek2 kinase inhibitors with cellular activity.EBI J Med Chem 54: 4133-46 (2011) University of California 2D 3D TSV
21624711 5 Block of the hERG channel by bupivacaine: Electrophysiological and modeling insights towards stereochemical optimization.EBI Eur J Med Chem 46: 3486-98 (2011) University of Geneva 2D 3D TSV
21623631 42 Structure-activity relationships of a series of analogues of the RFamide-related peptide 26RFa.EBI J Med Chem 54: 4806-14 (2011) INSERM 2D 3D TSV
21623630 108 Synthesis, protein kinase inhibitory potencies, and in vitro antiproliferative activities of meridianin derivatives.EBI J Med Chem 54: 4474-89 (2011) Clermont Universite£ 2D 3D TSV
21621999 33 Peptidomimetic inhibitors of bacterial peptide deformylase.EBI Bioorg Med Chem Lett 21: 4032-5 (2011) Vernalis (R&D) Ltd. 2D 3D TSV
21621998 110 Renin inhibitors for the treatment of hypertension: design and optimization of a novel series of pyridone-substituted piperidines.EBI Bioorg Med Chem Lett 21: 3970-5 (2011) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
21621881 30 Angiotensin-I-converting enzyme inhibitory peptides: Chemical feature based pharmacophore generation.EBI Eur J Med Chem 46: 3428-33 (2011) Zhejiang University 2D 3D TSV
21621811 10 Synthesis and biological activity of derivatives of tetrahydroacridine as acetylcholinesterase inhibitors.BDB Bioorg Chem 39: 138-42 (2011) Medical University of Lodz 2D 3D TSV
21621414 11 Synthesis and discovery of novel hexacyclic cage compounds as inhibitors of acetylcholinesterase.EBI Bioorg Med Chem Lett 21: 3997-4000 (2011) Universiti Sains Malaysia 2D 3D TSV
21621413 24 Discovery and optimization of potent and selective benzonaphthyridinone analogs as small molecule mTOR inhibitors with improved mouse microsome stability.EBI Bioorg Med Chem Lett 21: 4036-40 (2011) Dana Farber Cancer Institute 2D 3D TSV
21621412 6 Triazole-linked reduced amide isosteres: an approach for the fragment-based drug discovery of anti-Alzheimer's BACE1 inhibitors.EBI Bioorg Med Chem Lett 21: 3992-6 (2011) Virginia Tech 2D 3D TSV
21621410 44 Generation of novel radiolabeled opiates through site-selective iodination.EBI Bioorg Med Chem Lett 21: 4001-4 (2011) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
21621312 58 8-Aryl- and alkyloxycaffeine analogues as inhibitors of monoamine oxidase.EBI Eur J Med Chem 46: 3474-85 (2011) North-West University 2D 3D TSV
21620714 35 Preliminary evaluation of a 3H imidazoquinoline library as dual TLR7/TLR8 antagonists.EBI Bioorg Med Chem 19: 3801-11 (2011) University of Kansas 2D 3D TSV
21620713 25 Conformational variability of different sulfonamide inhibitors with thienyl-acetamido moieties attributes to differential binding in the active site of cytosolic human carbonic anhydrase isoforms.EBI Bioorg Med Chem 19: 3732-8 (2011) University of Florida 2D 3D TSV
21620699 51 Substituted N-aryl-6-pyrimidinones: a new class of potent, selective, and orally active p38 MAP kinase inhibitors.EBI Bioorg Med Chem Lett 21: 3856-60 (2011) Pfizer Inc. 2D 3D TSV
21620698 8 Discovery of novel xanthone derivatives as xanthine oxidase inhibitors.EBI Bioorg Med Chem Lett 21: 4013-5 (2011) Second Military Medical University 2D 3D TSV
21620536 1 Recent progress in biological activities of synthesized phenothiazines.EBI Eur J Med Chem 46: 3179-89 (2011) The Medical University of Silesia 2D 3D TSV
21620533 1 Synthesis and biological evaluation of potential 5-HT(7) receptor PET radiotracers.EBI Eur J Med Chem 46: 3455-61 (2011) Universit£ de Lyon 2D 3D TSV
21620531 1 Synthesis and biological evaluation of conformationally flexible as well as restricted dimers of monastrol and related dihydropyrimidones.EBI Eur J Med Chem 46: 3274-81 (2011) Indian Institute of Chemical Technology 2D 3D TSV
21619066 41 Selective kainate receptor (GluK1) ligands structurally based upon 1H-cyclopentapyrimidin-2,4(1H,3H)-dione: synthesis, molecular modeling, and pharmacological and biostructural characterization.EBI J Med Chem 54: 4793-805 (2011) University of Copenhagen 2D 3D TSV
21619045 5 Isoflavone dimers and other bioactive constituents from the figs of Ficus mucuso.EBI J Nat Prod 74: 1370-8 (2011) University of Yaounde 2D 3D TSV
21618986 65 Discovery of N-(1-ethylpropyl)-[3-methoxy-5-(2-methoxy-4-trifluoromethoxyphenyl)-6-methyl-pyrazin-2-yl]amine 59 (NGD 98-2): an orally active corticotropin releasing factor-1 (CRF-1) receptor antagonist.EBI J Med Chem 54: 4187-206 (2011) Neurogen Corporation 2D 3D TSV
21617763 18 Synthesis and Structure-Activity Relationships of Benzothienothiazepinone Inhibitors of Protein Kinase D.EBI ACS Med Chem Lett 2: 154-159 (2012) University of Pittsburgh 2D 3D TSV
21616671 13 Synthesis, structure-affinity relationships, and molecular modeling studies of novel pyrazolo[3,4-c]quinoline derivatives as adenosine receptor antagonists.EBI Bioorg Med Chem 19: 3757-68 (2011) Universita' di Firenze 2D 3D TSV
21616665 17 Triazoles as¿-secretase modulators.EBI Bioorg Med Chem Lett 21: 4083-7 (2011) Merck Research Laboratories Boston 2D 3D TSV
21615150 14 Progress in structure based drug design for G protein-coupled receptors.EBI J Med Chem 54: 4283-311 (2011) Heptares Therapeutics Limited 2D 3D TSV
21615147 230 Leucettines, a class of potent inhibitors of cdc2-like kinases and dual specificity, tyrosine phosphorylation regulated kinases derived from the marine sponge leucettamine B: modulation of alternative pre-RNA splicing.EBI J Med Chem 54: 4172-86 (2011) Universite£? de Rennes 1 2D 3D TSV
21615130 12 Design and synthesis of small molecule RhoA inhibitors: a new promising therapy for cardiovascular diseases?EBI J Med Chem 54: 4508-22 (2011) East China University of Science and Technology 2D 3D TSV
21615078 15 Structure-based design of novel boronic acid-based inhibitors of autotaxin.EBI J Med Chem 54: 4619-26 (2011) The Netherlands Cancer Institute 2D 3D TSV
21612933 17 New FAAH inhibitors based on 3-carboxamido-5-aryl-isoxazole scaffold that protect against experimental colitis.EBI Bioorg Med Chem 19: 3777-86 (2011) Universit£ Lille Nord de France 2D 3D TSV
21612925 18 3-substitued indoles: one-pot synthesis and evaluation of anticancer and Src kinase inhibitory activities.EBI Bioorg Med Chem Lett 21: 3511-4 (2011) India Institute of Technology and Science 2D 3D TSV
21612376 6 Carbonic anhydrase I and II inhibition with natural products: caffeine and piperine.BDB J Enzyme Inhib Med Chem 27: 97-100 (2012) GITAM University 2D 3D TSV
21612300 30 Novel 3,5-bis(bromohydroxybenzylidene)piperidin-4-ones as coactivator-associated arginine methyltransferase 1 inhibitors: enzyme selectivity and cellular activity.EBI J Med Chem 54: 4928-32 (2011) The University of Texas MD Anderson Cancer Center 2D 3D TSV
21612232 113 Phospshoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors: discovery and structure-activity relationships of a series of quinoline and quinoxaline derivatives.EBI J Med Chem 54: 4735-51 (2011) Amgen Inc. 2D 3D TSV
21609838 4 Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.BDB Chem Biol 18: 569-79 (2011) University of Edinburgh 2D 3D TSV
21609408 6 Pyrone-based inhibitors of metalloproteinase types 2 and 3 may work as conformation-selective inhibitors.BDB Chem Biol Drug Des 78: 191-8 (2011) University of California at San Diego 2D 3D TSV
21608528 166 Discovery of a 5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one (MK-2461) inhibitor of c-Met kinase for the treatment of cancer.EBI J Med Chem 54: 4092-108 (2011) Merck Research Laboratories 2D 3D TSV
21605975 31 Discovery of a macrocyclic o-aminobenzamide Hsp90 inhibitor with heterocyclic tether that shows extended biomarker activity and in vivo efficacy in a mouse xenograft model.EBI Bioorg Med Chem Lett 21: 3627-31 (2011) Pfizer Inc. 2D 3D TSV
21605973 69 Potent and selective oxindole-based vasopressin 1b receptor antagonists with improved pharmacokinetic properties.EBI Bioorg Med Chem Lett 21: 3828-31 (2011) Abbott 2D 3D TSV
21604762 152 Discovery of the macrocycle 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene (SB1518), a potent Janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) inhibitor for the treatment of myelofibrosis and lymphEBI J Med Chem 54: 4638-58 (2011) S*BIO Pte. Ltd. 2D 3D TSV
21604760 31 Structure-based design of potent aromatase inhibitors by high-throughput docking.EBI J Med Chem 54: 4006-17 (2011) Universita` di Modena e Reggio Emilia 2D 3D TSV
21602048 7 Syntheses of cellotriose and cellotetraose analogues as transition state mimics for mechanistic studies of cellulases.EBI Bioorg Med Chem 19: 3812-30 (2011) Hirosaki University 2D 3D TSV
21602044 6 Methyl-monofluorination of ibuprofen selectively increases its inhibitory activity toward cyclooxygenase-1 leading to enhanced analgesic activity and reduced gastric damage in vivo.EBI Bioorg Med Chem Lett 21: 3578-82 (2011) Shanghai Haini Pharmaceutical Co. Ltd. 2D 3D TSV
21602043 50 Triazoloquinazolines as a novel class of phosphodiesterase 10A (PDE10A) inhibitors.EBI Bioorg Med Chem Lett 21: 3738-42 (2011) H. Lundbeck A/S 2D 3D TSV
21601454 26 Identification and optimisation of novel sulfonamide, selective vasopressin V1B receptor antagonists.EBI Bioorg Med Chem Lett 21: 3603-7 (2011) MSD 2D 3D TSV
21601452 2 Tetrazine-trans-cyclooctene ligation for the rapid construction of integrinavß3 targeted PET tracer based on a cyclic RGD peptide.EBI Bioorg Med Chem Lett 21: 5011-4 (2011) University of Delaware 2D 3D TSV
21601317 47 Synthesis and structural investigation of some pyrimido[5,4-c]quinolin-4(3H)-one derivatives with a long-chain arylpiperazine moiety as potent 5-HT(1A/2A) and 5-HT(7) receptor ligands.EBI Eur J Med Chem 46: 3348-61 (2011) Medical University of Lodz 2D 3D TSV
21600681 4 Synthesis and evaluation of mansonone F derivatives as topoisomerase inhibitors.EBI Eur J Med Chem 46: 3339-47 (2011) Sun Yat-sen University 2D 3D TSV
21600680 9 Site-directed mutagenesis provides insights into the selective binding of trityl derivatives to Plasmodium falciparum dUTPase.EBI Eur J Med Chem 46: 3309-14 (2011) Instituto de Parasitolog£a y Biomedicina L£pez-Neyra 2D 3D TSV
21599022 66 Bivalent dopamine D2 receptor ligands: synthesis and binding properties.EBI J Med Chem 54: 4896-903 (2011) Friedrich-Alexander University 2D 3D TSV
21599020 2 Total synthesis and pharmacological characterization of solomonsterol A, a potent marine pregnane-X-receptor agonist endowed with anti-inflammatory activity.EBI J Med Chem 54: 4590-9 (2011) Universita di Napoli Federico II 2D 3D TSV
21599003 28 Profiling of a prescription drug library for potential renal drug-drug interactions mediated by the organic cation transporter 2.EBI J Med Chem 54: 4548-58 (2011) University of California-San Francisco 2D 3D TSV
21599002 19 Structure-activity relationships of carboline and carbazole derivatives as a novel class of ATP-competitive kinesin spindle protein inhibitors.EBI J Med Chem 54: 4839-46 (2011) Kyoto University 2D 3D TSV
21599001 6 Novel flavonoids with antiproliferative activities against breast cancer cells.EBI J Med Chem 54: 4339-49 (2011) University of California Davis 2D 3D TSV
21596573 46 Inhibitors of histone demethylases.EBI Bioorg Med Chem 19: 3625-36 (2011) University of Copenhagen 2D 3D TSV
21596563 33 Synthesis and SAR studies of novel 2-(6-aminomethylaryl-2-aryl-4-oxo-quinazolin-3(4H)-yl)acetamide vasopressin V1b receptor antagonists.EBI Bioorg Med Chem Lett 21: 3813-7 (2011) MSD 2D 3D TSV
21596562 9 Design and synthesis of protein kinase Ca activators based on 'out of pocket' interactions.EBI Bioorg Med Chem Lett 21: 3587-90 (2011) RIKEN Advanced Science Institute 2D 3D TSV
21592794 6 Glucosides with cyclic diarylpolynoid as novel C-aryl glucoside SGLT2 inhibitors.EBI Bioorg Med Chem Lett 21: 3759-63 (2011) Green Cross Corporation 2D 3D TSV
21592791 61 Switching between agonists and antagonists at CRTh2 in a series of highly potent and selective biaryl phenoxyacetic acids.EBI Bioorg Med Chem Lett 21: 3616-21 (2011) AstraZeneca R&D Charnwood 2D 3D TSV
21592788 6 Synthesis and biological evaluation of desmethylveramiline, a micromolar Hedgehog inhibitor.EBI Bioorg Med Chem Lett 21: 3608-12 (2011) UMR 7200 CNRS-Universit£ de Strasbourg Facult£ de Pharmacie 2D 3D TSV
21591752 41 Identification of N-propylnoraporphin-11-yl 5-(1,2-dithiolan-3-yl)pentanoate as a new anti-Parkinson's agent possessing a dopamine D2 and serotonin 5-HT1A dual-agonist profile.EBI J Med Chem 54: 4324-38 (2011) Soochow University College of Pharmaceutical Sciences 2D 3D TSV
21591694 34 Development ofß-amino alcohol derivatives that inhibit Toll-like receptor 4 mediated inflammatory response as potential antiseptics.EBI J Med Chem 54: 4659-69 (2011) University of Colorado at Boulder 2D 3D TSV
21591611 107 Discovery and biological evaluation of a novel class of dual microsomal prostaglandin E2 synthase-1/5-lipoxygenase inhibitors based on 2-[(4,6-diphenethoxypyrimidin-2-yl)thio]hexanoic acid.EBI J Med Chem 54: 4490-507 (2011) ZAFES/LiFF/Goethe-University Frankfurt 2D 3D TSV
21591606 7 Fenretinide derivatives act as disrupters of interactions of serum retinol binding protein (sRBP) with transthyretin and the sRBP receptor.EBI J Med Chem 54: 4378-87 (2011) National University of Ireland 2D 3D TSV
21576023 2 Exploration of acridine scaffold as a potentially interesting scaffold for discovering novel multi-target VEGFR-2 and Src kinase inhibitors.EBI Bioorg Med Chem 19: 3312-9 (2011) Tsinghua University 2D 3D TSV
21576018 10 Identification of 4H,6H-[2]benzoxepino[4,5-c][1,2]oxazoles as novel squalene synthase inhibitors.EBI Bioorg Med Chem Lett 21: 3648-53 (2011) Bayer Pharma AG 2D 3D TSV
21574625 22 Structure-activity relationship studies to probe the phosphoprotein binding site on the carboxy terminal domains of the breast cancer susceptibility gene 1.EBI J Med Chem 54: 4264-8 (2011) University of Nebraska Medical Center 2D 3D TSV
21574568 8 Toluidinesulfonamide hypoxia-induced factor 1 inhibitors: alleviating drug-drug interactions through use of PubChem data and comparative molecular field analysis guided synthesis.EBI J Med Chem 54: 3982-6 (2011) Elara Pharmaceuticals GmbH 2D 3D TSV
21572589 1 Discovery of 3,5-Diamino-1,2,4-triazole Ureas as Potent Anaplastic Lymphoma Kinase Inhibitors.EBI ACS Med Chem Lett 2: 379-384 (2011) TBA 2D 3D TSV
21571537 14 New 5-deoxyflavonoids and their inhibitory effects on protein tyrosine phosphatase 1B (PTP1B) activity.EBI Bioorg Med Chem 19: 3378-83 (2011) Chosun University 2D 3D TSV
21571536 26 Elucidation of common pharmacophores from analysis of targeted metabolites transported by the multispecific drug transporter-Organic anion transporter1 (Oat1).EBI Bioorg Med Chem 19: 3320-40 (2011) University of California 2D 3D TSV
21571530 62 Discovery of a potent and selective small molecule hGPR91 antagonist.EBI Bioorg Med Chem Lett 21: 3596-602 (2011) Advinus Therapeutics 2D 3D TSV
21570853 5 Evaluation of sulfatase-directed quinone methide traps for proteomics.EBI Bioorg Med Chem 20: 622-7 (2012) Bielefeld University 2D 3D TSV
21570852 84 CXCR3 antagonists: quaternary ammonium salts equipped with biphenyl- and polycycloaliphatic-anchors.EBI Bioorg Med Chem 19: 3384-93 (2011) VU University Amsterdam 2D 3D TSV
21570844 22 The role of the 4''-hydroxyl on motilin agonist potency in the 9-dihydroerythromycin series.EBI Bioorg Med Chem Lett 21: 3712-4 (2011) Kosan Biosciences, Inc. 2D 3D TSV
21570840 44 Synthesis and SAR development of novel P2X7 receptor antagonists for the treatment of pain: part 1.EBI Bioorg Med Chem Lett 21: 3805-8 (2011) Merck Research Laboratories 2D 3D TSV
21570836 78 Highly selective c-Jun N-terminal kinase (JNK) 3 inhibitors with in vitro CNS-like pharmacokinetic properties II. Central core replacement.EBI Bioorg Med Chem Lett 21: 3726-9 (2011) Elan Pharmaceuticals 2D 3D TSV
21570835 78 Inhibition studies with anions and small molecules of two novel β-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium.EBI Bioorg Med Chem Lett 21: 3591-5 (2011) Universit£ degli Studi di Firenze 2D 3D TSV
21570751 8 Synthesis, biological activity and HPLC validation of 1,2,3,4-tetrahydroacridine derivatives as acetylcholinesterase inhibitors.EBI Eur J Med Chem 46: 3250-7 (2011) Medical University 2D 3D TSV
21570310 74 Identification of 2-mercaptohexanoic acids as dual inhibitors of 5-lipoxygenase and microsomal prostaglandin E2 synthase-1.EBI Bioorg Med Chem 19: 3394-401 (2011) Eberhard Karls University Tuebingen 2D 3D TSV
21570309 42 Design, synthesis, and biological evaluation of substituted hydrazone and pyrazole derivatives as selective COX-2 inhibitors: Molecular docking study.EBI Bioorg Med Chem 19: 3416-24 (2011) University of Mansoura 2D 3D TSV
21570308 55 Synthesis and biological evaluation of loxoprofen derivatives.EBI Bioorg Med Chem 19: 3299-311 (2011) Kumamoto University 2D 3D TSV
21570305 13 Probes for narcotic receptor mediated phenomena. Part 42: synthesis and in vitro pharmacological characterization of the N-methyl and N-phenethyl analogues of the racemic ortho-c and para-c oxide-bridged phenylmorphans.EBI Bioorg Med Chem 19: 3434-43 (2011) National Institute on Drug Abuse and The National Institute on Alcohol Abuse and Alcoholism 2D 3D TSV
21570288 57 Discovery of XEN907, a spirooxindole blocker of NaV1.7 for the treatment of pain.EBI Bioorg Med Chem Lett 21: 3676-81 (2011) Xenon Pharmaceuticals Inc. 2D 3D TSV
21570287 53 Discovery, design and synthesis of the first reported potent and selective sphingosine-1-phosphate 4 (S1P4) receptor antagonists.EBI Bioorg Med Chem Lett 21: 3632-6 (2011) The Scripps Research Institute 2D 3D TSV
21570283 29 Discovery of DA-1229: a potent, long acting dipeptidyl peptidase-4 inhibitor for the treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 21: 3809-12 (2011) Dong-A Pharm. Co., Ltd 2D 3D TSV
21570282 28 Solid phase synthesis of tariquidar-related modulators of ABC transporters preferring breast cancer resistance protein (ABCG2).EBI Bioorg Med Chem Lett 21: 3654-7 (2011) Universidad Nacional de Colombia 2D 3D TSV
21568322 16 Discovery and characterization of small molecule inhibitors of the BET family bromodomains.EBI J Med Chem 54: 3827-38 (2011) GlaxoSmithKline R&D 2D 3D TSV
21568291 30 Synthesis of a novel series of tricyclic dihydrofuran derivatives: discovery of 8,9-dihydrofuro[3,2-c]pyrazolo[1,5-a]pyridines as melatonin receptor (MT1/MT2) ligands.EBI J Med Chem 54: 4207-18 (2011) Takeda Pharmaceutical Company Limited 2D 3D TSV
21566738 3 Virtual screening for potential inhibitors of homology modeled Leptospira interrogans MurD ligase.BDB J Chem Biol 3: 175-87 (2010) SVIMS University 2D 3D TSV
21565500 7 Structure-based lead identification of ATP-competitive MK2 inhibitors.EBI Bioorg Med Chem Lett 21: 3818-22 (2011) Merck Research Laboratories 2D 3D TSV
21565499 32 Optimization of the physicochemical and pharmacokinetic attributes in a 6-azauracil series of P2X7 receptor antagonists leading to the discovery of the clinical candidate CE-224,535.EBI Bioorg Med Chem Lett 21: 3708-11 (2011) Pfizer Inc. 2D 3D TSV
21565498 54 Discovery of selective and orally available spiro-3-piperidyl ATP-competitive MK2 inhibitors.EBI Bioorg Med Chem Lett 21: 3823-7 (2011) Merck Research Laboratories 2D 3D TSV
21565497 38 Optimization of triazoles as novel and potent nonphlorizin SGLT2 inhibitors.EBI Bioorg Med Chem Lett 21: 3774-9 (2011) Amgen Inc. 2D 3D TSV
21561771 39 Discovery of novel tetracyclic compounds as anaplastic lymphoma kinase inhibitors.EBI Bioorg Med Chem Lett 21: 3788-93 (2011) Chugai Pharmaceutical Co. Ltd. 2D 3D TSV
21561770 28 High affinity sialoside ligands of myelin associated glycoprotein.EBI Bioorg Med Chem Lett 21: 5045-9 (2011) The Scripps Research Institute 2D 3D TSV
21561768 12 Identification and synthesis of N'-(2-oxoindolin-3-ylidene)hydrazide derivatives against c-Met kinase.EBI Bioorg Med Chem Lett 21: 3749-54 (2011) Chinese Academy of Sciences 2D 3D TSV
21561767 48 Discovery of 5-(arenethynyl) hetero-monocyclic derivatives as potent inhibitors of BCR-ABL including the T315I gatekeeper mutant.EBI Bioorg Med Chem Lett 21: 3743-8 (2011) ARIAD Pharmaceuticals, Inc. 2D 3D TSV
21561155 17 Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies.EBI J Med Chem 54: 4721-34 (2011) Baylor College of Medicine 2D 3D TSV
21561152 29 Synthesis and evaluation of diarylthiazole derivatives that inhibit activation of sterol regulatory element-binding proteins.EBI J Med Chem 54: 4923-7 (2011) Kyoto University 2D 3D TSV
21561086 21 Selective inhibition of the tumor marker aldo-keto reductase family member 1B10 by oleanolic acid.EBI J Nat Prod 74: 1201-6 (2011) Gifu Pharmaceutical University 2D 3D TSV
21557540 39 Discovery of a series of imidazo[4,5-b]pyridines with dual activity at angiotensin II type 1 receptor and peroxisome proliferator-activated receptor-¿.EBI J Med Chem 54: 4219-33 (2011) Pfizer Inc. 2D 3D TSV
21555224 16 Quinoline-4-methyl esters as human nonpancreatic secretory phospholipase A2 inhibitors.EBI Bioorg Med Chem 19: 3361-6 (2011) Peking University 2D 3D TSV
21555222 25 Molecular hybridization of 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecane-3-ol with sigma (s) receptor ligands modulates off-target activity and subtype selectivity.EBI Bioorg Med Chem Lett 21: 3622-6 (2011) The University of Sydney 2D 3D TSV
21555221 44 Design, synthesis, and evaluation of bromo-retrochalcone derivatives as protein tyrosine phosphatase 1B inhibitors.EBI Bioorg Med Chem Lett 21: 3755-8 (2011) Chonnam National University 2D 3D TSV
21550809 44 Design, synthesis, biological evaluation and X-ray crystal structure of novel classical 6,5,6-tricyclic benzo[4,5]thieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors.EBI Bioorg Med Chem 19: 3585-94 (2011) Duquesne University 2D 3D TSV
21550808 25 1-Heteroaryl-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane: further insights into a class of triple re-uptake inhibitors.EBI Bioorg Med Chem 19: 3451-61 (2011) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
21550699 24 New 2-thioether-substituted apomorphines as potent and selective dopamine D2 receptor agonists.EBI Eur J Med Chem 46: 2992-9 (2011) University of Tartu 2D 3D TSV
21550240 9 From benzimidazole to indole-5-carboxamide Thumb Pocket I inhibitors of HCV NS5B polymerase. Part 1: indole C-2 SAR and discovery of diamide derivatives with nanomolar potency in cell-based subgenomic replicons.EBI Bioorg Med Chem Lett 21: 3658-63 (2011) Boehringer Ingelheim (Canada) Ltd 2D 3D TSV
21550236 44 Orally active aminopyridines as inhibitors of tetrameric fructose-1,6-bisphosphatase.EBI Bioorg Med Chem Lett 21: 3237-42 (2011) F. Hoffmann-La Roche Ltd 2D 3D TSV
21549597 71 Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action.EBI Bioorg Med Chem Lett 21: 3216-21 (2011) U.O. Oculistica Az. USL 3 2D 3D TSV
21549593 3 Toward self-adjuvanting subunit vaccines: model peptide and protein antigens incorporating covalently bound toll-like receptor-7 agonistic imidazoquinolines.EBI Bioorg Med Chem Lett 21: 3232-6 (2011) University of Kansas 2D 3D TSV
21549456 10 Discovery of LASSBio-772, a 1,3-benzodioxole N-phenylpiperazine derivative with potent alpha 1A/D-adrenergic receptor blocking properties.EBI Eur J Med Chem 46: 3000-12 (2011) Universidade Federal do Rio de Janeiro 2D 3D TSV
21548582 57 Design, synthesis, docking, and biological evaluation of novel diazide-containing isoxazole- and pyrazole-based histone deacetylase probes.EBI J Med Chem 54: 4350-64 (2011) University of Illinois at Chicago 2D 3D TSV
21548579 4 Hippolides A-H, acyclic manoalide derivatives from the marine sponge Hippospongia lachne.EBI J Nat Prod 74: 1248-54 (2011) Second Military Medical University 2D 3D TSV
21546253 41 Docking and SAR studies of D- and L-isofagomine isomers as humanß-glucocerebrosidase inhibitors.EBI Bioorg Med Chem 19: 3558-68 (2011) University of Toyama 2D 3D TSV
21546249 42 Potent mGluR5 antagonists: pyridyl and thiazolyl-ethynyl-3,5-disubstituted-phenyl series.EBI Bioorg Med Chem Lett 21: 3243-7 (2011) Institute for Neurodegenerative Disorders 2D 3D TSV
21546135 10 Mycobacterium tuberculosis and cholinesterase inhibitors from Voacanga globosa.EBI Eur J Med Chem 46: 3118-23 (2011) University of Santo Tomas 2D 3D TSV
21545152 3 Discovery and characterization of a nonphosphorylated cyclic peptide inhibitor of the peptidylprolyl isomerase, Pin1.EBI J Med Chem 54: 3854-65 (2011) The University of Western Ontario 2D 3D TSV
21543226 26 Design and synthesis of 5,6-fused heterocyclic amides as Raf kinase inhibitors.EBI Bioorg Med Chem Lett 21: 3286-9 (2011) Novartis Institutes for Biomedical Research 2D 3D TSV
21542630 135 Discovery of dual target inhibitors against cyclooxygenases and leukotriene A4 hydrolyase.EBI J Med Chem 54: 3650-60 (2011) Peking University 2D 3D TSV
21542600 4 Inverse virtual screening of antitumor targets: pilot study on a small database of natural bioactive compounds.EBI J Nat Prod 74: 1401-7 (2011) Universita di Salerno 2D 3D TSV
21539377 62 Novel 4,4-disubstituted piperidine-based C-C chemokine receptor-5 inhibitors with high potency against human immunodeficiency virus-1 and an improved human ether-a-go-go related gene (hERG) profile.EBI J Med Chem 54: 3756-67 (2011) GlaxoSmithKline 2D 3D TSV
21539312 58 Potent, selective, and orally available benzoisothiazolone phosphomannose isomerase inhibitors as probes for congenital disorder of glycosylation Ia.EBI J Med Chem 54: 3661-8 (2011) Sanford-Burnham Medical Research Institute 2D 3D TSV
21539301 9 Cryptocaryols A-H,a-pyrone-containing 1,3-polyols from Cryptocarya sp. implicated in stabilizing the tumor suppressor Pdcd4.EBI J Nat Prod 74: 1015-20 (2011) National Cancer Institute 2D 3D TSV
21538764 6 Identification and characterization of new inhibitors of fungal homoserine kinase.BDB Chembiochem 12: 1179-82 (2011) McMaster University 2D 3D TSV
21536449 16 Design and evaluation of 3-aminopyrazolopyridinone kinase inhibitors inspired by the natural product indirubin.EBI Bioorg Med Chem 19: 3569-78 (2011) Institute of Cancer Research 2D 3D TSV
21536445 63 Synthesis and characterization of selective dopamine D2 receptor ligands using aripiprazole as the lead compound.EBI Bioorg Med Chem 19: 3502-11 (2011) Washington University School of Medicine 2D 3D TSV
21536438 74 Discovery of a nortropanol derivative as a potent and orally active GPR119 agonist for type 2 diabetes.EBI Bioorg Med Chem Lett 21: 3290-6 (2011) Merck Research Laboratories 2D 3D TSV
21536437 219 Orally active achiral N-hydroxyformamide inhibitors of ADAM-TS4 (aggrecanase-1) and ADAM-TS5 (aggrecanase-2) for the treatment of osteoarthritis.EBI Bioorg Med Chem Lett 21: 3301-6 (2011) AstraZeneca 2D 3D TSV
21536435 90 Synthesis and in vitro activity of N-benzyl-1-(2,3-dichlorophenyl)-1H-tetrazol-5-amine P2X(7) antagonists.EBI Bioorg Med Chem Lett 21: 3297-300 (2011) Abbott Laboratories 2D 3D TSV
21536432 54 Non-oxime pyrazole based inhibitors of B-Raf kinase.EBI Bioorg Med Chem Lett 21: 3488-92 (2011) Array BioPharma 2D 3D TSV
21534860 10 Evaluation of in vitro effects of some analgesic drugs on erythrocyte and recombinant carbonic anhydrase I and II.BDB J Enzyme Inhib Med Chem 27: 37-42 (2012) Balikesir University 2D 3D TSV
21534605 11 Design, synthesis, and biological activities of closantel analogues: structural promiscuity and its impact on Onchocerca volvulus.EBI J Med Chem 54: 3963-72 (2011) The Skaggs Institute for Chemical Biology 2D 3D TSV
21534527 2 Inhibition of Myosin ATPase activity by halogenated pseudilins: a structure-activity study.EBI J Med Chem 54: 3675-85 (2011) Hannover Medical School 2D 3D TSV
21531557 16 Identification of plasmepsin inhibitors as selective anti-malarial agents using ligand based drug design.EBI Bioorg Med Chem Lett 21: 3335-41 (2011) Trinity College 2D 3D TSV
21531556 8 Synthesis and biological evaluation of 3-alkyl-dihydrotetrabenazine derivatives as vesicular monoamine transporter-2 (VMAT2) ligands.EBI Bioorg Med Chem Lett 21: 3435-8 (2011) University of Pennsylvania 2D 3D TSV
21531141 15 Design, synthesis and pharmacological evaluation of spirocyclics(1) receptor ligands with exocyclic amino moiety (increased distance 1).EBI Bioorg Med Chem 19: 3141-51 (2011) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
21531137 92 Efficacy switching SAR of mGluR5 allosteric modulators: highly potent positive and negative modulators from one chemotype.EBI Bioorg Med Chem Lett 21: 3407-10 (2011) H. Lundbeck A/S 2D 3D TSV
21531136 69 Naphthol derivatives as TRPV1 inhibitors for the treatment of urinary incontinence.EBI Bioorg Med Chem Lett 21: 3354-7 (2011) Bayer Yakuhin, Ltd 2D 3D TSV
21531055 14 Identification of 5-arylidene-4-thiazolidinone derivatives endowed with dual activity as aldose reductase inhibitors and antioxidant agents for the treatment of diabetic complications.EBI Eur J Med Chem 46: 2797-806 (2011) Universit£ di Messina 2D 3D TSV
21530278 4 Design, synthesis and inhibition activity of a novel cyclic enediyne amino acid conjugates against MPtpA.EBI Bioorg Med Chem 19: 3274-9 (2011) India Institute of Technology 2D 3D TSV
21530277 3 Molecular docking studies and in vitro screening of new dihydropyridine derivatives as human MRP1 inhibitors.EBI Bioorg Med Chem 19: 3249-54 (2011) Kakatiya University 2D 3D TSV
21530275 42 Structure-based design, synthesis, and nonalcoholic steatohepatitis (NASH)-preventive effect of phenylpropanoic acid peroxisome proliferator-activated receptor (PPAR)a-selective agonists.EBI Bioorg Med Chem 19: 3183-91 (2011) Okayama University 2D 3D TSV
21530250 73 Phosphodiesterase inhibitors. Part 1: Synthesis and structure-activity relationships of pyrazolopyridine-pyridazinone PDE inhibitors developed from ibudilast.EBI Bioorg Med Chem Lett 21: 3307-12 (2011) Heriot-Watt University 2D 3D TSV
21528910 87 Pyrimidine nucleotides with 4-alkyloxyimino and terminal tetraphosphated-ester modifications as selective agonists of the P2Y(4) receptor.EBI J Med Chem 54: 4018-33 (2011) NIDDK 2D 3D TSV
21528845 7 Two-step synthesis of novel, bioactive derivatives of the ubiquitous cofactor nicotinamide adenine dinucleotide (NAD).EBI J Med Chem 54: 3492-9 (2011) University of East Anglia 2D 3D TSV
21526763 38 Adenosine-derived inhibitors of 78 kDa glucose regulated protein (Grp78) ATPase: insights into isoform selectivity.BDB J Med Chem 54: 4034-41 (2011) Vernalis (R&D) Ltd. 2D 3D TSV
21524587 6 Synthesis and evaluation of carbaborane derivatives of indomethacin as cyclooxygenase inhibitors.EBI Bioorg Med Chem 19: 3242-8 (2011) Universit£t Leipzig 2D 3D TSV
21524581 105 Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinyl carbamates as potent and long acting muscarinic antagonists.EBI Bioorg Med Chem Lett 21: 3457-61 (2011) Rhône-Poulenc Rorer 2D 3D TSV
21524576 69 2,6-Disubstituted pyrazines and related analogs as NR2B site antagonists of the NMDA receptor with anti-depressant activity.EBI Bioorg Med Chem Lett 21: 3399-403 (2011) AstraZeneca Pharmaceuticals 2D 3D TSV
21524503 73 Dual IGF-1R/SRC inhibitors based on a N'-aroyl-2-(1H-indol-3-yl)-2-oxoacetohydrazide structure.EBI Eur J Med Chem 46: 2759-69 (2011) Technische Universit£t Braunschweig 2D 3D TSV
21524149 13 Design, synthesis and pharmacological evaluation of conformationally restricted N-arylsulfonyl-3-aminoalkoxy indoles as a potential 5-HT6 receptor ligands.BDB J Enzyme Inhib Med Chem 26: 341-9 (2011) Suven Life Sciences Ltd 2D 3D TSV
21524089 8 Nobilamides A-H, long-acting transient receptor potential vanilloid-1 (TRPV1) antagonists from mollusk-associated bacteria.EBI J Med Chem 54: 3746-55 (2011) University of Utah 2D 3D TSV
21520940 40 Design, synthesis, radiolabeling, and in vitro and in vivo evaluation of bridgehead iodinated analogues of N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)cyclohexanecarboxamide (WAY-100635) as potential SPECT ligands for the 5-HT1A receptor.EBI J Med Chem 54: 3480-91 (2011) VU University Medical Center 2D 3D TSV
21517068 45 Acenaphtho[1,2-b]pyrrole-based selective fibroblast growth factor receptors 1 (FGFR1) inhibitors: design, synthesis, and biological activity.EBI J Med Chem 54: 3732-45 (2011) East China University of Science and Technology 2D 3D TSV
21517059 86 Lead optimization of aryl and aralkyl amine-based triazolopyrimidine inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with antimalarial activity in mice.EBI J Med Chem 54: 3935-49 (2011) University of Washington 2D 3D TSV
21515063 60 Biological evaluation of novel benzisoxazole derivatives as PPARd agonists.EBI Bioorg Med Chem 19: 3255-64 (2011) Nippon Chemiphar Co. Ltd 2D 3D TSV
21515061 22 Virtual screening and further development of novel ALK inhibitors.EBI Bioorg Med Chem 19: 3086-95 (2011) PharmaDesign, Inc. 2D 3D TSV
21515057 153 Sulfonamides incorporating 1,3,5-triazine moieties selectively and potently inhibit carbonic anhydrase transmembrane isoforms IX, XII and XIV over cytosolic isoforms I and II: Solution and X-ray crystallographic studies.EBI Bioorg Med Chem 19: 3105-19 (2011) Universit£ degli Studi di Firenze 2D 3D TSV
21515056 61 Design of small molecule inhibitors of acetyl-CoA carboxylase 1 and 2 showing reduction of hepatic malonyl-CoA levels in vivo in obese Zucker rats.EBI Bioorg Med Chem 19: 3039-53 (2011) AstraZeneca Research and Development 2D 3D TSV
21515054 25 Synthesis and evaluation of heteroarylalanine diacids as potent and selective neutral endopeptidase inhibitors.EBI Bioorg Med Chem Lett 21: 3404-6 (2011) Pfizer Inc. 2D 3D TSV
21515053 58 New indole amide derivatives as potent CRTH2 receptor antagonists.EBI Bioorg Med Chem Lett 21: 3471-4 (2011) Merck Frosst 2D 3D TSV
21515051 23 Design of a potent, soluble glucokinase activator with increased pharmacokinetic half-life.EBI Bioorg Med Chem Lett 21: 3467-70 (2011) AstraZeneca R&D 2D 3D TSV
21515049 2 Macrocyclic lactams as potent Hsp90 inhibitors with excellent tumor exposure and extended biomarker activity.EBI Bioorg Med Chem Lett 21: 3411-6 (2011) Pfizer Inc. 2D 3D TSV
21515047 24 3-Amino-pyrazolo[3,4-d]pyrimidines as p38a kinase inhibitors: design and development to a highly selective lead.EBI Bioorg Med Chem Lett 21: 3452-6 (2011) Roche Palo Alto 2D 3D TSV
21515045 2 Synthesis and bioactivity of new Finasteride conjugate.EBI Bioorg Med Chem Lett 21: 3439-42 (2011) Jilin University 2D 3D TSV
21514979 92 Novel 4-phenylpiperidine-2,6-dione derivatives. Ligands fora1-adrenoceptor subtypes.EBI Eur J Med Chem 46: 2676-90 (2011) Universit£ di Catania 2D 3D TSV
21514830 39 Peroxisome proliferator-activated receptor agonists with phenethylphenylphthalimide skeleton derived from thalidomide-related liver X receptor antagonists: relationship between absolute configuration and subtype selectivity.EBI Bioorg Med Chem 19: 3156-72 (2011) The University of Tokyo 2D 3D TSV
21514825 81 3-Oxo-2-piperazinyl acetamides as potent bradykinin B1 receptor antagonists for the treatment of pain and inflammation.EBI Bioorg Med Chem Lett 21: 3384-9 (2011) Amgen, Inc. 2D 3D TSV
21514824 91 3-Substituted 3-(4-aryloxyaryl)-propanoic acids as GPR40 agonists.EBI Bioorg Med Chem Lett 21: 3390-4 (2011) Merck Research Laboratories 2D 3D TSV
21514702 20 Synthesis, biological evaluation, and docking studies of gigantol analogs as calmodulin inhibitors.EBI Eur J Med Chem 46: 2699-708 (2011) Universidad Nacional Aut£noma de M£xico 2D 3D TSV
21514700 56 Synthesis and biological evaluation in U87MG glioma cells of (ethynylthiophene)sulfonamido-based hydroxamates as matrix metalloproteinase inhibitors.EBI Eur J Med Chem 46: 2617-29 (2011) Universit£ di Pisa 2D 3D TSV
21514152 13 New halogenated phenylcoumarins as tyrosinase inhibitors.EBI Bioorg Med Chem Lett 21: 3342-5 (2011) Universidad de Santiago de Compostela 2D 3D TSV
21514014 45 Thiazolylmethyl ortho-substituted phenyl glucoside library as novel C-aryl glucoside SGLT2 inhibitors.EBI Eur J Med Chem 46: 2662-75 (2011) Green Cross Corporation Research Center 2D 3D TSV
21513882 3 Sequential mechanism of assembly of multidrug efflux pump AcrAB-TolC.BDB Chem Biol 18: 454-63 (2011) University of Oklahoma 2D 3D TSV
21513293 7 Resorcylic acid lactones with cytotoxic and NF-¿B inhibitory activities and their structure-activity relationships.EBI J Nat Prod 74: 1126-31 (2011) University of North Carolina at Greensboro 2D 3D TSV
21511945 7 Cannabinoid type 1 receptor antagonists modulate transport activity of multidrug resistance-associated proteins MRP1, MRP2, MRP3, and MRP4.EBI Drug Metab Dispos 39: 1294-302 (2011) Radboud University Nijmegen Medical Centre 2D 3D TSV
21511472 13 Inhibition and structural reliability of prenylated flavones from the stem bark of Morus lhou on β-secretase (BACE-1).EBI Bioorg Med Chem Lett 21: 2945-8 (2011) Gyeongsang National University 2D 3D TSV
21511471 83 Pharmacophore elucidation for a new series of 2-aryl-pyrazolo-triazolo-pyrimidines as potent human A3 adenosine receptor antagonists.EBI Bioorg Med Chem Lett 21: 2898-905 (2011) National University of Singapore 2D 3D TSV
21510637 9 Azaphilones and p-terphenyls from the mangrove endophytic fungus Penicillium chermesinum (ZH4-E2) isolated from the South China Sea.EBI J Nat Prod 74: 997-1002 (2011) Sun Yat-sen University 2D 3D TSV
21510635 6 Estrogenic activity of chemical constituents from Tephrosia candida.EBI J Nat Prod 74: 937-42 (2011) National Research Centre 2D 3D TSV
21510613 3 Xylarenones C-E from an endophytic fungus isolated from Alibertia macrophylla.EBI J Nat Prod 74: 1353-7 (2011) Universidade Estadual Paulista 2D 3D TSV
21507642 47 Synthesis and SAR of pyrimidine-based, non-nucleotide P2Y14 receptor antagonists.EBI Bioorg Med Chem Lett 21: 2832-5 (2011) Merck Frosst Center for Therapeutic Research 2D 3D TSV
21507640 21 The identification of 4,7-disubstituted naphthoic acid derivatives as UDP-competitive antagonists of P2Y14.EBI Bioorg Med Chem Lett 21: 2836-9 (2011) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
21507637 102 MMP-13 selectivea-sulfone hydroxamates: a survey of P1' heterocyclic amide isosteres.EBI Bioorg Med Chem Lett 21: 2820-2 (2011) Pfizer Inc. 2D 3D TSV
21507636 140 A novel series of piperazinyl-pyridine ureas as antagonists of the purinergic P2Y12 receptor.EBI Bioorg Med Chem Lett 21: 2877-81 (2011) AstraZeneca R&D 2D 3D TSV
21507633 77 The discovery of novel benzofuran-2-carboxylic acids as potent Pim-1 inhibitors.EBI Bioorg Med Chem Lett 21: 3050-6 (2011) Genzyme Corp. 2D 3D TSV
21506597 6 Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets.EBI J Med Chem 54: 3973-6 (2011) The University of Tennessee 2D 3D TSV
21506569 96 Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.EBI J Med Chem 54: 3977-81 (2011) The Hebrew University of Jerusalem 2D 3D TSV
21506278 23 Discovery of orally active, potent, and selective benzotriazole-based PTP1B inhibitors.BDB ChemMedChem 6: 1011-6 (2011) Zydus Research Centre 2D 3D TSV
21504895 2 Crystal structure of the Ca2+/calmodulin-dependent protein kinase kinase in complex with the inhibitor STO-609.BDB J Biol Chem 286: 22570-9 (2011) RIKEN Systems and Structural Biology Center 2D 3D TSV
21504850 18 Synthesis and biological evaluation of novel quinazoline-derived human Pin1 inhibitors.EBI Bioorg Med Chem 19: 2797-807 (2011) Chinese Academy of Medical Sciences& Peking Union Medical College 2D 3D TSV
21504847 12 Synthesis of cinnamoyl ketoamides as hybrid structures of antioxidants and calpain inhibitors.EBI Bioorg Med Chem Lett 21: 2850-4 (2011) College of Pharmacy Kyung Hee University 2D 3D TSV
21504156 96 Carnitine palmitoyltransferase (CPT) modulators: a medicinal chemistry perspective on 35 years of research.EBI J Med Chem 54: 3109-52 (2011) F. Hoffmann-La Roche Ltd. 2D 3D TSV
21503265 19 Inhibition of the Hematopoietic Protein Tyrosine Phosphatase by Phenoxyacetic Acids.EBI ACS Med Chem Lett 2: 113-118 (2011) Sanford-Burnham Medical Research Institute 2D 3D TSV
21500862 38 Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds.EBI J Med Chem 54: 4042-56 (2011) Instituto de Qui£?mica Medica-CSIC 2D 3D TSV
21500777 15 Gusanlungionosides A-D, potential tyrosinase inhibitors from Arcangelisia gusanlung.EBI J Nat Prod 74: 1009-14 (2011) Institute of Medicinal Plant Development 2D 3D TSV
21498080 45 N-Alkenyl and cycloalkyl carbamates as dual acting histamine H3 and H4 receptor ligands.EBI Bioorg Med Chem 19: 2850-8 (2011) Jagiellonian University Medical College 2D 3D TSV
21498079 45 Development and SAR of functionally selective allosteric modulators of GABAA receptors.EBI Bioorg Med Chem 19: 2927-38 (2011) AstraZeneca 2D 3D TSV
21497959 28 Synthesis and evaluation of heterobivalent tacrine derivatives as potential multi-functional anti-Alzheimer agents.EBI Eur J Med Chem 46: 2609-16 (2011) Sun Yat-sen University 2D 3D TSV
21497958 12 Potential virtual lead identification in the discovery of renin inhibitors: application of ligand and structure-based pharmacophore modeling approaches.EBI Eur J Med Chem 46: 2469-76 (2011) Gyeongsang National University (GNU) 2D 3D TSV
21497425 13 Lead optimization of 4-imidazolylflavans: new promising aromatase inhibitors.EBI Eur J Med Chem 46: 2541-5 (2011) UPRES EA 4021 Biomol�cules et Th�rapies anti-tumorales 2D 3D TSV
21495716 59 Development of amidine-based sphingosine kinase 1 nanomolar inhibitors and reduction of sphingosine 1-phosphate in human leukemia cells.EBI J Med Chem 54: 3524-48 (2011) University of Virginia 2D 3D TSV
21495689 134 N-(3-fluoro-4-(4-(2-methoxy or 2,3-dichlorophenyl)piperazine-1-yl)butyl)arylcarboxamides as selective dopamine D3 receptor ligands: critical role of the carboxamide linker for D3 receptor selectivity.EBI J Med Chem 54: 3581-94 (2011) National Institute on Drug Abuse-Intramural Research Program 2D 3D TSV
21495671 95 Potent, selective, and orally bioavailable inhibitors of mammalian target of rapamycin (mTOR) kinase based on a quaternary substituted dihydrofuropyrimidine.EBI J Med Chem 54: 3426-35 (2011) Genentech 2D 3D TSV
21493077 39 Red-fluorescent argininamide-type NPY Y1 receptor antagonists as pharmacological tools.EBI Bioorg Med Chem 19: 2859-78 (2011) Universit£t Regensburg 2D 3D TSV
21493073 1 Structural requirements of flavonoids for the adipogenesis of 3T3-L1 cells.EBI Bioorg Med Chem 19: 2835-41 (2011) Kyoto Pharmaceutical University 2D 3D TSV
21493067 22 In vitro and in vivo evaluation of 6-aminopyrazolyl-pyridine-3-carbonitriles as JAK2 kinase inhibitors.EBI Bioorg Med Chem Lett 21: 2958-61 (2011) AstraZeneca R&D Boston 2D 3D TSV
21493065 5 Synthesis and evaluation of dual site inhibitors of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase.EBI Bioorg Med Chem Lett 21: 5092-7 (2011) University of Canterbury 2D 3D TSV
21493064 69 Discovery of pyrimidine carboxamides as potent and selective CCK1 receptor agonists.EBI Bioorg Med Chem Lett 21: 2911-5 (2011) Merck& Co. Inc. 2D 3D TSV
21493063 67 MMP-13 selective alpha-sulfone hydroxamates: identification of selective P1' amides.EBI Bioorg Med Chem Lett 21: 2823-5 (2011) Pfizer Inc. 2D 3D TSV
21489803 24 Inhibitor selectivity of a new class of oseltamivir analogs against viral neuraminidase over human neuraminidase enzymes.EBI Bioorg Med Chem 19: 2817-22 (2011) University of Alberta 2D 3D TSV
21489793 16 New monoterpene glycosides and phenolic compounds from Distylium racemosum and their inhibitory activity against ribonuclease H.EBI Bioorg Med Chem Lett 21: 2840-4 (2011) Chungnam National University 2D 3D TSV
21489792 26 Discovery of piperidinyl aminopyrimidine derivatives as IKK-2 inhibitors.EBI Bioorg Med Chem Lett 21: 3002-6 (2011) Korea Institute of Science and Technology 2D 3D TSV
21489790 10 Aromatic phosphonates inhibit the lysophospholipase D activity of autotaxin.EBI Bioorg Med Chem Lett 21: 5098-101 (2011) The University of Utah 2D 3D TSV
21488662 18 SHAFTS: a hybrid approach for 3D molecular similarity calculation. 2. Prospective case study in the discovery of diverse p90 ribosomal S6 protein kinase 2 inhibitors to suppress cell migration.EBI J Med Chem 54: 3564-74 (2011) East China University of Science and Technology 2D 3D TSV
21486698 15 Design and synthesis of N-phenylacetyl (sulfonyl) 4,5-dihydropyrazole derivatives as potential antitumor agents.EBI Bioorg Med Chem Lett 21: 2916-20 (2011) Nanjing University 2D 3D TSV
21486697 17 Cyclic lactam hybrida-MSH/Agouti-related protein (AGRP) analogues with nanomolar range binding affinities at the human melanocortin receptors.EBI Bioorg Med Chem Lett 21: 3099-102 (2011) University of Arizona 2D 3D TSV
21486695 11 Discovery of small molecule human FPR1 receptor antagonists.EBI Bioorg Med Chem Lett 21: 2991-7 (2011) AstraZeneca 2D 3D TSV
21486047 17 Potent and selective phosphopeptide mimetic prodrugs targeted to the Src homology 2 (SH2) domain of signal transducer and activator of transcription 3.EBI J Med Chem 54: 3549-63 (2011) University of Texas M. D. Anderson Cancer Center 2D 3D TSV
21486038 177 Discovery of 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine (Lu AA21004): a novel multimodal compound for the treatment of major depressive disorder.EBI J Med Chem 54: 3206-21 (2011) H. Lundbeck A/S 2D 3D TSV
21482471 28 Comparative CYP1A1 and CYP1B1 substrate and inhibitor profile of dietary flavonoids.EBI Bioorg Med Chem 19: 2842-9 (2011) University of Crete 2D 3D TSV
21482470 71 Synthesis and binding affinity of novel mono- and bivalent morphinan ligands for κ, μ, and δ opioid receptors.EBI Bioorg Med Chem 19: 2808-16 (2011) Harvard Medical School 2D 3D TSV
21482467 28 Heteroalicyclic carboxamidines as inhibitors of inducible nitric oxide synthase; the identification of (2R)-2-pyrrolidinecarboxamidine as a potent and selective haem-co-ordinating inhibitor.EBI Bioorg Med Chem Lett 21: 3037-40 (2011) GlaxoSmithKline R&D 2D 3D TSV
21482446 55 Discovery of new nanomolar peroxisome proliferator-activated receptor κ activators via elaborate ligand-based modeling.EBI Eur J Med Chem 46: 2513-29 (2011) Universiti Sains Malaysia 2D 3D TSV
21481991 35 HIF-1a inhibitors: synthesis and biological evaluation of novel moracin O and P analogues.EBI Eur J Med Chem 46: 2386-96 (2011) Dongguk University-Seoul 2D 3D TSV
21481987 27 Synthesis of 7,9-diazabicyclo[4.2.2]decanes as conformationally restricted κ receptor agonists: fine tuning of the dihedral angle of the ethylenediamine pharmacophore.EBI Eur J Med Chem 46: 1972-82 (2011) Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster 2D 3D TSV
21481592 6 Synthesis and biological evaluation of novel 4-benzylpiperazine ligands for sigma-1 receptor imaging.EBI Bioorg Med Chem 19: 2911-7 (2011) Key Laboratory of Radiopharmaceuticals (Beijing Normal University) 2D 3D TSV
21481589 14 New aromatic substituted pyrazoles as selective inhibitors of human adipocyte fatty acid-binding protein.EBI Bioorg Med Chem Lett 21: 2949-52 (2011) Chinese Academy of Sciences 2D 3D TSV
21481497 12 Selective and potent agonists for estrogen receptor beta derived from molecular refinements of salicylaldoximes.EBI Eur J Med Chem 46: 2453-62 (2011) Universit£ di Pisa 2D 3D TSV
21478015 6 Non-competitive and selective dipeptidyl peptidase IV inhibitors with phenethylphenylphthalimide skeleton derived from thalidomide-relateda-glucosidase inhibitors and liver X receptor antagonists.EBI Bioorg Med Chem Lett 21: 3041-5 (2011) The University of Tokyo 2D 3D TSV
21476600 43 Development of tetrahydroisoquinoline-based hydroxamic acid derivatives: potent histone deacetylase inhibitors with marked in vitro and in vivo antitumor activities.EBI J Med Chem 54: 2823-38 (2011) Shandong University 2D 3D TSV
21476495 31 Potent macrocyclic inhibitors of insulin-regulated aminopeptidase (IRAP) by olefin ring-closing metathesis.EBI J Med Chem 54: 3779-92 (2011) Uppsala University 2D 3D TSV
21476493 11 Novel potent and selectives ligands: evaluation of their agonist and antagonist properties.EBI J Med Chem 54: 3669-73 (2011) University of Catania 2D 3D TSV
21473625 42 1,6-Dihydro-2H-indeno[5,4-b]furan derivatives: design, synthesis, and pharmacological characterization of a novel class of highly potent MT2-selective agonists.EBI J Med Chem 54: 3436-44 (2011) Takeda Pharmaceutical Company Limited 2D 3D TSV
21470866 21 Synthesis and structure-activity relationship of tricyclic carboxylic acids as novel anti-histamines.EBI Bioorg Med Chem 19: 3005-21 (2011) Dainippon Sumitomo Pharma. Co., Ltd 2D 3D TSV
21470862 110 NMS-P937, a 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivative as potent and selective Polo-like kinase 1 inhibitor.EBI Bioorg Med Chem Lett 21: 2969-74 (2011) Nerviano Medical Sciences srl 2D 3D TSV
21470860 9 Virtual screening identification of novel severe acute respiratory syndrome 3C-like protease inhibitors and in vitro confirmation.EBI Bioorg Med Chem Lett 21: 3088-91 (2011) Chonnam National University 2D 3D TSV
21470859 52 Sulfonamides incorporating boroxazolidone moieties are potent inhibitors of the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII.EBI Bioorg Med Chem Lett 21: 2975-9 (2011) Ecole Nationale Sup£rieure de Chimie de Montpellier 2D 3D TSV
21470858 4 Radiosynthesis and preliminary evaluation of 4-[18F]fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as a new positron emission tomography ligand for metabotropic glutamate receptor subtype 1.EBI Bioorg Med Chem Lett 21: 2998-3001 (2011) National Institute of Radiological Sciences 2D 3D TSV
21469694 4 Novel benzo[b]thiophene derivatives as new potential antidepressants with rapid onset of action.EBI J Med Chem 54: 3086-90 (2011) University of Navarra 2D 3D TSV
21466221 3 Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68).EBI J Med Chem 54: 2738-44 (2011) University of Ferrara 2D 3D TSV
21466220 11 Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus.EBI J Med Chem 54: 2646-57 (2011) Universitat de Barcelona 2D 3D TSV
21466167 47 Pharmacophore modeling and virtual screening for novel acidic inhibitors of microsomal prostaglandin E2 synthase-1 (mPGES-1).EBI J Med Chem 54: 3163-74 (2011) University of Innsbruck 2D 3D TSV
21462933 155 Potent bivalent Smac mimetics: effect of the linker on binding to inhibitor of apoptosis proteins (IAPs) and anticancer activity.EBI J Med Chem 54: 3306-18 (2011) University of Michigan 2D 3D TSV
21459580 8 Extending SAR of bile acids as FXR ligands: discovery of 23-N-(carbocinnamyloxy)-3a,7a-dihydroxy-6a-ethyl-24-nor-5β-cholan-23-amine.EBI Bioorg Med Chem 19: 2650-8 (2011) Universit£ degli Studi di Perugia 2D 3D TSV
21459579 22 Synthesis and pharmacological evaluation of thieno[2,3-b]pyridine derivatives as novel c-Src inhibitors.EBI Bioorg Med Chem 19: 2517-28 (2011) Institut de Recherches Servier 2D 3D TSV
21459576 11 Synthesis, modelling and kinetic assays of potent inhibitors of purple acid phosphatase.EBI Bioorg Med Chem Lett 21: 3092-4 (2011) The University of Queensland 2D 3D TSV
21459572 60 1,5-Substituted nipecotic amides: selective PDE8 inhibitors displaying diastereomer-dependent microsomal stability.EBI Bioorg Med Chem Lett 21: 3095-8 (2011) Pfizer Inc. 2D 3D TSV
21459491 96 Quinolizidinyl derivatives of bi- and tricyclic systems as potent inhibitors of acetyl- and butyrylcholinesterase with potential in Alzheimer's disease.EBI Eur J Med Chem 46: 2170-84 (2011) Universit£ degli Studi di Genova 2D 3D TSV
21458276 82 Design, synthesis, and structure-activity relationship studies of thiophene-3-carboxamide derivatives as dual inhibitors of the c-Jun N-terminal kinase.EBI Bioorg Med Chem 19: 2582-8 (2011) Sanford-Burnham Medical Research Institute 2D 3D TSV
21458261 55 The discovery of novel 8-azabicyclo[3.2.1]octan-3-yl)-3-(4-chlorophenyl) propanamides as vasopressin V1A receptor antagonists.EBI Bioorg Med Chem Lett 21: 3163-7 (2011) MSD 2D 3D TSV
21458260 71 Triamino pyrimidines and pyridines as histamine H(4) receptor modulators.EBI Bioorg Med Chem Lett 21: 3113-6 (2011) Johnson& Johnson Pharmaceutical Research& Development 2D 3D TSV
21458259 29 Synthesis and evaluation of novel N-fluoropyridyl derivatives of tropane as potential PET imaging agents for the dopamine transporter.EBI Bioorg Med Chem Lett 21: 2962-5 (2011) Key Laboratory of Radiopharmaceuticals (Beijing Normal University) 2D 3D TSV
21458257 87 2-(2-Aminothiazol-4-yl)pyrrolidine-based tartrate diamides as potent, selective and orally bioavailable TACE inhibitors.EBI Bioorg Med Chem Lett 21: 3172-6 (2011) Merck Research Laboratories 2D 3D TSV
21456625 41 Elucidation of a structural basis for the inhibitor-driven, p62 (SQSTM1)-dependent intracellular redistribution of cAMP phosphodiesterase-4A4 (PDE4A4).EBI J Med Chem 54: 3331-47 (2011) University of Glasgow 2D 3D TSV
21456601 26 Highly improved metabolic stability and pharmacokinetics of indium-111-DOTA-gastrin conjugates for targeting of the gastrin receptor.EBI J Med Chem 54: 2602-9 (2011) University Medical Centre Ljubljana 2D 3D TSV
21454582 12 Structural analysis of the mechanism of inhibition and allosteric activation of the kinase domain of HER2 protein.BDB J Biol Chem 286: 18756-65 (2011) Takeda 2D 3D TSV
21454075 24 Biological evaluation of 3'-O-alkylated analogs of salacinol, the role of hydrophobic alkyl group at 3' position in the side chain on thea-glucosidase inhibitory activity.EBI Bioorg Med Chem Lett 21: 3159-62 (2011) Kinki University 2D 3D TSV
21453996 20 Antidiabetic activity of some pentacyclic acid triterpenoids, role of PTP-1B: in vitro, in silico, and in vivo approaches.EBI Eur J Med Chem 46: 2243-51 (2011) Universidad Aut£noma del Estado de Morelos 2D 3D TSV
21452857 6 On a possible neutral charge state for the catalytic dyad inß-secretase when bound to hydroxyethylene transition state analogue inhibitors.EBI J Med Chem 54: 3081-5 (2011) Universidad de Santiago de Compostela 2D 3D TSV
21450468 22 Revisiting glitazars: thiophene substituted oxazole containinga-ethoxy phenylpropanoic acid derivatives as highly potent PPARa/¿ dual agonists devoid of adverse effects in rodents.EBI Bioorg Med Chem Lett 21: 3103-9 (2011) Zydus Research Centre 2D 3D TSV
21450467 261 Potent and selective small molecule inhibitors of specific isoforms of Cdc2-like kinases (Clk) and dual specificity tyrosine-phosphorylation-regulated kinases (Dyrk).EBI Bioorg Med Chem Lett 21: 3152-8 (2011) National Human Genome Research Institute 2D 3D TSV
21449619 86 Chiral sulfoxides as metabolites of 2-thioimidazole-based p38a mitogen-activated protein kinase inhibitors: enantioselective synthesis and biological evaluation.EBI J Med Chem 54: 3283-97 (2011) Eberhard-Karls-University Tu£bingen 2D 3D TSV
21449606 15 Discovery of a clinical candidate from the structurally unique dioxa-bicyclo[3.2.1]octane class of sodium-dependent glucose cotransporter 2 inhibitors.EBI J Med Chem 54: 2952-60 (2011) Pfizer Inc. 2D 3D TSV
21449597 26 Developing potent human uric acid transporter 1 (hURAT1) inhibitors.EBI J Med Chem 54: 2701-13 (2011) University of Colorado Anschutz Medical Campus 2D 3D TSV
21449566 8 Identification of 3H-naphtho[1,2,3-de]quinoline-2,7-diones as inhibitors of apoptosis signal-regulating kinase 1 (ASK1).EBI J Med Chem 54: 2680-6 (2011) NAS of Ukraine 2D 3D TSV
21447734 2 Mechanism-based inactivation of cytochrome P450 3A4 by mibefradil through heme destruction.EBI Drug Metab Dispos 39: 1188-95 (2011) Amgen, Inc. 2D 3D TSV
21446715 43 Further structure-activity relationship studies on 4-((((3S,6S)-6-benzhydryltetrahydro-2H-pyran-3-yl)amino)methyl)phenol: identification of compounds with triple uptake inhibitory activity as potential antidepressant agents.EBI J Med Chem 54: 2924-32 (2011) Wayne State University 2D 3D TSV
21446649 78 Discovery of highly potent and neurotensin receptor 2 selective neurotensin mimetics.EBI J Med Chem 54: 2915-23 (2011) Friedrich Alexander University 2D 3D TSV
21444206 53 Discovery of fused bicyclic agonists of the orphan G-protein coupled receptor GPR119 with in vivo activity in rodent models of glucose control.EBI Bioorg Med Chem Lett 21: 3134-41 (2011) Arena Pharmaceuticals 2D 3D TSV
21444132 20 Synthesis of 4-(aminoalkyl) substituted 1,3-dioxanes as potent NMDA ands receptor antagonists.EBI Eur J Med Chem 46: 2157-69 (2011) Westf£lischen Wilhelms-Universit£t M£nster 2D 3D TSV
21443232 24 A potent and orally active antagonist (SM-406/AT-406) of multiple inhibitor of apoptosis proteins (IAPs) in clinical development for cancer treatment.EBI J Med Chem 54: 2714-26 (2011) University of Michigan 2D 3D TSV
21443219 4 Selenophene-containing inhibitors of type IIA bacterial topoisomerases.EBI J Med Chem 54: 3418-25 (2011) Achillion Pharmaceuticals, Inc. 2D 3D TSV
21443205 33 Design, synthesis, biological activity, and ADME properties of pyrazolo[3,4-d]pyrimidines active in hypoxic human leukemia cells: a lead optimization study.EBI J Med Chem 54: 2610-26 (2011) University of Siena 2D 3D TSV
21443196 38 Local structural changes, global data views: graphical substructure-activity relationship trailing.EBI J Med Chem 54: 2944-51 (2011) Rheinische Friedrich-Wilhelms-Universita£t 2D 3D TSV
21443195 9 Utilization of nitrophenylphosphates and oxime-based ligation for the development of nanomolar affinity inhibitors of the Yersinia pestis outer protein H (YopH) phosphatase.EBI J Med Chem 54: 2933-43 (2011) NCI-Frederick 2D 3D TSV
21441028 18 Synthesis and evaluation of arylquinones as BACE1 inhibitors,β-amyloid peptide aggregation inhibitors, and destabilizers of preformed β-amyloid fibrils.EBI Bioorg Med Chem Lett 21: 2183-7 (2011) Universidad Complutense 2D 3D TSV
21441027 96 Inhibitors of the tyrosine kinase EphB4. Part 4: Discovery and optimization of a benzylic alcohol series.EBI Bioorg Med Chem Lett 21: 2207-11 (2011) Centre de Recherches 2D 3D TSV
21441025 147 Synthesis and evaluation of isatin analogs as caspase-3 inhibitors: introduction of a hydrophilic group increases potency in a whole cell assay.EBI Bioorg Med Chem Lett 21: 2192-7 (2011) Washington University School of Medicine 2D 3D TSV
21441024 74 Discovery of the first non-ATP competitive IGF-1R kinase inhibitors: advantages in comparison with competitive inhibitors.EBI Bioorg Med Chem Lett 21: 2224-8 (2011) Sanofi-aventis 2D 3D TSV
21440447 15 Acyl derivatives of p-aminosulfonamides and dapsone as new inhibitors of the arginine methyltransferase hPRMT1.EBI Bioorg Med Chem 19: 3717-31 (2011) Albert-Ludwigs-University of Freiburg 2D 3D TSV
21440338 36 Synthesis of 1-naphtylpiperazine derivatives as serotoninergic ligands and their evaluation as antiproliferative agents.EBI Eur J Med Chem 46: 2206-16 (2011) Universit£ di Napoli Federico II 2D 3D TSV
21439822 20 Inhibition of the M. tuberculosis 3β-hydroxysteroid dehydrogenase by azasteroids.EBI Bioorg Med Chem Lett 21: 2216-9 (2011) Stony Brook University 2D 3D TSV
21439820 43 Discovery of a piperazine urea based compound as a potent, selective, orally bioavailable melanocortin subtype-4 receptor partial agonist.EBI Bioorg Med Chem Lett 21: 2330-4 (2011) Merck Research Laboratories 2D 3D TSV
21439819 49 Pyrrolidine-pyrazole ureas as potent and selective inhibitors of 11β-hydroxysteroid-dehydrogenase type 1.EBI Bioorg Med Chem Lett 21: 2244-51 (2011) Sanofi-aventis R&D, 2D 3D TSV
21439694 161 Identification of pentacyclic triterpenes derivatives as potent inhibitors against glycogen phosphorylase based on 3D-QSAR studies.EBI Eur J Med Chem 46: 2011-21 (2011) Chinese Academy of Sciences 2D 3D TSV
21439692 8 Aspartic vinyl sulfones: inhibitors of a caspase-3-dependent pathway.EBI Eur J Med Chem 46: 2141-6 (2011) University of Lisbon 2D 3D TSV
21439476 12 Jak1 has a dominant role over Jak3 in signal transduction through ╬│c-containing cytokine receptors.BDB Chem Biol 18: 314-23 (2011) University of Luxembourg 2D 3D TSV
21438710 18 Oxamic acid analogues as LDH-C4-specific competitive inhibitors.BDB J Enzyme Inhib Med Chem 26: 579-86 (2011) Instituto PolitÚcnico Nacional 2D 3D TSV
21438612 4 Amidine-oximes: reactivators for organophosphate exposure.EBI J Med Chem 54: 3319-30 (2011) Human BioMolecular Research Institute 2D 3D TSV
21438579 4 Isolation and structure of homotemsirolimuses A, B, and C.EBI J Nat Prod 74: 547-53 (2011) Wyeth Research 2D 3D TSV
21438571 28 Identification of inhibitors that block vaccinia virus infection by targeting the DNA synthesis processivity factor D4.EBI J Med Chem 54: 3260-7 (2011) University of Pennsylvania 2D 3D TSV
21438541 45 Optimization of potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitors of heat shock protein 90. Identification of development candidate 2-amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrEBI J Med Chem 54: 3368-85 (2011) Pfizer Inc. 2D 3D TSV
21438532 13 Synthesis and evaluation of radioligands for imaging brain nociceptin/orphanin FQ peptide (NOP) receptors with positron emission tomography.EBI J Med Chem 54: 2687-700 (2011) National Institute of Mental Health 2D 3D TSV
21438527 16 Identification, characterization, and implications of species-dependent plasma protein binding for the oral Hedgehog pathway inhibitor vismodegib (GDC-0449).EBI J Med Chem 54: 2592-601 (2011) Genentech Inc. 2D 3D TSV
21435890 38 Synthesis and biological evaluation of 1-substituted-3(5)-(6-methylpyridin-2-yl)-4-(quinolin-6-yl)pyrazoles as transforming growth factor-β type 1 receptor kinase inhibitors.EBI Bioorg Med Chem 19: 2633-40 (2011) Ewha Womans University 2D 3D TSV
21435888 7 The synthesis and evaluation of indolylureas as PKCa inhibitors.EBI Bioorg Med Chem 19: 2742-50 (2011) Procter& Gamble Pharmaceuticals Inc. 2D 3D TSV
21435873 23 Identification of potent, soluble, and orally active TRPV1 antagonists.EBI Bioorg Med Chem Lett 21: 2559-63 (2011) MSD 2D 3D TSV
21435872 5 Aza-annulation on the 16-dehydropregnenolone, via tandem intermolecular aldol process and intramolecular Michael addition.EBI Bioorg Med Chem Lett 21: 2232-7 (2011) Central Drug Research Institute 2D 3D TSV
21435752 76 New potent human acetylcholinesterase inhibitors in the tetracyclic triterpene series with inhibitory potency on amyloid β aggregation.EBI Eur J Med Chem 46: 2193-205 (2011) CNRS 2D 3D TSV
21434686 48 Synthesis and structure-activity relationship studies of urea-containing pyrazoles as dual inhibitors of cyclooxygenase-2 and soluble epoxide hydrolase.EBI J Med Chem 54: 3037-50 (2011) University of California 2D 3D TSV
21429754 75 17,20-Lyase inhibitors. Part 3: Design, synthesis, and structure-activity relationships of biphenylylmethylimidazole derivatives as novel 17,20-lyase inhibitors.EBI Bioorg Med Chem 19: 2428-42 (2011) Takeda Pharmaceutical Company, Ltd 2D 3D TSV
21429753 4 Synthesis and anti-melanogenic activity of hydroxyphenyl benzyl ether analogues.EBI Bioorg Med Chem 19: 2168-75 (2011) Catholic University of Daegu 2D 3D TSV
21429752 72 Design, synthesis and structure-activity relationship (SAR) studies of 2,4-disubstituted pyrimidine derivatives: dual activity as cholinesterase and A β-aggregation inhibitors.EBI Bioorg Med Chem 19: 2269-81 (2011) University of Waterloo 2D 3D TSV
21429746 88 The discovery and synthesis of potent zwitterionic inhibitors of renin.EBI Bioorg Med Chem Lett 21: 2430-6 (2011) Merck Frosst Centre for Therapeutic Research 2D 3D TSV
21429745 49 3,5-Disubstituted-indole-7-carboxamides: the discovery of a novel series of potent, selective inhibitors of IKK-ß.EBI Bioorg Med Chem Lett 21: 2255-8 (2011) GlaxoSmithKline R&D 2D 3D TSV
21429632 43 Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives.EBI Eur J Med Chem 46: 2043-57 (2011) University of the Pacific 2D 3D TSV
21428449 27 Small molecule inhibitors of retinoic acid 4-hydroxylase (CYP26): synthesis and biological evaluation of imidazole methyl 3-(4-(aryl-2-ylamino)phenyl)propanoates.EBI J Med Chem 54: 2778-91 (2011) Cardiff University 2D 3D TSV
21428410 78 Reversible competitivea-ketoheterocycle inhibitors of fatty acid amide hydrolase containing additional conformational constraints in the acyl side chain: orally active, long-acting analgesics.EBI J Med Chem 54: 2805-22 (2011) The Scripps Research Institute 2D 3D TSV
21428406 70 N-(4-cyanotetrahydro-2H-pyran-4-yl) and N-(1-cyanocyclohexyl) derivatives of 1,5-diarylpyrazole-3-carboxamides showing high affinity for 18 kDa translocator protein and/or cannabinoid receptors.EBI J Med Chem 54: 2961-70 (2011) National Institute of Mental Health 2D 3D TSV
21428375 16 Cytotoxic and NF-κB inhibitory constituents of the stems of Cratoxylum cochinchinense and their semisynthetic analogues.EBI J Nat Prod 74: 1117-25 (2011) The Ohio State University 2D 3D TSV
21428295 43 Design, synthesis, and pharmacological characterization of fluorescent peptides for imaging human V1b vasopressin or oxytocin receptors.EBI J Med Chem 54: 2864-77 (2011) INSERM 2D 3D TSV
21422192 2 Substituted imidazole of 5-fluoro-2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]-1-piperazinyl]pyrimidine Inactivates cytochrome P450 2D6 by protein adduction.EBI Drug Metab Dispos 39: 974-83 (2011) Kalamazoo College 2D 3D TSV
21422191 4 Pharmacokinetics and hepatic uptake of eltrombopag, a novel platelet-increasing agent.EBI Drug Metab Dispos 39: 1088-96 (2011) Kanazawa University 2D 3D TSV
21421318 25 Non-peptide NK1 receptor ligands based on the 4-phenylpyridine moiety.EBI Bioorg Med Chem 19: 2242-51 (2011) Universit£ degli Studi di Siena 2D 3D TSV
21421315 6 Synthesis and evaluation of library of betulin derivatives against the botulinum neurotoxin A protease.EBI Bioorg Med Chem Lett 21: 2229-31 (2011) The Scripps Research Institute 2D 3D TSV
21421311 135 Bicyclo[2.2.2]octyltriazole inhibitors of 11β-hydoxysteroid dehydrogenase type 1. Pharmacological agents for the treatment of metabolic syndrome.EBI Bioorg Med Chem Lett 21: 2568-72 (2011) Merck Research Laboratories 2D 3D TSV
21421310 1 Synthesis and evaluation of thiophenyl derivatives as inhibitors of alkaline phosphatase.EBI Bioorg Med Chem Lett 21: 2297-301 (2011) Universit£ Claude Bernard-Lyon 1 2D 3D TSV
21420869 8 5'-Modified pyrimidine nucleosides as inhibitors of ribonuclease A.EBI Bioorg Med Chem 19: 2478-84 (2011) Indian Institute of Technology 2D 3D TSV
21420867 68 Using small molecules to target protein phosphatases.EBI Bioorg Med Chem 19: 2145-55 (2011) Max-Planck-Institute of Molecular Physiology 2D 3D TSV
21420866 29 Role of the side chain stereochemistry in thea-glucosidase inhibitory activity of kotalanol, a potent naturala-glucosidase inhibitor.EBI Bioorg Med Chem 19: 2252-62 (2011) Kinki University 2D 3D TSV
21420863 32 Synthesis and SAR investigations of novel 2-arylbenzimidazole derivatives as melanin-concentrating hormone receptor 1 (MCH-R1) antagonists.EBI Bioorg Med Chem Lett 21: 2309-12 (2011) Korea Research Institute of Chemical Technology 2D 3D TSV
21420862 4 Virtual screening-driven identification of human carbonic anhydrase inhibitors incorporating an original, new pharmacophore.EBI Bioorg Med Chem Lett 21: 2515-20 (2011) Universit£ di Sassari 2D 3D TSV
21420861 50 Design and synthesis of 1-(2-alkanamidoethyl)-6-methoxy-7-azaindole derivatives as potent melatonin agonists.EBI Bioorg Med Chem Lett 21: 2316-9 (2011) Universit£ d'Orl£ans 2D 3D TSV
21420860 34 Imidazopyridine CB2 agonists: optimization of CB2/CB1 selectivity and implications for in vivo analgesic efficacy.EBI Bioorg Med Chem Lett 21: 2354-8 (2011) Merck Research Laboratories 2D 3D TSV
21420857 115 Decahydroquinoline amides as highly selective CB2 agonists: role of selectivity on in vivo efficacy in a rodent model of analgesia.EBI Bioorg Med Chem Lett 21: 2359-64 (2011) Merck Research Laboratories 2D 3D TSV
21420856 37 Discovery of spirocyclic sulfonamides as potent Akt inhibitors with exquisite selectivity against PKA.EBI Bioorg Med Chem Lett 21: 2335-40 (2011) Array BioPharma Inc. 2D 3D TSV
21420760 8 Peptidomimetics containing a vinyl ketone warhead as falcipain-2 inhibitors.EBI Eur J Med Chem 46: 2058-65 (2011) University of Messina 2D 3D TSV
21420298 34 Design and synthesis of isoquinolines and benzimidazoles as RAF kinase inhibitors.EBI Bioorg Med Chem Lett 21: 2264-9 (2011) Merck Serono 2D 3D TSV
21420297 19 Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.EBI Bioorg Med Chem Lett 21: 2278-82 (2011) Pfizer Inc. 2D 3D TSV
21420206 38 N-acylaminophenothiazines: neuroprotective agents displaying multifunctional activities for a potential treatment of Alzheimer's disease.EBI Eur J Med Chem 46: 2224-35 (2011) Instituto de Qu£mica M£dica 2D 3D TSV
21420204 129 Studying synergism of methyl linked cyclohexyl thiophenes with triazole: synthesis and their cdk5/p25 inhibition activity.EBI Eur J Med Chem 46: 2066-74 (2011) Dr. Reddy's Laboratories, Ameerpet, Hyderabad, India. 2D 3D TSV
21419634 23 Synthesis and biological evaluation of new 2-alkylaminoethyl-1,1-bisphosphonic acids against Trypanosoma cruzi and Toxoplasma gondii targeting farnesyl diphosphate synthase.EBI Bioorg Med Chem 19: 2211-7 (2011) Universidad de Buenos Aires 2D 3D TSV
21419626 24 Design and optimisation of orally active TLR7 agonists for the treatment of hepatitis C virus infection.EBI Bioorg Med Chem Lett 21: 2389-93 (2011) Pfizer Inc. 2D 3D TSV
21419531 3 Discovery and preliminary SARs of keto-indoles as novel indoleamine 2,3-dioxygenase (IDO) inhibitors.EBI Eur J Med Chem 46: 3058-65 (2011) University of Namur 2D 3D TSV
21417464 9 Novel interactions of fluorinated nucleotide derivatives targeting orotidine 5'-monophosphate decarboxylase.EBI J Med Chem 54: 2891-901 (2011) University Health Network 2D 3D TSV
21417463 80 Structural modifications of UMP, UDP, and UTP leading to subtype-selective agonists for P2Y2, P2Y4, and P2Y6 receptors.EBI J Med Chem 54: 2878-90 (2011) University of Bonn 2D 3D TSV
21417419 5 Discovery, synthesis, and pharmacological evaluation of spiropiperidine hydroxamic acid based derivatives as structurally novel histone deacetylase (HDAC) inhibitors.EBI J Med Chem 54: 3051-64 (2011) DAC SRL 2D 3D TSV
21417417 8 Pyrazolo[4,3-d]pyrimidine bioisostere of roscovitine: evaluation of a novel selective inhibitor of cyclin-dependent kinases with antiproliferative activity.EBI J Med Chem 54: 2980-93 (2011) Palacky£? University and Institute of Experimental Botany ASCR 2D 3D TSV
21417348 48 5-Benzamidoisoquinolin-1-ones and 5-(κ-carboxyalkyl)isoquinolin-1-ones as isoform-selective inhibitors of poly(ADP-ribose) polymerase 2 (PARP-2).EBI J Med Chem 54: 2049-59 (2011) University of Bath 2D 3D TSV
21417343 2 Crystal structures of ABL-related gene (ABL2) in complex with imatinib, tozasertib (VX-680), and a type I inhibitor of the triazole carbothioamide class.EBI J Med Chem 54: 2359-67 (2011) Oxford University 2D 3D TSV
21417297 220 Oxime amides as a novel zinc binding group in histone deacetylase inhibitors: synthesis, biological activity, and computational evaluation.EBI J Med Chem 54: 2165-82 (2011) Universita` degli Studi di Siena 2D 3D TSV
21417280 16 Small-molecule ligands of methyl-lysine binding proteins.EBI J Med Chem 54: 2504-11 (2011) University of North Carolina at Chapel Hill 2D 3D TSV
21417236 8 Ethionamide boosters: synthesis, biological activity, and structure-activity relationships of a series of 1,2,4-oxadiazole EthR inhibitors.EBI J Med Chem 54: 2994-3010 (2011) Universit£ Lille Nord de France 2D 3D TSV
21417225 116 Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity.EBI J Med Chem 54: 2627-45 (2011) Universidad de Granada 2D 3D TSV
21417219 179 Discovery of (1S,2R,3R)-2,3-dimethyl-2-phenyl-1-sulfamidocyclopropanecarboxylates: novel and highly selective aggrecanase inhibitors.EBI J Med Chem 54: 2839-63 (2011) Central Pharmaceutical Research Institute 2D 3D TSV
21414782 178 Phenoxyacetic acids as PPARd partial agonists: synthesis, optimization, and in vivo efficacy.EBI Bioorg Med Chem Lett 21: 2345-50 (2011) GlaxoSmithKline Pharmaceuticals 2D 3D TSV
21414781 16 Discovery of pyrrolo[2,3-d]pyrimidin-4-ones as corticotropin-releasing factor 1 receptor antagonists with a carbonyl-based hydrogen bonding acceptor.EBI Bioorg Med Chem Lett 21: 2365-71 (2011) Takeda Pharmaceutical Company Ltd 2D 3D TSV
21414780 100 Novel pyrrolidine melanin-concentrating hormone receptor 1 antagonists with reduced hERG inhibition.EBI Bioorg Med Chem Lett 21: 2460-7 (2011) Amgen Inc. 2D 3D TSV
21414779 64 Discovery of 2,4-bis-arylamino-1,3-pyrimidines as insulin-like growth factor-1 receptor (IGF-1R) inhibitors.EBI Bioorg Med Chem Lett 21: 2394-9 (2011) Amgen Inc. 2D 3D TSV
21413808 170 Synopsis of some recent tactical application of bioisosteres in drug design.EBI J Med Chem 54: 2529-91 (2011) Bristol-Myers Squibb Pharmaceutical Research and Development 2D 3D TSV
21413804 21 Design of novel neurokinin 1 receptor antagonists based on conformationally constrained aromatic amino acids and discovery of a potent chimeric opioid agonist-neurokinin 1 receptor antagonist.EBI J Med Chem 54: 2467-76 (2011) Vrije Universiteit Brussel 2D 3D TSV
21413800 56 A one-pot synthesis and biological activity of ageladine A and analogues.EBI J Med Chem 54: 2492-503 (2011) Macquarie University 2D 3D TSV
21413799 63 Discovery of orally active carboxylic acid derivatives of 2-phenyl-5-trifluoromethyloxazole-4-carboxamide as potent diacylglycerol acyltransferase-1 inhibitors for the potential treatment of obesity and diabetes.EBI J Med Chem 54: 2433-46 (2011) Hoffmann-La Roche Inc. 2D 3D TSV
21413798 174 Discovery of potent and selective inhibitors of ataxia telangiectasia mutated and Rad3 related (ATR) protein kinase as potential anticancer agents.EBI J Med Chem 54: 2320-30 (2011) Vertex Pharmaceuticals (Europe) Ltd. 2D 3D TSV
21412406 25 Discovery of a benzo[e]pyrimido-[5,4-b][1,4]diazepin-6(11H)-one as a Potent and Selective Inhibitor of Big MAP Kinase 1.EBI ACS Med Chem Lett 2: 195-200 (2011) TBA 2D 3D TSV
21411327 19 β-Branched acyclic nucleoside analogues as inhibitors of Plasmodium falciparum dUTPase.EBI Bioorg Med Chem 19: 2378-91 (2011) University of Dundee 2D 3D TSV
21411323 24 Synthesis, biological assessment and molecular modeling of 14-aryl-10,11,12,14-tetrahydro-9H-benzo[5,6]chromeno[2,3-b]quinolin-13-amines.EBI Bioorg Med Chem Lett 21: 2384-8 (2011) Universit£ de Sfax 2D 3D TSV
21411322 8 Potential CRF1R PET imaging agents: N-fluoroalkyl-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethyl-N-alkylpyrazolo[1,5-a][1,3,5]triazin-4-amines.EBI Bioorg Med Chem Lett 21: 2484-8 (2011) Bristol-Myers Squibb Research and Development 2D 3D TSV
21411321 28 Design, synthesis and structure-activity relationships of (indo-3-yl) heterocyclic derivatives as agonists of the CB1 receptor. Discovery of a clinical candidate.EBI Bioorg Med Chem Lett 21: 2541-6 (2011) Merck Research Laboratories 2D 3D TSV
21411319 12 Evaluation of dihydropyrimidin-(2H)-one analogues and rhodanine derivatives as tyrosinase inhibitors.EBI Bioorg Med Chem Lett 21: 2376-9 (2011) Shaoyang University 2D 3D TSV
21410186 43 Symmetric double-headed aminopyridines, a novel strategy for potent and membrane-permeable inhibitors of neuronal nitric oxide synthase.EBI J Med Chem 54: 2039-48 (2011) Northwestern University 2D 3D TSV
21406034 34 The preparation, in vitro screening and molecular docking of symmetrical bisquaternary cholinesterase inhibitors containing a but-(2E)-en-1,4-diyl connecting linkage.BDB J Enzyme Inhib Med Chem 26: 245-53 (2011) University of Defence 2D 3D TSV
21406033 4 The evaluation of inhibitive effectiveness of the tumour necrosis factor-a converting enzyme selective inhibitors by HPLC.BDB J Enzyme Inhib Med Chem 26: 181-7 (2011) Huazhong University of Science and Technology 2D 3D TSV
21405131 39 Homoisoflavonoids: natural scaffolds with potent and selective monoamine oxidase-B inhibition properties.EBI J Med Chem 54: 2155-64 (2011) Universita` La Sapienza di Roma 2D 3D TSV
21405128 47 Synthesis and c-Met kinase inhibition of 3,5-disubstituted and 3,5,7-trisubstituted quinolines: identification of 3-(4-acetylpiperazin-1-yl)-5-(3-nitrobenzylamino)-7- (trifluoromethyl)quinoline as a novel anticancer agent.EBI J Med Chem 54: 2127-42 (2011) Chinese Academy of Sciences 2D 3D TSV
21405023 8 Novel hydrazine molecules as tools to understand the flexibility of vascular adhesion protein-1 ligand-binding site: toward more selective inhibitors.EBI J Med Chem 54: 2143-54 (2011) University of Jyva£skyla£ 2D 3D TSV
21402476 79 Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives.EBI Bioorg Med Chem Lett 21: 2521-6 (2011) Universit£ degli Studi di Firenze 2D 3D TSV
21401121 16 The identification of the 2-phenylphthalazin-1(2H)-one scaffold as a new decorable core skeleton for the design of potent and selective human A3 adenosine receptor antagonists.EBI J Med Chem 54: 2102-13 (2011) Universita` degli Studi di Firenze 2D 3D TSV
21401113 2 In vitro characterization of human peptide transporter hPEPT1 interactions and passive permeation studies of short cationic antimicrobial peptides.EBI J Med Chem 54: 2422-32 (2011) University of Troms£ 2D 3D TSV
21398125 29 Potent and selective adenosine A(2A) receptor antagonists: [1,2,4]-triazolo[4,3-c]pyrimidin-3-ones.EBI Bioorg Med Chem Lett 21: 2497-501 (2011) Merck Research Laboratories 2D 3D TSV
21398124 62 Discovery of non-glucoside SGLT2 inhibitors.EBI Bioorg Med Chem Lett 21: 2472-5 (2011) Amgen Inc. 2D 3D TSV
21398123 56 The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS).EBI Bioorg Med Chem Lett 21: 2468-71 (2011) AstraZeneca Charnwood 2D 3D TSV
21398122 38 Design and synthesis of pyridin-2-yloxymethylpiperidin-1-ylbutyl amide CCR5 antagonists that are potent inhibitors of M-tropic (R5) HIV-1 replication.EBI Bioorg Med Chem Lett 21: 2450-5 (2011) Genzyme Corp. 2D 3D TSV
21398121 51 2-(4-Carbonylphenyl)benzoxazole inhibitors of CETP: attenuation of hERG binding and improved HDLc-raising efficacy.EBI Bioorg Med Chem Lett 21: 2597-600 (2011) Merck Research Laboratories 2D 3D TSV
21397997 5 An expeditious access to 5-pyrimidinol derivatives from cyclic methylglyoxal diadducts, formation of argpyrimidines under physiological conditions and discovery of new CFTR inhibitors.EBI Eur J Med Chem 46: 1935-41 (2011) University Joseph Fourier-Grenoble 1/CNRS 2D 3D TSV
21397996 36 Benzophenone-based derivatives: a novel series of potent and selective dual inhibitors of acetylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation.EBI Eur J Med Chem 46: 1682-93 (2011) University of Bologna 2D 3D TSV
21397508 36 Synthesis, biological evaluation and molecular modeling of novel triazole-containing berberine derivatives as acetylcholinesterase and β-amyloid aggregation inhibitors.EBI Bioorg Med Chem 19: 2298-305 (2011) Sun Yat-sen University 2D 3D TSV
21397504 82 Exploration of new scaffolds as potential MAO-A inhibitors using pharmacophore and 3D-QSAR based in silico screening.EBI Bioorg Med Chem Lett 21: 2419-24 (2011) Bharati Vidyapeeth Deemed University 2D 3D TSV
21397501 54 Preparation, in vitro screening and molecular modelling of symmetrical bis-quinolinium cholinesterase inhibitors--implications for early myasthenia gravis treatment.EBI Bioorg Med Chem Lett 21: 2505-9 (2011) Charles University 2D 3D TSV
21397499 7 Synthesis and biological activity of hydroxy substituted phenyl-benzo[d]thiazole analogues for antityrosinase activity in B16 cells.EBI Bioorg Med Chem Lett 21: 2445-9 (2011) Pusan National University 2D 3D TSV
21397497 18 Discovery of non-peptide, small molecule antagonists ofa9a10 nicotinic acetylcholine receptors as novel analgesics for the treatment of neuropathic and tonic inflammatory pain.EBI Bioorg Med Chem Lett 21: 2476-9 (2011) University of Kentucky 2D 3D TSV
21397496 4 Selectivea-glucosidase substrates and inhibitors containing short aromatic peptidyl moieties.EBI Bioorg Med Chem Lett 21: 2441-4 (2011) Seoul National University 2D 3D TSV
21396815 20 Identification and optimization of tetrahydro-2H-3-benzazepin-2-ones as squalene synthase inhibitors.EBI Bioorg Med Chem Lett 21: 2554-8 (2011) Bayer Pharma AG 2D 3D TSV
21396746 4 Discovery of a potent peptidic cyclophilin A inhibitor Trp-Gly-Pro.EBI Eur J Med Chem 46: 1701-5 (2011) Fudan University 2D 3D TSV
21396745 11 Preparation and evaluation of tetrabenazine enantiomers and all eight stereoisomers of dihydrotetrabenazine as VMAT2 inhibitors.EBI Eur J Med Chem 46: 1841-8 (2011) China Pharmaceutical University 2D 3D TSV
21395315 4 Structural basis for the interaction between carbonic anhydrase and 1,2,3,4-tetrahydroisoquinolin-2-ylsulfonamides.EBI J Med Chem 54: 2522-6 (2011) Academy of Sciences of the Czech Republic 2D 3D TSV
21395312 42 Design, synthesis, and evaluation of novel 3,6-diaryl-4-aminoalkoxyquinolines as selective agonists of somatostatin receptor subtype 2.EBI J Med Chem 54: 2351-8 (2011) Merck Research Laboratories 2D 3D TSV
21392992 8 Susceptibility and mode of binding of the Mycobacterium tuberculosis cysteinyl transferase mycothiol ligase to tRNA synthetase inhibitors.EBI Bioorg Med Chem Lett 21: 2480-3 (2011) National Institute of Diabetes and Digestive and Kidney Diseases 2D 3D TSV
21392988 87 Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors.EBI Bioorg Med Chem Lett 21: 2492-6 (2011) Amgen Inc. 2D 3D TSV
21392987 25 Synthesis and SAR of novel benzoxaboroles as a new class of β-lactamase inhibitors.EBI Bioorg Med Chem Lett 21: 2533-6 (2011) Anacor Pharmaceuticals, Inc. 2D 3D TSV
21392984 50 Discovery and SAR of spirochromane Akt inhibitors.EBI Bioorg Med Chem Lett 21: 2410-4 (2011) Array BioPharma, Inc. 2D 3D TSV
21392859 1 Synthesis and biological evaluation of dibenz[b,f][1,5]oxazocine derivatives for agonist activity at κ-opioid receptor.EBI Eur J Med Chem 46: 1713-20 (2011) Indian Institute of Chemical Biology 2D 3D TSV
21392858 28 Preparation and pharmacological evaluation of a novel series of 2-(phenylthio)benzo[b]thiophenes as selective MT2 receptor ligands.EBI Eur J Med Chem 46: 1835-40 (2011) Universit£ Lille Nord de France 2D 3D TSV
21391689 63 Small molecule agonists of the orphan nuclear receptors steroidogenic factor-1 (SF-1, NR5A1) and liver receptor homologue-1 (LRH-1, NR5A2).EBI J Med Chem 54: 2266-81 (2011) University of Southampton 2D 3D TSV
21391686 12 Role of metalation in the topoisomerase IIa inhibition and antiproliferation activity of a series ofa-heterocyclic-N4-substituted thiosemicarbazones and their Cu(II) complexes.EBI J Med Chem 54: 2391-8 (2011) Memorial Sloan-Kettering Cancer Center 2D 3D TSV
21391610 139 Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors.EBI J Med Chem 54: 2341-50 (2011) Vertex Pharmaceuticals (Europe) Ltd. 2D 3D TSV
21388815 1 Synthesis and in vivo evaluation of (S)-6-(4-fluorophenoxy)-3-((1-[11C]methylpiperidin-3-yl)methyl)-2-o-tolylquinazolin-4(3H)-one, a potential PET tracer for growth hormone secretagogue receptor (GHSR).EBI Bioorg Med Chem 19: 2368-72 (2011) The Johns Hopkins University School of Medicine 2D 3D TSV
21388809 76 Discovery of benzothiazole-based adenosine A2B receptor antagonists with improved A2A selectivity.EBI Bioorg Med Chem Lett 21: 1933-6 (2011) Roche Research Center 2D 3D TSV
21388807 45 Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.EBI Bioorg Med Chem Lett 21: 1942-7 (2011) Novartis Institutes for BioMedical Research 2D 3D TSV
21388719 54 Synthesis, anti-inflammatory activity and COX-1/COX-2 inhibition of novel substituted cyclic imides. Part 1: Molecular docking study.EBI Eur J Med Chem 46: 1648-55 (2011) King Saud University 2D 3D TSV
21388142 57 Highly potent 5-aminotetrahydropyrazolopyridines: enantioselective dopamine D3 receptor binding, functional selectivity, and analysis of receptor-ligand interactions.EBI J Med Chem 54: 2477-91 (2011) Friedrich Alexander University 2D 3D TSV
21388141 22 Design and synthesis of imidazopyridine analogues as inhibitors of phosphoinositide 3-kinase signaling and angiogenesis.EBI J Med Chem 54: 2455-66 (2011) Korea Advanced Institute of Science and Technology 2D 3D TSV
21388136 9 Pro-soft Val-boroPro: a strategy for enhancing in vivo performance of boronic acid inhibitors of serine proteases.EBI J Med Chem 54: 2022-8 (2011) Tufts University Sackler School of Graduate Biomedical Sciences 2D 3D TSV
21384875 67 Fine-tuning the selectivity of aldosterone synthase inhibitors: structure-activity and structure-selectivity insights from studies of heteroaryl substituted 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one derivatives.EBI J Med Chem 54: 2307-19 (2011) Saarland University 2D 3D TSV
21382718 12 Syntheses of 2-deoxy-2,3-didehydro-N-acetylneuraminic acid analogues modified by N-sulfonylamidino groups at the C-4 position and biological evaluation as inhibitors of human parainfluenza virus type 1.EBI Bioorg Med Chem 19: 2418-27 (2011) University of Shizuoka 2D 3D TSV
21382717 19 Enantioselective synthesis of tranylcypromine analogues as lysine demethylase (LSD1) inhibitors.EBI Bioorg Med Chem 19: 3709-16 (2011) University of Southampton 2D 3D TSV
21381887 3 Synthesis and biological evaluation of fused oxepinocoumarins as free radicals scavengers.BDB J Enzyme Inhib Med Chem 26: 805-12 (2011) Aristotle University of Thessaloniki 2D 3D TSV
21381769 56 Macrocycles are great cycles: applications, opportunities, and challenges of synthetic macrocycles in drug discovery.EBI J Med Chem 54: 1961-2004 (2011) Universite£ de Sherbrooke 2D 3D TSV
21381763 52 The discovery of phthalazinone-based human H1 and H3 single-ligand antagonists suitable for intranasal administration for the treatment of allergic rhinitis.EBI J Med Chem 54: 2183-95 (2011) GlaxoSmithKline Medicines Research Centre 2D 3D TSV
21381754 15 Synthesis and biological evaluation of novel 5-benzylidenethiazolidine-2,4-dione derivatives for the treatment of inflammatory diseases.EBI J Med Chem 54: 2060-8 (2011) Sichuan University 2D 3D TSV
21381753 24 Design and evaluation of fragment-like estrogen receptor tetrahydroisoquinoline ligands from a scaffold-detection approach.EBI J Med Chem 54: 2005-11 (2011) Technische Universiteit Eindhoven 2D 3D TSV
21379374 19 Structures of 1-Deoxy-D-Xylulose-5-Phosphate Reductoisomerase/Lipophilic Phosphonate Complexes.EBI ACS Med Chem Lett 2: 165-170 (2011) Baylor College of Medicine 2D 3D TSV
21377879 44 Development of selective and reversible pyrazoline based MAO-B inhibitors: virtual screening, synthesis and biological evaluation.EBI Bioorg Med Chem Lett 21: 1969-73 (2011) Birla Institute of Technology 2D 3D TSV
21377875 19 Synthesis and pharmacological evaluation of novel benzoylazole-based PPARa/κ activators.EBI Bioorg Med Chem Lett 21: 1978-82 (2011) Dainippon Sumitomo Pharma Co, Ltd 2D 3D TSV
21377874 20 Synthesis and structure-activity relationships of phenylpropanoid amides of serotonin on tyrosinase inhibition.EBI Bioorg Med Chem Lett 21: 1983-6 (2011) Kinki University 2D 3D TSV
21377873 2 C20-trifluoro-5-oxo-ETE: a metabolically stable 5-oxo-ETE derivative.EBI Bioorg Med Chem Lett 21: 1987-90 (2011) Florida Institute of Technology 2D 3D TSV
21377772 13 Synthesis and biological evaluation of a diazepanone-based library of liposidomycins analogs as MraY inhibitors.EBI Eur J Med Chem 46: 1582-92 (2011) Universit£ Paris Descartes 2D 3D TSV
21377770 26 Pharmacophore-based virtual screening and Bayesian model for the identification of potential human leukotriene A4 hydrolase inhibitors.EBI Eur J Med Chem 46: 1593-603 (2011) Gyeongsang National University (GNU) 2D 3D TSV
21377769 30 Design and synthesis of naphthalenic derivatives as new ligands at the melatonin binding site MT3.EBI Eur J Med Chem 46: 1622-9 (2011) Univ Lille Nord de France 2D 3D TSV
21377369 60 Purification and inhibition studies with anions and sulfonamides of ana-carbonic anhydrase from the Antarctic seal Leptonychotes weddellii.EBI Bioorg Med Chem 19: 1847-51 (2011) Universit£ degli Studi di Firenze 2D 3D TSV
21376605 26 Synthesis of new glycyrrhetinic acid derived ring A azepanone, 29-urea and 29-hydroxamic acid derivatives as selective 11ß-hydroxysteroid dehydrogenase 2 inhibitors.EBI Bioorg Med Chem 19: 1866-80 (2011) University of Technology 2D 3D TSV
21376604 11 Effect of structural modification in the amine portion of substituted aminobutyl-benzamides as ligands for bindings1 ands2 receptors.EBI Bioorg Med Chem 19: 1852-9 (2011) University of Missouri-Columbia 2D 3D TSV
21376588 4 Discovery of indole alkaloids with cannabinoid CB1 receptor antagonistic activity.EBI Bioorg Med Chem Lett 21: 1962-4 (2011) Chiba University 2D 3D TSV
21376587 15 Hybrid compounds as new Bcr/Abl inhibitors.EBI Bioorg Med Chem Lett 21: 1965-8 (2011) Chinese Academy of Sciences 2D 3D TSV
21376585 120 Discovery of 3-aryl-5-acylpiperazinyl-pyrazoles as antagonists to the NK3 receptor.EBI Bioorg Med Chem Lett 21: 1991-6 (2011) Euroscreen SA 2D 3D TSV
21376583 232 Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.EBI Bioorg Med Chem Lett 21: 2064-70 (2011) Amgen Inc 2D 3D TSV
21375347 5 Pyrimidine-2,4,6-trione derivatives and their inhibition of mutant SOD1-dependent protein aggregation. Toward a treatment for amyotrophic lateral sclerosis.EBI J Med Chem 54: 2409-21 (2011) Northwestern University 2D 3D TSV
21375264 77 Discovery of 6-(2,4-difluorophenoxy)-2-[3-hydroxy-1-(2-hydroxyethyl)propylamino]-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (pamapimod) and 6-(2,4-difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (R1487) as orally bioavailable and highly selective inhibitorsEBI J Med Chem 54: 2255-65 (2011) Roche Palo Alto LLC 2D 3D TSV
21371789 4 In silico and in vitro validation of serine hydroxymethyltransferase as a chemotherapeutic target of the antifolate drug pemetrexed.EBI Eur J Med Chem 46: 1616-21 (2011) Sapienza Universit£ di Roma 2D 3D TSV
21370884 80 New glucocerebrosidase inhibitors by exploration of chemical diversity of N-substituted aminocyclitols using click chemistry and in situ screening.EBI J Med Chem 54: 2069-79 (2011) Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas) 2D 3D TSV
21367493 32 Syntheses and characterization of novel oxoisoaporphine derivatives as dual inhibitors for cholinesterases and amyloid beta aggregation.EBI Eur J Med Chem 46: 1572-81 (2011) Sun Yat-sen University 2D 3D TSV
21366332 60 1-[(1-methyl-1H-imidazol-2-yl)methyl]-4-phenylpiperidines as mGluR2 positive allosteric modulators for the treatment of psychosis.EBI J Med Chem 54: 1724-39 (2011) Pfizer Inc. 2D 3D TSV
21366329 29 Benzimidazole inhibitors induce a DFG-out conformation of never in mitosis gene A-related kinase 2 (Nek2) without binding to the back pocket and reveal a nonlinear structure-activity relationship.EBI J Med Chem 54: 1626-39 (2011) Institute of Cancer Research 2D 3D TSV
21366301 10 Synthesis of new (-)-bestatin-based inhibitor libraries reveals a novel binding mode in the S1 pocket of the essential malaria M1 metalloaminopeptidase.EBI J Med Chem 54: 1655-66 (2011) University of Pennsylvania 2D 3D TSV
21366295 40 Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity.EBI J Med Chem 54: 1914-26 (2011) The Walter and Eliza Hall Institute of Medical Research 2D 3D TSV
21366266 66 Discovery of a potent and efficacious peptide derivative ford/µ opioid agonist/neurokinin 1 antagonist activity with a 2',6'-dimethyl-L-tyrosine: in vitro, in vivo, and NMR-based structural studies.EBI J Med Chem 54: 2029-38 (2011) University of Arizona 2D 3D TSV
21361354 112 Ureido-substituted benzenesulfonamides potently inhibit carbonic anhydrase IX and show antimetastatic activity in a model of breast cancer metastasis.EBI J Med Chem 54: 1896-902 (2011) Universita` degli Studi di Firenze 2D 3D TSV
21361292 18 Activation of the G-protein-coupled receptor 119: a conformation-based hypothesis for understanding agonist response.EBI J Med Chem 54: 1948-52 (2011) Pfizer Inc. 2D 3D TSV
21356569 20 Discovery of novel SCD1 inhibitors: 5-alkyl-4,5-dihydro-3H-spiro[1,5-benzoxazepine-2,4'-piperidine] analogs.EBI Eur J Med Chem 46: 1892-6 (2011) Daiichi Sankyo Co., Ltd. 2D 3D TSV
21355602 56 Zwitterionic CRTh2 antagonists.EBI J Med Chem 54: 1779-88 (2011) AstraZeneca R& D Charnwood 2D 3D TSV
21354800 77 Structure-activity relationships of flavonoids as inhibitors of breast cancer resistance protein (BCRP).EBI Bioorg Med Chem 19: 2090-102 (2011) University of Bonn 2D 3D TSV
21354795 95 1,4-Diazepane compounds as potent and selective CB2 agonists: optimization of metabolic stability.EBI Bioorg Med Chem Lett 21: 2011-6 (2011) Boehringer Ingelheim Pharmaceuticals 2D 3D TSV
21354793 100 Pyridinesulfonylureas and pyridinesulfonamides as selective bombesin receptor subtype-3 (BRS-3) agonists.EBI Bioorg Med Chem Lett 21: 2040-3 (2011) Merck Research Laboratories 2D 3D TSV
21354792 4 Structure-based virtual screening approach to the discovery of phosphoinositide 3-kinase alpha inhibitors.EBI Bioorg Med Chem Lett 21: 2021-4 (2011) Sejong University 2D 3D TSV
21354674 14 The many faces of the adamantyl group in drug design.EBI Eur J Med Chem 46: 1949-63 (2011) University of Sydney 2D 3D TSV
21353784 35 Development of sulfonamide AKT PH domain inhibitors.EBI Bioorg Med Chem 19: 2046-54 (2011) The University of Arizona 2D 3D TSV
21353783 37 Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors.EBI Bioorg Med Chem 19: 3678-89 (2011) Albert-Ludwigs-University of Freiburg 2D 3D TSV
21353782 61 Discovery of a new 2-aminobenzhydrol template for highly potent squalene synthase inhibitors.EBI Bioorg Med Chem 19: 1930-49 (2011) Daiichi Sankyo Co., Ltd 2D 3D TSV
21353776 5 8-Hydroxynaphthalene-1,4-dione derivative as novel compound for glioma treatment.EBI Bioorg Med Chem Lett 21: 2079-82 (2011) University of Padova 2D 3D TSV
21353774 81 Discovery of PF-00217830: aryl piperazine napthyridinones as D2 partial agonists for schizophrenia and bipolar disorder.EBI Bioorg Med Chem Lett 21: 2621-5 (2011) Pfizer Inc. 2D 3D TSV
21353571 26 Structure based design and syntheses of amino-1H-pyrazole amide derivatives as selective Raf kinase inhibitors in melanoma cells.EBI Bioorg Med Chem 19: 1915-23 (2011) Hanyang University 2D 3D TSV
21353570 25 Novel and potent calcium-sensing receptor antagonists: discovery of (5R)-N-[1-ethyl-1-(4-ethylphenyl)propyl]-2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide monotosylate (TAK-075) as an orally active bone anabolic agent.EBI Bioorg Med Chem 19: 1881-94 (2011) Takeda Pharmaceutical Company Ltd 2D 3D TSV
21353569 54 A rational approach for the design and synthesis of 1-acetyl-3,5-diaryl-4,5-dihydro(1H)pyrazoles as a new class of potential non-purine xanthine oxidase inhibitors.EBI Bioorg Med Chem 19: 1950-8 (2011) Indo-Soviet Friendship College of Pharmacy 2D 3D TSV
21353551 23 Imidazo[1,5-a]pyrazines: orally efficacious inhibitors of mTORC1 and mTORC2.EBI Bioorg Med Chem Lett 21: 2092-7 (2011) OSI Pharmaceuticals, Inc 2D 3D TSV
21353547 6 Identification and evaluation of soft coral diterpenes as inhibitors of HIF-2a induced gene expression.EBI Bioorg Med Chem Lett 21: 2113-5 (2011) NCI-Frederick 2D 3D TSV
21353546 78 Impact of aryloxy-linked quinazolines: a novel series of selective VEGFR-2 receptor tyrosine kinase inhibitors.EBI Bioorg Med Chem Lett 21: 2106-12 (2011) Univ Lille Nord de France, F-59000 Lille, France; UDSL, ICPAL, EA 4481, F-59006 Lille, France. 2D 3D TSV
21353545 39 Structure-activity relationship study of 2,4-diaminothiazoles as Cdk5/p25 kinase inhibitors.EBI Bioorg Med Chem Lett 21: 2098-101 (2011) Harvard Medical School 2D 3D TSV
21353541 25 Design of a novel pyrrolidine scaffold utilized in the discovery of potent and selective humanß3 adrenergic receptor agonists.EBI Bioorg Med Chem Lett 21: 1865-70 (2011) Merck Research Laboratories 2D 3D TSV
21353540 55 Synthesis and SAR studies of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V1b receptor antagonists.EBI Bioorg Med Chem Lett 21: 1871-5 (2011) MSD 2D 3D TSV
21353350 61 Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors.EBI Eur J Med Chem 46: 1483-98 (2011) Ludwig-Maximilians-University Munich 2D 3D TSV
21351746 116 Aminothiazolomorphinans with mixed¿ andµ opioid activity.EBI J Med Chem 54: 1903-13 (2011) Harvard Medical School 2D 3D TSV
21349729 44 Syntheses and characterization of nimesulide derivatives for dual enzyme inhibitors of both cyclooxygenase-1/2 and 5-lipoxygenase.EBI Bioorg Med Chem 19: 2074-83 (2011) Sun Yat-Sen University 2D 3D TSV
21349728 12 Parallel solid-phase synthesis of a small library of linear and hydrocarbon-bridged analogues of VEGF(81-91): potential biological tools for studying the VEGF/VEGFR-1 interaction.EBI Bioorg Med Chem 19: 1978-86 (2011) Instituto de Qu£mica M£dica 2D 3D TSV
21349726 19 CD22-antagonists with nanomolar potency: the synergistic effect of hydrophobic groups at C-2 and C-9 of sialic acid scaffold.EBI Bioorg Med Chem 19: 1966-71 (2011) Gifu University 2D 3D TSV
21349714 118 Tetrahydroquinolin-3-yl carbamate glucocorticoid receptor agonists with reduced PEPCK activation.EBI Bioorg Med Chem Lett 21: 1658-62 (2011) Ligand Pharmaceuticals 2D 3D TSV
21349713 35 Synthesis and biological evaluation of 4-quinazolinones as Rho kinase inhibitors.EBI Bioorg Med Chem Lett 21: 1844-8 (2011) Translational Research Institute 2D 3D TSV
21349712 15 Design and synthesis of tricyclic tetrahydroquinolines as a new series of nonsteroidal selective androgen receptor modulators (SARMs).EBI Bioorg Med Chem Lett 21: 1744-7 (2011) Kaken Pharmaceutical Co., Ltd 2D 3D TSV
21349711 19 The discovery of potent and long-acting oral factor Xa inhibitors with tetrahydroisoquinoline and benzazepine P4 motifs.EBI Bioorg Med Chem Lett 21: 1588-92 (2011) GlaxoSmithKline 2D 3D TSV
21349710 21 Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs.EBI Bioorg Med Chem Lett 21: 1582-7 (2011) GlaxoSmithKline 2D 3D TSV
21349709 6 Exploring new near-infrared fluorescent disulfide-based cyclic RGD peptide analogs for potential integrin-targeted optical imaging.EBI Bioorg Med Chem Lett 21: 2116-20 (2011) Washington University School of Medicine 2D 3D TSV
21349610 2 Synthesis and biological activity of novel N6-substituted and 2,N6-disubstituted adenine ribo- and 3'-C-methyl-ribonucleosides as antitumor agents.EBI Eur J Med Chem 46: 1499-504 (2011) University of Camerino 2D 3D TSV
21348515 75 Synthesis and pharmacological evaluation of fluorine-containing D3 dopamine receptor ligands.EBI J Med Chem 54: 1555-64 (2011) Washington University School of Medicine 2D 3D TSV
21348462 64 Triazole ligands reveal distinct molecular features that induce histamine H4 receptor affinity and subtly govern H4/H3 subtype selectivity.EBI J Med Chem 54: 1693-703 (2011) VU University Amsterdam 2D 3D TSV
21346002 5 Metabolism of the c-Fos/activator protein-1 inhibitor T-5224 by multiple human UDP-glucuronosyltransferase isoforms.EBI Drug Metab Dispos 39: 803-13 (2011) Toyama Chemical Co., Ltd. 2D 3D TSV
21345683 42 Isolation, structure identification and SAR studies on thiosugar sulfonium salts, neosalaprinol and neoponkoranol, as potenta-glucosidase inhibitors.EBI Bioorg Med Chem 19: 2015-22 (2011) Kinki University 2D 3D TSV
21345673 33 Design, synthesis and SAR of novel ethylenediamine and phenylenediamine derivatives as factor Xa inhibitors.EBI Bioorg Med Chem Lett 21: 2133-40 (2011) Daiichi Sankyo Co, Ltd 2D 3D TSV
21345672 28 Synthesis, biological evaluation and molecular docking studies of stellatin derivatives as cyclooxygenase (COX-1, COX-2) inhibitors and anti-inflammatory agents.EBI Bioorg Med Chem Lett 21: 1612-6 (2011) National Institute of Pharmaceutical Education and Research (NIPER) 2D 3D TSV
21345544 13 Antioxidant xanthone derivatives induce cell cycle arrest and apoptosis and enhance cell death induced by cisplatin in NTUB1 cells associated with ROS.EBI Eur J Med Chem 46: 1222-31 (2011) Kaohsiung Medical University 2D 3D TSV
21344920 36 Structure-activity relationship and multidrug resistance study of new S-trityl-L-cysteine derivatives as inhibitors of Eg5.EBI J Med Chem 54: 1576-86 (2011) Institute for Cancer Research 2D 3D TSV
21344906 54 Improvement in aqueous solubility in small molecule drug discovery programs by disruption of molecular planarity and symmetry.EBI J Med Chem 54: 1539-54 (2011) The University of Tokyo 2D 3D TSV
21344069 43 Structure-Activity Relationships at the Monoamine Transporters for a Novel Series of Modafinil (2-[(diphenylmethyl)sulfinyl]acetamide) Analogues.EBI ACS Med Chem Lett 2: 48-52 (2011) National Institute on Drug Abuse - Intramural Research Program 2D 3D TSV
21341745 4 A novel approach for predicting P-glycoprotein (ABCB1) inhibition using molecular interaction fields.EBI J Med Chem 54: 1740-51 (2011) University of Perugia 2D 3D TSV
21341744 141 A class of 5-benzylidene-2-phenylthiazolinones with high potency as direct 5-lipoxygenase inhibitors.EBI J Med Chem 54: 1943-7 (2011) Goethe University Frankfurt 2D 3D TSV
21341743 42 Design, synthesis, and biological evaluation of imidazolyl derivatives of 4,7-disubstituted coumarins as aromatase inhibitors selective over 17-a-hydroxylase/C17-20 lyase.EBI J Med Chem 54: 1613-25 (2011) Universita` degli Studi di Bari Aldo Moro 2D 3D TSV
21341682 37 Discovery, optimization, and pharmacological characterization of novel heteroaroylphenylureas antagonists of C-C chemokine ligand 2 function.EBI J Med Chem 54: 1667-81 (2011) Telik, Inc. 2D 3D TSV
21341678 49 Design and optimization of potent and orally bioavailable tetrahydronaphthalene Raf inhibitors.EBI J Med Chem 54: 1836-46 (2011) Millennium Pharmaceuticals, Inc. 2D 3D TSV
21341675 266 Structure-based design of potent and selective 3-phosphoinositide-dependent kinase-1 (PDK1) inhibitors.EBI J Med Chem 54: 1871-95 (2011) GlaxoSmithKline 2D 3D TSV
21341673 106 Discovery of a novel series of inhibitors of lymphoid tyrosine phosphatase with activity in human T cells.EBI J Med Chem 54: 1640-54 (2011) University of Southern California 2D 3D TSV
21338114 27 Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A.EBI J Nat Prod 74: 718-26 (2011) University of Iowa 2D 3D TSV
21337480 17 Design and synthesis of conformationally constrained cyclophilin inhibitors showing a cyclosporin-A phenotype in C. elegans.BDB Chembiochem 12: 802-10 (2011) The University of Edinburgh 2D 3D TSV
21334902 46 Further SAR study on 11-O-substituted aporphine analogues: identification of highly potent dopamine D3 receptor ligands.EBI Bioorg Med Chem 19: 1999-2008 (2011) Chinese Academy of Sciences 2D 3D TSV
21334896 18 Discovery of histone deacetylase 8 selective inhibitors.EBI Bioorg Med Chem Lett 21: 2601-5 (2011) Howard Hughes Medical Institute 2D 3D TSV
21334894 218 Substituted phenyl triazoles as selective inhibitors of 11 β-Hydroxysteroid Dehydrogenase Type 1.EBI Bioorg Med Chem Lett 21: 2141-5 (2011) Merck& Co 2D 3D TSV
21334892 39 Pharmacokinetic optimisation of novel indole-2-carboxamide cannabinoid CB1 antagonists.EBI Bioorg Med Chem Lett 21: 2034-9 (2011) MSD 2D 3D TSV
21334890 6 Probing the isoprenylcysteine carboxyl methyltransferase (Icmt) binding pocket: sulfonamide modified farnesyl cysteine (SMFC) analogs as Icmt inhibitors.EBI Bioorg Med Chem Lett 21: 2616-20 (2011) Purdue University 2D 3D TSV
21334796 4 Structure-based design and biological profile of (E)-N-(4-Nitrobenzylidene)-2-naphthohydrazide, a novel small molecule inhibitor of I¿B kinase-ß.EBI Eur J Med Chem 46: 1245-53 (2011) Universidade Federal do Rio de Janeiro 2D 3D TSV
21334791 8 Synthesis and evaluation of bibenzyl glycosides as potent tyrosinase inhibitors.EBI Eur J Med Chem 46: 1374-81 (2011) Utsunomiya University 2D 3D TSV
21334206 39 Antidotes to anthrax lethal factor intoxication. Part 2: structural modifications leading to improved in vivo efficacy.EBI Bioorg Med Chem Lett 21: 2030-3 (2011) PanThera Biopharma, LLC 2D 3D TSV
21334204 26 Discovery of potent dipeptidyl peptidase IV inhibitors derived fromß-aminoamides bearing substituted [1,2,3]-triazolopiperidines for the treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 21: 1731-5 (2011) Shandong University of Traditional Chinese Medicine 2D 3D TSV
21334203 62 Synthesis and evaluation of novel pyrimidine-based dual EGFR/Her-2 inhibitors.EBI Bioorg Med Chem Lett 21: 1601-6 (2011) Shionogi& Co., Ltd 2D 3D TSV
21334118 1 Synthesis and biological evaluation of indazole derivatives.EBI Eur J Med Chem 46: 1439-47 (2011) UNED 2D 3D TSV
21333534 16 Development of 2,4-diaminopyrimidine derivatives as novel SNSR4 antagonists.EBI Bioorg Med Chem Lett 21: 2102-5 (2011) AstraZeneca R&D Montreal 2D 3D TSV
21333408 21 2-Substituted 5,6-dimethyl-3-phenylsulfonyl-pyrazolo[1,5-a]pyrimidines: new series of highly potent and specific serotonin 5-HT6 receptor antagonists.EBI Eur J Med Chem 46: 1189-97 (2011) Chemical Diversity Research Institute 2D 3D TSV
21332213 10 Discovery of N-hydroxyindole-based inhibitors of human lactate dehydrogenase isoform A (LDH-A) as starvation agents against cancer cells.EBI J Med Chem 54: 1599-612 (2011) Universita` di Pisa 2D 3D TSV
21332118 157 Discovery and optimization of a series of benzothiazole phosphoinositide 3-kinase (PI3K)/mammalian target of rapamycin (mTOR) dual inhibitors.EBI J Med Chem 54: 1789-811 (2011) Amgen Inc. 2D 3D TSV
21332115 162 Natural product-based phenols as novel probes for mycobacterial and fungal carbonic anhydrases.EBI J Med Chem 54: 1682-92 (2011) Griffith University 2D 3D TSV
21330134 4 Discovery of new inhibitor for PDE3 by virtual screening.EBI Bioorg Med Chem Lett 21: 1617-20 (2011) Korea Research Institute of Chemical Technology 2D 3D TSV
21330016 96 Synthesis and pharmacological evaluation of bivalent antagonists of the nociceptin opioid receptor.EBI Eur J Med Chem 46: 1207-21 (2011) Istituto Superiore di Sanit£ 2D 3D TSV
21330015 2 Design, synthesis and X-ray crystallographic study of NAmPRTase inhibitors as anti-cancer agents.EBI Eur J Med Chem 46: 1153-64 (2011) School of Life Science 2D 3D TSV
21330014 28 Synthesis and biological evaluation of unsaturated keto and exomethylene D-arabinopyranonucleoside analogs: novel 5-fluorouracil analogs that target thymidylate synthase.EBI Eur J Med Chem 46: 993-1005 (2011) University of Thessaly 2D 3D TSV
21324704 4 Discovery of novel (4-piperidinyl)-piperazines as potent and orally active acetyl-CoA carboxylase 1/2 non-selective inhibitors: F-Boc and triF-Boc groups are acid-stable bioisosteres for the Boc group.EBI Bioorg Med Chem 19: 1580-93 (2011) Taisho Pharmaceutical Co., Ltd 2D 3D TSV
21324702 40 Cofactor-type inhibitors of inosine monophosphate dehydrogenase via modular approach: targeting the pyrophosphate binding sub-domain.EBI Bioorg Med Chem 19: 1594-605 (2011) University of Minnesota 2D 3D TSV
21324691 24 N-benzylimidazole carboxamides as potent, orally active stearoylCoA desaturase-1 inhibitors.EBI Bioorg Med Chem Lett 21: 1621-5 (2011) Pfizer Inc. 2D 3D TSV
21324689 74 Nonsteroidal 2,3-dihydroquinoline glucocorticoid receptor agonists with reduced PEPCK activation.EBI Bioorg Med Chem Lett 21: 1654-7 (2011) Ligand Pharmaceuticals 2D 3D TSV
21324688 36 1-((3S,4S)-4-amino-1-(4-substituted-1,3,5-triazin-2-yl) pyrrolidin-3-yl)-5,5-difluoropiperidin-2-one inhibitors of DPP-4 for the treatment of type 2 diabetes.EBI Bioorg Med Chem Lett 21: 1810-4 (2011) Pfizer Inc. 2D 3D TSV
21324683 1 KDR inhibitor with the intramolecular non-bonded interaction: conformation-activity relationships of novel indole-3-carboxamide derivatives.EBI Bioorg Med Chem Lett 21: 1782-5 (2011) Santen Pharmaceutical Co. Ltd 2D 3D TSV
21324682 1 Efficient synthesis of triazole moiety-containing nucleotide analogs and their inhibitory effects on a malic enzyme.EBI Bioorg Med Chem Lett 21: 1667-9 (2011) Institute of Chemical Physics 2D 3D TSV
21324681 23 Isatin 1,2,3-triazoles as potent inhibitors against caspase-3.EBI Bioorg Med Chem Lett 21: 1626-9 (2011) University of Oslo 2D 3D TSV
21323313 45 Structure-based discovery of inhibitors of microsomal prostaglandin E2 synthase-1, 5-lipoxygenase and 5-lipoxygenase-activating protein: promising hits for the development of new anti-inflammatory agents.EBI J Med Chem 54: 1565