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| PMID | Data | Article Title | Citation | Organization | Data Download |
|---|---|---|---|---|---|
| 21999614 | 11 | Cannabinomimetic lipid from a marine cyanobacterium. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6646-51 (2011) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 21996518 | 16 | Rational design of 2-pyrrolinones as inhibitors of HIV-1 integrase. |
Bioorg Med Chem Lett 21: 6724-7 (2011) | Fudan University | 2D 3D TSV |
| 21996517 | 5 | Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV. |
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. |
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. |
Eur J Med Chem 46: 5641-53 (2011) | Sapienza University of Rome | 2D 3D TSV |
| 21995460 | 23 | Metabolism-directed design of oxetane-containing arylsulfonamide derivatives as ?-secretase inhibitors. |
J Med Chem 54: 7772-83 (2011) | Pfizer Inc. | 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. |
J Med Chem 54: 8051-65 (2011) | Astellas Pharma Inc | 2D 3D TSV |
| 21992804 | 1 | Daedalols A-C, fungal-derived BACE1 inhibitors. |
Bioorg Med Chem 19: 6581-6 (2011) | University of Hawaii at Manoa | 2D 3D TSV |
| 21992176 | 52 | Novel analgesic/anti-inflammatory agents: diarylpyrrole acetic esters endowed with nitric oxide releasing properties. |
J Med Chem 54: 7759-71 (2011) | Sapienza University of Rome | 2D 3D TSV |
| 21992004 | 78 | Selective aurora kinase inhibitors identified using a taxol-induced checkpoint sensitivity screen. |
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. |
J Med Chem 55: 2-22 (2012) | University of Messina | 2D 3D TSV |
| 21988093 | 316 | Highly potent, selective, and orally active phosphodiesterase 10A inhibitors. |
J Med Chem 54: 7621-38 (2011) | Pfizer Inc | 2D 3D TSV |
| 21986588 | 19 | Carbazole-containing arylcarboxamides as BACE1 inhibitors. |
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. |
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. |
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. |
Eur J Med Chem 46: 5625-35 (2011) | Targacept Inc | 2D 3D TSV |
| 21985673 | 14 | Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase. |
J Med Chem 54: 7920-33 (2011) | Merck Co. | 2D 3D TSV |
| 21985639 | 70 | Rational design of phosphoinositide 3-kinasea inhibitors that exhibit selectivity over the phosphoinositide 3-kinaseß isoform. |
J Med Chem 54: 7815-33 (2011) | Genentech | 2D 3D TSV |
| 21985426 | 27 | Chromone containing sulfonamides as potent carbonic anhydrase inhibitors. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6788-92 (2011) | Emory University | 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). |
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. |
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). |
Bioorg Med Chem Lett 21: 6699-704 (2011) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 21983437 | 37 | Synthesis and acrosin inhibitory activity of substituted 4-amino-N-(diaminomethylene) benzenesulfonamide derivatives. |
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. |
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. |
Bioorg Med Chem 19: 6949-65 (2011) | The Institute of Cancer Research | 2D 3D TSV |
| 21982795 | 81 | Discovery of new orally active prostaglandin D2 receptor antagonists. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 6182-95 (2011) | University of Hawaii 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. |
Bioorg Med Chem 19: 6383-99 (2011) | Takeda Pharmaceutical Co., 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. |
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. |
Bioorg Med Chem Lett 21: 6824-8 (2011) | Chungnam National University | 2D 3D TSV |
| 21978679 | 10 | 4-N-Hydroxy-4-[1-(sulfonyl)piperidin-4-yl]-butyramides as HDAC inhibitors. |
Bioorg Med Chem Lett 21: 6767-9 (2011) | Menarini Ricerche Pomezia | 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. |
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. |
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). |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6899-904 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21974956 | 11 | AHL-dependent quorum sensing inhibition: synthesis and biological evaluation ofa-(N-alkyl-carboxamide)-¿-butyrolactones anda-(N-alkyl-sulfonamide)-¿-butyrolactones. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6773-7 (2011) | Exelixis Inc | 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. |
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. |
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. |
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. |
J Biol Chem 286: 40867-77 (2011) | Millennium Pharmaceuticals Inc | 2D 3D TSV |
| 21968372 | 1 | Aminoacyl-tRNA synthetase inhibitors as potential antibiotics. |
Eur J Med Chem 46: 5227-36 (2011) | Katholieke Universiteit Leuven | 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. |
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. |
Bioorg Med Chem 19: 6210-24 (2011) | University of Pavia | 2D 3D TSV |
| 21966980 | 5 | Novel orally active antimalarial thiazoles. |
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. |
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 antiparkin |
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. |
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. |
Bioorg Med Chem Lett 21: 6842-51 (2011) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 21963985 | 19 | Identification of 4-quinolone derivatives as inhibitors of reactive oxygen species production from human umbilical vein endothelial cells. |
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. |
Eur J Med Chem 46: 5549-55 (2011) | Sun Pharma Advanced Research Company Ltd | 2D 3D TSV |
| 21963115 | 3 | Oligopeptide cyclophilin inhibitors: a reassessment. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 6518-24 (2011) | Nanjing University | 2D 3D TSV |
| 21962147 | 113 | Structure-activity studies of diazabicyclo[3.3.0]octane-substituted pyrazines and pyridines as potent ?4?2 nicotinic acetylcholine receptor ligands. |
J Med Chem 54: 7678-92 (2011) | Abbott Laboratories | 2D 3D TSV |
| 21962108 | 14 | Lactam-stabilized helical analogues of the analgesicµ-conotoxin KIIIA. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 8000-12 (2011) | Eli Lilly and Company | 2D 3D TSV |
| 21958292 | 7 | Synthesis and biochemical evaluation ofd(2)-isoxazoline derivatives as DNA methyltransferase 1 inhibitors. |
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). |
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. |
Bioorg Med Chem Lett 21: 6348-52 (2011) | Pfizer Inc | 2D 3D TSV |
| 21955939 | 49 | Discovery of pyrazoles as novel FPR1 antagonists. |
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). |
Bioorg Med Chem 19: 6409-18 (2011) | Martin-Luther-University Halle-Wittenberg | 2D 3D TSV |
| 21955454 | 53 | 1,1-Diarylalkenes as anticancer agents: dual inhibitors of tubulin polymerization and phosphodiesterase 4. |
Bioorg Med Chem 19: 6356-74 (2011) | Celgene Corporation | 2D 3D TSV |
| 21955276 | 60 | Lysine demethylases inhibitors. |
J Med Chem 54: 8236-50 (2011) | Kyoto Prefectural University of Medicine | 2D 3D TSV |
| 21955244 | 17 | Optimization of propafenone analogues as antimalarial leads. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6366-9 (2011) | Novartis Institutes of BioMedical Research | 2D 3D TSV |
| 21945283 | 22 | Combining symmetry elements results in potent naphthyridinone (NTD) HIV-1 integrase inhibitors. |
Bioorg Med Chem Lett 21: 6461-4 (2011) | GlaxoSmithKline Research & Development | 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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6314-8 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21944853 | 41 | Mepyramine-JNJ7777120-hybrid compounds show high affinity to hH(1)R, but low affinity to hH(4)R. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 7334-49 (2011) | Merck & Co. | 2D 3D TSV |
| 21940174 | 4 | A sucrose-derived scaffold for multimerization of bioactive peptides. |
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. |
Bioorg Med Chem 19: 6492-504 (2011) | Ludwig-Maximilians-University Munich | 2D 3D TSV |
| 21940169 | 36 | Homo- and hetero-dimers of inactive organophosphorous group binding at dual sites of AChE. |
Bioorg Med Chem Lett 21: 6404-8 (2011) | Chinese Academy of Agricultural Sciences | 2D 3D TSV |
| 21940167 | 12 | Design and synthesis of a library of chemokine antagonists. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 7268-79 (2011) | Industrial Research Limited | 2D 3D TSV |
| 21936524 | 21 | Discovery of aryloxy tetramethylcyclobutanes as novel androgen receptor antagonists. |
J Med Chem 54: 7693-704 (2011) | Pfizer Inc | 2D 3D TSV |
| 21930388 | 6 | Novel diarylpyridinones, diarylpyridazinones and diarylphthalazinones as potential HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs). |
Bioorg Med Chem 19: 5924-34 (2011) | University of Antwerp | 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. |
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. |
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. |
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. |
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). |
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. |
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 17ß-HSD1 Inhibitor 16ß-(m-Carbamoylbenzyl)estradiol. |
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. |
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. |
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. |
Bioorg Med Chem 19: 6026-32 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21925887 | 10 | Synthesis and biological evaluation of new opioid agonist and neurokinin-1 antagonist bivalent ligands. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6603-7 (2011) | Chungnam National University | 2D 3D TSV |
| 21924610 | 3 | Aminothiazoles as¿-secretase modulators. |
Bioorg Med Chem Lett 21: 6554-8 (2011) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 21924609 | 28 | Conversion of systemically-distributed triazole-based stearoyl-CoA desaturase (SCD) uHTS hits into liver-targeted SCD inhibitors. |
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. |
Bioorg Med Chem Lett 21: 6409-13 (2011) | Takeda Pharmaceutical Co., Ltd | 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). |
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. |
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. |
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. |
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. |
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. |
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. |
J Nat Prod 74: 2282-5 (2011) | University of Bonn | 2D 3D TSV |
| 21920767 | 1 | Synthesis and biological evaluation of phenstatin metabolites. |
Bioorg Med Chem 19: 6042-54 (2011) | University of Lille | 2D 3D TSV |
| 21920766 | 64 | Metronidazole acid acyl sulfonamide: a novel class of anticancer agents and potential EGFR tyrosine kinase inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6567-72 (2011) | University of Strasburg | 2D 3D TSV |
| 21920744 | 111 | Tricyclic aminopyrimidine histamine H4 receptor antagonists. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6414-6 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21917454 | 159 | Design, synthesis and SAR of indazole and benzoisoxazole containing 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists. |
Bioorg Med Chem Lett 21: 6042-8 (2011) | Johnson & Johnson Pharmaceutical Research and Development LLC | 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. |
J Med Chem 54: 7299-317 (2011) | Merck Serono | 2D 3D TSV |
| 21916489 | 11 | Design, synthesis, and X-ray crystallographic analysis of a novel class of HIV-1 protease inhibitors. |
J Med Chem 54: 7176-83 (2011) | Stevens Institute of Technology | 2D 3D TSV |
| 21916484 | 41 | 6-arylcoumarins as novel nonsteroidal type progesterone antagonists: an example with receptor-binding-dependent fluorescence. |
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. |
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). |
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. |
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. |
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. |
Bioorg Med Chem 19: 6015-25 (2011) | Shandong University | 2D 3D TSV |
| 21911291 | 13 | Potent inhibition of bacterial neuraminidase activity by pterocarpans isolated from the roots of Lespedeza bicolor. |
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. |
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? |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 5886-95 (2011) | University of Utah | 2D 3D TSV |
| 21903401 | 21 | 1-[2-(2-Benzoyl- and 2-benzylphenoxy)ethyl]uracils as potent anti-HIV-1 agents. |
Bioorg Med Chem 19: 5794-802 (2011) | Volgograd State Medical University | 2D 3D TSV |
| 21903399 | 26 | Inhibitory effect of novel 5-O-acyl juglones on mammalian DNA polymerase activity, cancer cell growth and inflammatory response. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 6188-94 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21903387 | 12 | Biological evaluation and docking studies of natural isocoumarins as inhibitors for human kallikrein 5 and 7. |
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. |
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. |
J Med Chem 54: 7232-46 (2011) | Amgen Inc | 2D 3D TSV |
| 21902175 | 24 | Bioactive prenylogous cannabinoid from fiber hemp (Cannabis sativa). |
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. |
Eur J Med Chem 46: 5154-61 (2011) | The University of Mississippi | 2D 3D TSV |
| 21899930 | 37 | Monoamine oxidase inhibition by selected anilide derivatives. |
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. |
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. |
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-791 |
J Med Chem 54: 7318-33 (2011) | Bristol-Myers Squibb Co. | 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. |
J Med Chem 54: 6734-50 (2011) | AstraZeneca | 2D 3D TSV |
| 21895016 | 41 | Structure-based design of pseudopeptidic inhibitors for SIRT1 and SIRT2. |
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. |
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. |
Bioorg Med Chem Lett 21: 6154-60 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21889349 | 20 | Modeling the molecular basis fora4ß1 integrin antagonism. |
Bioorg Med Chem 19: 5903-11 (2011) | Ian Wark Laboratories | 2D 3D TSV |
| 21889345 | 11 | Synthesis, biological evaluation and molecular docking studies of 1,3,4-thiadiazole derivatives containing 1,4-benzodioxan as potential antitumor agents. |
Bioorg Med Chem Lett 21: 6116-21 (2011) | Nanjing University | 2D 3D TSV |
| 21889344 | 66 | Acylglycinamides as inhibitors of glycine transporter type 1. |
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. |
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. |
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). |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 5342-51 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21885279 | 31 | Sulfonamides as selective oestrogen receptorß agonists. |
Bioorg Med Chem Lett 21: 5680-3 (2011) | Pfizer Inc | 2D 3D TSV |
| 21885277 | 34 | Discovery of a highly potent series of TLR7 agonists. |
Bioorg Med Chem Lett 21: 5939-43 (2011) | Pfizer Inc | 2D 3D TSV |
| 21885276 | 46 | Design, synthesis and structure-activity relationship of novel [3.3.1] bicyclic sulfonamide-pyrazoles as potent ?-secretase inhibitors. |
Bioorg Med Chem Lett 21: 5791-4 (2011) | Elan Pharmaceuticals | 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. |
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. |
Eur J Med Chem 46: 5086-98 (2011) | Abbott Healthcare Products BV | 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). |
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. |
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. |
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. |
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 β-lactamase from Acinetobacter baumannii. |
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. |
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. |
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. |
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. |
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. |
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. |
Eur J Med Chem 46: 4808-19 (2011) | Abbott Healthcare Products BV | 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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 5735-8 (2011) | Guru Ghasidas University | 2D 3D TSV |
| 21875114 | 4 | Mitochondrial respiration inhibitors suppress protein translation and hypoxic signaling via the hyperphosphorylation and inactivation of translation initiation factor eIF2? and elongation factor eEF2. |
J Nat Prod 74: 1894-901 (2011) | University of Mississippi | 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). |
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. |
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. |
Bioorg Med Chem 19: 5334-41 (2011) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
| 21873070 | 29 | SAR studies of acidic dual¿-secretase/PPAR¿ modulators. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 5753-6 (2011) | Sejong University | 2D 3D TSV |
| 21872971 | 4 | Arylazolylthioacetanilide. Part 8: Design, synthesis and biological evaluation of novel 2-(2-(2,4-dichlorophenyl)-2H-1,2,4-triazol-3-ylthio)-N-arylacetamides as potent HIV-1 inhibitors. |
Eur J Med Chem 46: 5039-45 (2011) | Shandong University | 2D 3D TSV |
| 21872477 | 43 | Fluorinated cannabinoid CB2 receptor ligands: synthesis and in vitro binding characteristics of 2-oxoquinoline derivatives. |
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. |
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. |
Eur J Med Chem 46: 4846-52 (2011) | Sapienza University of Rome | 2D 3D TSV |
| 21871798 | 39 | Bicyclic heteroaryl inhibitors of stearoyl-CoA desaturase: from systemic to liver-targeting inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Biochemistry 50: 8899-913 (2011) | Whitman College | 2D 3D TSV |
| 21868239 | 15 | Novel macrocyclic C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents. |
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. |
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. |
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. |
Chem Biol 18: 1053-64 (2011) | University of Bern | 2D 3D TSV |
| 21867918 | 4 | Targeting MgrA-Mediated Virulence Regulation in Staphylococcus aureus. |
Chem Biol 18: 1032-41 (2011) | The University of Chicago | 2D 3D TSV |
| 21866961 | 28 | Selective water-soluble gelatinase inhibitor prodrugs. |
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. |
J Med Chem 54: 7030-54 (2011) | Abbott Healthcare Products BV | 2D 3D TSV |
| 21866885 | 71 | Structural determinants of opioid and NOP receptor activity in derivatives of buprenorphine. |
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. |
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. |
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. |
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¿. |
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. |
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. |
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. |
Bioorg Med Chem 19: 5420-31 (2011) | Purdue University | 2D 3D TSV |
| 21862336 | 9 | Synthesis and glycosidase inhibitory profiles of functionalised morpholines and oxazepanes. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 5539-52 (2011) | Takeda Pharmaceutical Co., Ltd | 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. |
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. |
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. |
Eur J Med Chem 46: 4915-23 (2011) | Instituto Universitario de Bio-Org£nica Antonio Gonz£lez (IUBO-AG) | 2D 3D TSV |
| 21855358 | 1 | Inhibition of LuxS by S-ribosylhomocysteine analogues containing a [4-aza]ribose ring. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
ACS Med Chem Lett 2: 597-602 (2011) | TBA | 2D 3D TSV |
| 21840994 | 3 | Mechanistic analysis of trehalose synthase from Mycobacterium smegmatis. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 5093-102 (2011) | University of North Carolina at 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). |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 5562-7 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21831638 | 8 | Sulfonamides as a new scaffold for hypoxia inducible factor pathway inhibitors. |
Bioorg Med Chem Lett 21: 5528-32 (2011) | Emory University School of Medicine | 2D 3D TSV |
| 21831637 | 52 | Structure-based design of new DHFR-based antibacterial agents: 7-aryl-2,4-diaminoquinazolines. |
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. |
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. |
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). |
J Enzyme Inhib Med Chem 27: 533-40 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 21827183 | 32 | Sesterterpenes from the tropical sponge Coscinoderma sp. |
J Nat Prod 74: 1805-11 (2011) | Seoul National University | 2D 3D TSV |
| 21824780 | 71 | Discovery of a novel series of selective HCN1 blockers. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 5301-4 (2011) | NeurAxon Inc | 2D 3D TSV |
| 21813275 | 40 | Indolin-2-one p38a inhibitors II: Lead optimisation. |
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). |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 5610-5 (2011) | Technische Universit£t Darmstadt | 2D 3D TSV |
| 21807507 | 55 | 4-Quinazolinyloxy-diaryl ureas as novel BRAFV600E inhibitors. |
Bioorg Med Chem Lett 21: 5342-6 (2011) | Ambit Biosciences Corporation | 2D 3D TSV |
| 21806016 | 78 | N-imidazolebenzyl-histidine substitution in somatostatin and in its octapeptide analogue modulates receptor selectivity and function. |
J Med Chem 54: 5981-7 (2011) | Salk Institute | 2D 3D TSV |
| 21806011 | 2 | Grassypeptolides F and G, cyanobacterial peptides from Lyngbya majuscula. |
J Nat Prod 74: 1686-91 (2011) | National Cancer Institute-Frederick | 2D 3D TSV |
| 21803585 | 12 | Structure-guided design and synthesis of P1' position 1-phenylcycloalkylamine-derived pentapeptidic BACE1 inhibitors. |
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. |
Bioorg Med Chem Lett 21: 5274-82 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21803462 | 4 | Acyclic nucleoside thiophosphonates as potent inhibitors of HIV and HBV replication. |
Eur J Med Chem 46: 4281-8 (2011) | Universit£s Aix-Marseille I et II | 2D 3D TSV |
| 21803461 | 1 | Design of benzimidazole- and benzoxazole-2-thione derivatives as inhibitors of bacterial hyaluronan lyase. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 5283-8 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21802309 | 27 | Discovery of atrop fixed alkoxy-aminobenzhydrol derivatives: novel, highly potent and orally efficacious squalene synthase inhibitors. |
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. |
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. |
Bioorg Med Chem 19: 5190-8 (2011) | Shandong University | 2D 3D TSV |
| 21802293 | 69 | Pyrazolopyridine inhibitors of B-RafV600E. Part 2: structure-activity relationships. |
Bioorg Med Chem Lett 21: 5533-7 (2011) | ArrayBioPharma | 2D 3D TSV |
| 21802292 | 13 | Strategies to lower the Pgp efflux liability in a series of potent indole azetidine MCHR1 antagonists. |
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. |
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. |
Chem Biol 18: 868-79 (2011) | Harvard Medical School | 2D 3D TSV |
| 21800876 | 11 | Design of HIV-1 protease inhibitors with C3-substituted hexahydrocyclopentafuranyl urethanes as P2-ligands: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. |
J Med Chem 54: 5890-901 (2011) | Purdue University | 2D 3D TSV |
| 21800856 | 50 | Lignan derivatives from Krameria lappacea roots inhibit acute inflammation in vivo and pro-inflammatory mediators in vitro. |
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. |
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. |
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. |
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). |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 5398-402 (2011) | Batman University | 2D 3D TSV |
| 21794960 | 194 | Imidazo[2,1-b]thiazole guanylhydrazones as RSK2 inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 5577-82 (2011) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 21783360 | 52 | Novel and highly potent histamine H3 receptor ligands. Part 2: exploring the cyclohexylamine-based series. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 4868-75 (2011) | INSA Lyon | 2D 3D TSV |
| 21782433 | 2 | Lipid and sulfur substituted prenylcysteine analogs as human Icmt inhibitors. |
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. |
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). |
Bioorg Med Chem Lett 21: 6916-24 (2011) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 21782430 | 26 | N-Heteroaryl glycinamides and glycinamines as potent NPY5 antagonists. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 6063-84 (2011) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 21778065 | 7 | Intramolecular ion-pair prodrugs of zanamivir and guanidino-oseltamivir. |
Bioorg Med Chem 19: 4796-802 (2011) | National Taiwan University | 2D 3D TSV |
| 21778064 | 40 | Inhibition of monoamine oxidase by C5-substituted phthalimide analogues. |
Bioorg Med Chem 19: 4829-40 (2011) | North-West University | 2D 3D TSV |
| 21778063 | 84 | Design of HIV-1 integrase inhibitors targeting the catalytic domain as well as its interaction with LEDGF/p75: a scaffold hopping approach using salicylate and catechol groups. |
Bioorg Med Chem 19: 4935-52 (2011) | Chinese Academy of Sciences | 2D 3D TSV |
| 21778054 | 3 | Phosphopeptides with improved cellular uptake properties as ligands for the polo-box domain of polo-like kinase 1. |
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. |
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. |
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. |
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. |
J Med Chem 54: 5820-35 (2011) | Janssen-Cilag S.A. | 2D 3D TSV |
| 21775152 | 1 | Effects ofß-glucosidase hydrolyzed products of harpagide and harpagoside on cyclooxygenase-2 (COX-2) in vitro. |
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. |
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. |
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. |
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 ß-glucuronidase inhibitory activity of transformed products. |
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. |
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. |
J Enzyme Inhib Med Chem 27: 302-10 (2012) | Shandong University | 2D 3D TSV |
| 21767953 | 13 | Ethyl malonate amides: a diketo acid offspring fragment for HIV integrase inhibition. |
Bioorg Med Chem 19: 5000-5 (2011) | University of Silesia | 2D 3D TSV |
| 21767952 | 42 | Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors. |
Bioorg Med Chem Lett 21: 4762-7 (2011) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 21765967 | 10 | Screening for GPCR Ligands Using Surface Plasmon Resonance. |
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. |
Nat Chem Biol 7: 595-601 (2011) | National Cancer Institute-Frederick | 2D 3D TSV |
| 21764590 | 98 | N-substituted homopiperazine barbiturates as gelatinase inhibitors. |
Bioorg Med Chem 19: 4985-99 (2011) | Trinity College | 2D 3D TSV |
| 21764589 | 2 | Shishicrellastatins, inhibitors of cathepsin B, from the marine sponge Crella (Yvesia) spinulata. |
Bioorg Med Chem 19: 6594-8 (2011) | The University of Tokyo | 2D 3D TSV |
| 21764580 | 51 | Identification of 2-(4-pyridyl)thienopyridinones as GSK-3ß inhibitors. |
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. |
Bioorg Med Chem 19: 4953-70 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21764307 | 108 | Novel imidazo[1,2-a]pyridine based inhibitors of the IGF-1 receptor tyrosine kinase: optimization of the aniline. |
Bioorg Med Chem Lett 21: 4702-4 (2011) | AstraZeneca | 2D 3D TSV |
| 21764306 | 149 | Special ergolines efficiently inhibit the chemokine receptor CXCR3 in blood. |
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). |
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. |
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. |
Bioorg Med Chem 19: 5012-22 (2011) | Nanjing University | 2D 3D TSV |
| 21763147 | 64 | NSAID-derived ?-secretase modulation requires an acidic moiety on the carbazole scaffold. |
Bioorg Med Chem 19: 4903-9 (2011) | Technische Universit£t Darmstadt | 2D 3D TSV |
| 21763134 | 57 | Identification of 2-oxatriazines as highly potent pan-PI3K/mTOR dual inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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). |
Bioorg Med Chem Lett 21: 4753-7 (2011) | University of Akron | 2D 3D TSV |
| 21752643 | 3 | Synthesis and antiglycation potentials of bergenin derivatives. |
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. |
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. |
Bioorg Med Chem Lett 21: 4742-4 (2011) | Sichuan University | 2D 3D TSV |
| 21751815 | 4 | New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds. |
J Med Chem 54: 5694-711 (2011) | Universit£ degli Studi di Siena | 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. |
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 β-glucocerebrosidase. |
Chembiochem 12: 2151-4 (2011) | University of British Columbia | 2D 3D TSV |
| 21745740 | 10 | Synthesis and biological evaluation of piperamide analogues as HDAC inhibitors. |
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. |
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. |
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). |
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. |
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. |
Bioorg Med Chem Lett 21: 4909-12 (2011) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 21742495 | 40 | Pyridine-derived ?-secretase modulators. |
Bioorg Med Chem Lett 21: 4832-5 (2011) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 21742494 | 44 | Structure-activity relationship and docking studies of thiazolidinedione-type compounds with monoamine oxidase B. |
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. |
Bioorg Med Chem Lett 21: 4758-61 (2011) | Pfizer Inc | 2D 3D TSV |
| 21742492 | 1 | Peptoid ligands that bind selectively to phosphoproteins. |
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. |
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. |
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. |
Bioorg Med Chem 19: 4482-98 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21741846 | 76 | Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 4836-43 (2011) | Vitae Pharmaceuticals | 2D 3D TSV |
| 21741237 | 6 | Synthesis of 6-[¹8F]fluoro-PBR28, a novel radiotracer for imaging the TSPO 18 kDa with PET. |
Bioorg Med Chem Lett 21: 4819-22 (2011) | CEA | 2D 3D TSV |
| 21741133 | 10 | Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: a hybrid 2D NMR and docking/QM/MM/MD approach. |
Eur J Med Chem 46: 3976-85 (2011) | University of KwaZulu-Natal | 2D 3D TSV |
| 21740106 | 4 | A screening assay for neuraminidase inhibitors using neuraminidases N1 and N3 from a baculovirus expression system. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 4422-8 (2011) | Merck Research Laboratories | 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. |
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. |
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. |
Bioorg Med Chem Lett 21: 4429-35 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21733699 | 121 | Requirements for mammalian carboxylesterase inhibition by substituted ethane-1,2-diones. |
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. |
Bioorg Med Chem 19: 4437-44 (2011) | Shandong University | 2D 3D TSV |
| 21733693 | 7 | Development of potent B-RafV600E inhibitors containing an arylsulfonamide headgroup. |
Bioorg Med Chem Lett 21: 4436-40 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21733692 | 56 | Azepanone-based inhibitors of human cathepsin S: optimization of selectivity via the P2 substituent. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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). |
J Med Chem 54: 5769-85 (2011) | University of Trieste | 2D 3D TSV |
| 21726077 | 51 | The lipogenesis pathway as a cancer target. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 4577-80 (2011) | Suven Life Sciences Ltd | 2D 3D TSV |
| 21724391 | 26 | Photosynthesis-Inhibiting efficiency of 4-chloro-2-(chlorophenylcarbamoyl)phenyl alkylcarbamates. |
Bioorg Med Chem Lett 21: 4564-7 (2011) | University of Pardubice | 2D 3D TSV |
| 21724305 | 25 | Synthesis and Na+/H+ exchanger inhibitory activity of benzoylguanidine derivatives. |
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. |
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. |
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. |
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. |
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. |
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. |
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). |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 5532-9 (2011) | Shandong University | 2D 3D TSV |
| 21714536 | 25 | Rational design of potent, small, synthetic allosteric inhibitors of thrombin. |
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. |
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. |
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. |
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? |
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. |
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). |
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. |
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. |
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. |
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. |
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). |
J Med Chem 54: 5836-57 (2011) | Amgen Inc | 2D 3D TSV |
| 21705223 | 20 | Phenylimino-10H-anthracen-9-ones as novel antimicrotubule agents-synthesis, antiproliferative activity and inhibition of tubulin polymerization. |
Bioorg Med Chem 19: 4183-91 (2011) | Westphalian Wilhelms-University | 2D 3D TSV |
| 21705219 | 23 | Discovery of imidazo[1,2-b]pyridazines as IKKß inhibitors. Part 3: exploration of effective compounds in arthritis models. |
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. |
Bioorg Med Chem Lett 21: 4633-7 (2011) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 21705115 | 37 | Synthesis and in vitro evaluation of new analogues as inhibitors for phosphodiesterase 10A. |
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. |
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. |
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. |
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. |
J Med Chem 54: 5444-53 (2011) | Universita degli Studi di Siena | 2D 3D TSV |
| 21700466 | 14 | Imidazo[1,2-a]pyridin-3-amines as potential HIV-1 non-nucleoside reverse transcriptase inhibitors. |
Bioorg Med Chem 19: 4227-37 (2011) | CSIR Biosciences | 2D 3D TSV |
| 21700453 | 56 | Optimisation of pharmacokinetic properties to afford an orally bioavailable and selective V1A receptor antagonist. |
Bioorg Med Chem Lett 21: 4622-8 (2011) | MSD | 2D 3D TSV |
| 21700368 | 17 | Synthesis, antiviral activity, cytotoxicity and cellular pharmacology of l-3'-azido-2',3'-dideoxypurine nucleosides. |
Eur J Med Chem 46: 3832-44 (2011) | Veterans Affairs Medical Center | 2D 3D TSV |
| 21700210 | 6 | Identification of a small-molecule inhibitor of DNA topoisomerase II by proteomic profiling. |
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. |
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. |
J Enzyme Inhib Med Chem 27: 365-9 (2012) | Agri Ibrahim Cecen 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. |
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. |
J Med Chem 54: 5349-61 (2011) | University of Vienna | 2D 3D TSV |
| 21699136 | 16 | Selectivity of kinase inhibitor fragments. |
J Med Chem 54: 5131-43 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21696967 | 51 | The discovery of long-acting saligeninß2 adrenergic receptor agonists incorporating hydantoin or uracil rings. |
Bioorg Med Chem 19: 4192-201 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21696964 | 12 | Generation of 'Unnatural Natural Product' library and identification of a small molecule inhibitor of XIAP. |
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. |
Bioorg Med Chem 19: 4338-45 (2011) | Cardiff University | 2D 3D TSV |
| 21696956 | 243 | A novel HDAC inhibitor with a hydroxy-pyrimidine scaffold. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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). |
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. |
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). |
Bioorg Med Chem Lett 21: 4146-9 (2011) | Bristol-Myers Squibb Co. | 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. |
Bioorg Med Chem Lett 21: 4276-80 (2011) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 21689932 | 7 | Structural investigation into the inhibitory mechanisms of indomethacin and its analogues towards human glyoxalase I. |
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. |
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. |
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. |
ACS Med Chem Lett 2: 363-367 (2011) | Calvin College | 2D 3D TSV |
| 21684753 | 8 | Synthesis of novel inhibitors of ?-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking. |
Bioorg Med Chem 19: 4286-94 (2011) | University of Karachi | 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. |
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. |
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. |
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. |
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. |
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. |
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. |
Eur J Med Chem 46: 3909-16 (2011) | Dalian University of Technology | 2D 3D TSV |
| 21683601 | 2 | Synthesis and biological evaluation of novel 5-alkyl-2-arylthio-6-((3,4-dihydroquinolin-1(2H)-yl)methyl)pyrimidin-4(3H)-ones as potent non-nucleoside HIV-1 reverse transcriptase inhibitors. |
Bioorg Med Chem 19: 4366-76 (2011) | Shandong University | 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. |
Eur J Med Chem 46: 3867-76 (2011) | University of Lille | 2D 3D TSV |
| 21682298 | 2 | Discovery of a selective allosteric M1 receptor modulator with suitable development properties based on a quinolizidinone carboxylic acid scaffold. |
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. |
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. |
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. |
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. |
Eur J Med Chem 46: 3630-8 (2011) | Yanbian University | 2D 3D TSV |
| 21679053 | 22 | Acetaldehyde-derived modifications on cytosolic human carbonic anhydrases. |
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. |
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. |
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. |
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. |
J Med Chem 54: 5265-9 (2011) | Universidad Complutense de Madrid | 2D 3D TSV |
| 21671327 | 5 | Triptolide directly inhibits dCTP pyrophosphatase. |
Chembiochem 12: 1767-73 (2011) | Yale University | 2D 3D TSV |
| 21669533 | 26 | Optimisation of a novel series of selective CNS penetrant CB(2) agonists. |
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. |
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). |
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. |
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. |
Bioorg Med Chem Lett 21: 4259-62 (2011) | Gumushane University | 2D 3D TSV |
| 21669521 | 44 | Selective non zinc binding inhibitors of MMP13. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 4363-5 (2011) | Merck & Co. | 2D 3D TSV |
| 21664131 | 5 | Synthesis and evaluation of highly potent GABA(A) receptor antagonists based on gabazine (SR-95531). |
Bioorg Med Chem Lett 21: 4252-4 (2011) | University College London | 2D 3D TSV |
| 21664013 | 8 | Single step synthesis of new fused pyrimidine derivatives and their evaluation as potent Aurora-A kinase inhibitors. |
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. |
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). |
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. |
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. |
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. |
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. |
J Med Chem 54: 4998-5012 (2011) | Takeda Pharmaceutical Co., 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. |
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. |
Bioorg Med Chem Lett 21: 4027-31 (2011) | AstraZeneca | 2D 3D TSV |
| 21650457 | 25 | Backbone cyclic peptide inhibitors of protein kinase B (PKB/Akt). |
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. |
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. |
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. |
J Med Chem 54: 4536-47 (2011) | Pfizer Inc | 2D 3D TSV |
| 21650152 | 4 | The relevance of higher plants in lead compound discovery programs. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3951-6 (2011) | University of Alberta | 2D 3D TSV |
| 21641216 | 28 | Discovery of S1P agonists with a dihydronaphthalene scaffold. |
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. |
Bioorg Med Chem Lett 21: 3871-6 (2011) | AstraZeneca | 2D 3D TSV |
| 21641214 | 20 | Flavonoids as inhibitors of human CD38. |
Bioorg Med Chem Lett 21: 3939-42 (2011) | University of Strasburg | 2D 3D TSV |
| 21641211 | 14 | Discovery of PH-797804, a highly selective and potent inhibitor of p38 MAP kinase. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Nat Prod 74: 1500-2 (2011) | MerLion Pharmaceuticals Pte Ltd | 2D 3D TSV |
| 21639123 | 1 | The use of novel C-methylated spermidine derivatives to investigate the regulation of polyamine metabolism. |
J Med Chem 54: 4611-8 (2011) | University of Eastern Finland | 2D 3D TSV |
| 21636276 | 40 | Pyridazine-derived ?-secretase modulators. |
Bioorg Med Chem Lett 21: 4016-9 (2011) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 21636271 | 67 | Enantioselective binding of second generation pyrrolobenzoxazepinones to the catalytic ternary complex of HIV-1 RT wild-type and L100I and K103N drug resistant mutants. |
Bioorg Med Chem Lett 21: 3935-8 (2011) | 2-Universit£ di Siena | 2D 3D TSV |
| 21636270 | 27 | Structure-based design of thienobenzoxepin inhibitors of PI3-kinase. |
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. |
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. |
J Enzyme Inhib Med Chem 27: 43-50 (2012) | Atatürk 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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3877-80 (2011) | Cephalon Inc | 2D 3D TSV |
| 21627121 | 22 | Irreversible Nek2 kinase inhibitors with cellular activity. |
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. |
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. |
J Med Chem 54: 4806-14 (2011) | University of Rouen | 2D 3D TSV |
| 21623630 | 108 | Synthesis, protein kinase inhibitory potencies, and in vitro antiproliferative activities of meridianin derivatives. |
J Med Chem 54: 4474-89 (2011) | Clermont Universite£ | 2D 3D TSV |
| 21621999 | 33 | Peptidomimetic inhibitors of bacterial peptide deformylase. |
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. |
Bioorg Med Chem Lett 21: 3970-5 (2011) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 21621883 | 18 | Structure-based optimization of click-based histone deacetylase inhibitors. |
Eur J Med Chem 46: 3190-200 (2011) | Nankai University | 2D 3D TSV |
| 21621881 | 30 | Angiotensin-I-converting enzyme inhibitory peptides: Chemical feature based pharmacophore generation. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 4036-40 (2011) | Dana-Farber Cancer Institute Inc | 2D 3D TSV |
| 21621412 | 6 | Triazole-linked reduced amide isosteres: an approach for the fragment-based drug discovery of anti-Alzheimer's BACE1 inhibitors. |
Bioorg Med Chem Lett 21: 3992-6 (2011) | Virginia Tech | 2D 3D TSV |
| 21621410 | 44 | Generation of novel radiolabeled opiates through site-selective iodination. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3856-60 (2011) | Pfizer Inc | 2D 3D TSV |
| 21620698 | 8 | Discovery of novel xanthone derivatives as xanthine oxidase inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 3757-68 (2011) | Universita' di Firenze | 2D 3D TSV |
| 21616665 | 17 | Triazoles as¿-secretase modulators. |
Bioorg Med Chem Lett 21: 4083-7 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21615150 | 14 | Progress in structure based drug design for G protein-coupled receptors. |
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. |
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? |
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. |
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. |
Bioorg Med Chem 19: 3777-86 (2011) | University of Lille | 2D 3D TSV |
| 21612925 | 18 | 3-substitued indoles: one-pot synthesis and evaluation of anticancer and Src kinase inhibitory activities. |
Bioorg Med Chem Lett 21: 3511-4 (2011) | India Institute of Technology and Science | 2D 3D TSV |
| 21612924 | 10 | Design strategies to target crystallographic waters applied to the Hsp90 molecular chaperone. |
Bioorg Med Chem Lett 21: 3557-62 (2011) | Pfizer Inc. | 2D 3D TSV |
| 21612376 | 6 | Carbonic anhydrase I and II inhibition with natural products: caffeine and piperine. |
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. |
J Med Chem 54: 4928-32 (2011) | The University of Texas M.D. 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. |
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. |
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. |
Chem Biol Drug Des 78: 191-8 (2011) | University of California 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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3828-31 (2011) | Abbott Laboratories | 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 lymph |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 4839-46 (2011) | Kyoto University | 2D 3D TSV |
| 21599001 | 6 | Novel flavonoids with antiproliferative activities against breast cancer cells. |
J Med Chem 54: 4339-49 (2011) | University of California Davis | 2D 3D TSV |
| 21596573 | 46 | Inhibitors of histone demethylases. |
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. |
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. |
Bioorg Med Chem Lett 21: 3587-90 (2011) | RIKEN Advanced Science Institute | 2D 3D TSV |
| 21595493 | 6 | Synthesis and antityrosinase activities of alkyl 3,4-dihydroxybenzoates. |
J Agric Food Chem 59: 6645-9 (2011) | Xiamen University | 2D 3D TSV |
| 21594962 | 48 | Isoforms of the heteropteran Nezara viridula ecdysone receptor: protein characterisation, RH5992 insecticide binding and homology modelling. |
Pest Manag Sci 67: 1457-67 (2011) | CSIRO Materials Science and Engineering and CSIRO Food and Nutritional Sciences | 2D 3D TSV |
| 21592794 | 6 | Glucosides with cyclic diarylpolynoid as novel C-aryl glucoside SGLT2 inhibitors. |
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. |
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. |
Bioorg Med Chem Lett 21: 3608-12 (2011) | University of Strasburg | 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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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). |
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. |
Bioorg Med Chem Lett 21: 3596-602 (2011) | Advinus Therapeutics Ltd | 2D 3D TSV |
| 21570853 | 5 | Evaluation of sulfatase-directed quinone methide traps for proteomics. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 3416-24 (2011) | University of Mansoura | 2D 3D TSV |
| 21570308 | 55 | Synthesis and biological evaluation of loxoprofen derivatives. |
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. |
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. |
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. |
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. |
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). |
Bioorg Med Chem Lett 21: 3654-7 (2011) | Universidad Nacional de Colombia | 2D 3D TSV |
| 21568335 | 16 | Synthesis, activity, and structural analysis of novel ?-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. |
J Med Chem 54: 4462-73 (2011) | National Cancer Institute-Frederick | 2D 3D TSV |
| 21568322 | 16 | Discovery and characterization of small molecule inhibitors of the BET family bromodomains. |
J Med Chem 54: 3827-38 (2011) | GlaxoSmithKline | 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. |
J Med Chem 54: 4207-18 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21566738 | 3 | Virtual screening for potential inhibitors of homology modeled Leptospira interrogans MurD ligase. |
J Chem Biol 3: 175-87 (2010) | SVIMS University | 2D 3D TSV |
| 21565500 | 7 | Structure-based lead identification of ATP-competitive MK2 inhibitors. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3774-9 (2011) | Amgen Inc | 2D 3D TSV |
| 21563750 | 45 | N-benzoylated phenoxazines and phenothiazines: synthesis, antiproliferative activity, and inhibition of tubulin polymerization. |
J Med Chem 54: 4247-63 (2011) | Westphalian Wilhelms-University | 2D 3D TSV |
| 21561780 | 20 | Tyrosinase inhibitory activity of a 6-isoprenoid-substituted flavanone isolated from Dalea elegans. |
Bioorg Med Chem 19: 3474-82 (2011) | Catholic University of C£rdoba | 2D 3D TSV |
| 21561771 | 39 | Discovery of novel tetracyclic compounds as anaplastic lymphoma kinase inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
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-¿. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 3451-61 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21550699 | 24 | New 2-thioether-substituted apomorphines as potent and selective dopamine D2 receptor agonists. |
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. |
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. |
Bioorg Med Chem Lett 21: 3237-42 (2011) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 21549597 | 71 | Synthesis and crystallographic analysis of new sulfonamides incorporating NO-donating moieties with potent antiglaucoma action. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Nat Prod 74: 1015-20 (2011) | National Cancer Institute-Frederick | 2D 3D TSV |
| 21538764 | 6 | Identification and characterization of new inhibitors of fungal homoserine kinase. |
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. |
Bioorg Med Chem 19: 3569-78 (2011) | The Institute of Cancer Research | 2D 3D TSV |
| 21536445 | 63 | Synthesis and characterization of selective dopamine D2 receptor ligands using aripiprazole as the lead compound. |
Bioorg Med Chem 19: 3502-11 (2011) | Washington University | 2D 3D TSV |
| 21536438 | 74 | Discovery of a nortropanol derivative as a potent and orally active GPR119 agonist for type 2 diabetes. |
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. |
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. |
Bioorg Med Chem Lett 21: 3297-300 (2011) | Abbott Laboratories | 2D 3D TSV |
| 21536432 | 54 | Non-oxime pyrazole based inhibitors of B-Raf kinase. |
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. |
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. |
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. |
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. |
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. |
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). |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 3274-9 (2011) | India Institute of Technology and Science | 2D 3D TSV |
| 21530277 | 3 | Molecular docking studies and in vitro screening of new dihydropyridine derivatives as human MRP1 inhibitors. |
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. |
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. |
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. |
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). |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 3935-49 (2011) | University of Washington | 2D 3D TSV |
| 21515063 | 60 | Biological evaluation of novel benzisoxazole derivatives as PPARd agonists. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3404-6 (2011) | Pfizer Inc | 2D 3D TSV |
| 21515053 | 58 | New indole amide derivatives as potent CRTH2 receptor antagonists. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3452-6 (2011) | Roche Palo Alto | 2D 3D TSV |
| 21515045 | 2 | Synthesis and bioactivity of new Finasteride conjugate. |
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. |
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. |
Bioorg Med Chem 19: 3156-72 (2011) | The University of Tokyo | 2D 3D TSV |
| 21514827 | 5 | Asymmetric synthesis and biological evaluations of (+)- and (-)-6-dimethoxymethyl-1,4-dihydropyridine-3-carboxylic acid derivatives blocking N-type calcium channels. |
Bioorg Med Chem Lett 21: 3317-9 (2011) | Ajinomoto Pharmaceuticals Co., Ltd | 2D 3D TSV |
| 21514825 | 81 | 3-Oxo-2-piperazinyl acetamides as potent bradykinin B1 receptor antagonists for the treatment of pain and inflammation. |
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. |
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. |
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. |
Eur J Med Chem 46: 2617-29 (2011) | Universit£ di Pisa | 2D 3D TSV |
| 21514152 | 13 | New halogenated phenylcoumarins as tyrosinase inhibitors. |
Bioorg Med Chem Lett 21: 3342-5 (2011) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 21514150 | 26 | Structure-activity relationship studies of novel 3-oxazolidinedione-6-naphthyl-2-pyridinones as potent and orally bioavailable EP3 receptor antagonists. |
Bioorg Med Chem Lett 21: 2806-11 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21514014 | 45 | Thiazolylmethyl ortho-substituted phenyl glucoside library as novel C-aryl glucoside SGLT2 inhibitors. |
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. |
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. |
J Nat Prod 74: 1126-31 (2011) | University of North Carolina at Greensboro | 2D 3D TSV |
| 21513292 | 5 | Archazolid A-15-O-?-D-glucopyranoside and iso-archazolid B: potent V-ATPase inhibitory polyketides from the myxobacteria Cystobacter violaceus and Archangium gephyra. |
J Nat Prod 74: 1100-5 (2011) | Ruprecht-Karls-Universit£t Heidelberg | 2D 3D TSV |
| 21511945 | 7 | Cannabinoid type 1 receptor antagonists modulate transport activity of multidrug resistance-associated proteins MRP1, MRP2, MRP3, and MRP4. |
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). |
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. |
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. |
J Nat Prod 74: 997-1002 (2011) | Sun Yat-sen University | 2D 3D TSV |
| 21510635 | 6 | Estrogenic activity of chemical constituents from Tephrosia candida. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3050-6 (2011) | Genzyme Corp. | 2D 3D TSV |
| 21506603 | 4 | HCV-NS3/4A protease inhibitory iridoid glucosides and dimeric foliamenthoic acid derivatives from Anarrhinum orientale. |
J Nat Prod 74: 943-8 (2011) | Cairo University | 2D 3D TSV |
| 21506597 | 6 | Unexpected binding orientation of bulky-B-ring anti-androgens and implications for future drug targets. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 3109-52 (2011) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 21503265 | 19 | Inhibition of the Hematopoietic Protein Tyrosine Phosphatase by Phenoxyacetic Acids. |
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. |
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. |
J Nat Prod 74: 1009-14 (2011) | Institute of Medicinal Plant Development | 2D 3D TSV |
| 21499541 | 9 | N-3 Hydroxylation of Pyrimidine-2,4-diones Yields Dual Inhibitors of HIV Reverse Transcriptase and Integrase. |
ACS Med Chem Lett 2: 63-67 (2011) | University of Minnesota | 2D 3D TSV |
| 21498080 | 45 | N-Alkenyl and cycloalkyl carbamates as dual acting histamine H3 and H4 receptor ligands. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 3426-35 (2011) | Genentech | 2D 3D TSV |
| 21493077 | 39 | Red-fluorescent argininamide-type NPY Y1 receptor antagonists as pharmacological tools. |
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. |
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. |
Bioorg Med Chem Lett 21: 2958-61 (2011) | AstraZeneca R&D Boston | 2D 3D TSV |
| 21493066 | 39 | Development of tricyclic hydroxy-1H-pyrrolopyridine-trione containing HIV-1 integrase inhibitors. |
Bioorg Med Chem Lett 21: 2986-90 (2011) | National Cancer Institute-Frederick | 2D 3D TSV |
| 21493065 | 5 | Synthesis and evaluation of dual site inhibitors of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 5098-101 (2011) | The University of Utah | 2D 3D TSV |
| 21489787 | 20 | SAR studies of pyridazinone derivatives as novel glucan synthase inhibitors. |
Bioorg Med Chem Lett 21: 2890-3 (2011) | Merck Research Laboratories | 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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3099-102 (2011) | University of Arizona | 2D 3D TSV |
| 21486695 | 11 | Discovery of small molecule human FPR1 receptor antagonists. |
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. |
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. |
J Med Chem 54: 3206-21 (2011) | H. Lundbeck A/S | 2D 3D TSV |
| 21486005 | 3 | Gambogic acid, a natural product inhibitor of Hsp90. |
J Nat Prod 74: 1085-92 (2011) | Oklahoma State University | 2D 3D TSV |
| 21482471 | 28 | Comparative CYP1A1 and CYP1B1 substrate and inhibitor profile of dietary flavonoids. |
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. |
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. |
Bioorg Med Chem Lett 21: 3037-40 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21482446 | 55 | Discovery of new nanomolar peroxisome proliferator-activated receptor κ activators via elaborate ligand-based modeling. |
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. |
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. |
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. |
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. |
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. |
Eur J Med Chem 46: 2453-62 (2011) | Universit£ di Pisa | 2D 3D TSV |
| 21480626 | 23 | Synthesis and biological evaluation of 2,4,5-substituted pyrimidines as a new class of tubulin polymerization inhibitors. |
J Med Chem 54: 3200-5 (2011) | Chinese Academy of Sciences | 2D 3D TSV |
| 21478020 | 7 | Aromatic radiofluorination and biological evaluation of 2-aryl-6-[18F]fluorobenzothiazoles as a potential positron emission tomography imaging probe for ?-amyloid plaques. |
Bioorg Med Chem 19: 2980-90 (2011) | Seoul National University Bundang Hospital | 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. |
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. |
J Med Chem 54: 2823-38 (2011) | Shandong University | 2D 3D TSV |
| 21476569 | 69 | Neonicotinoid insecticides: oxidative stress in planta and metallo-oxidase inhibition. |
J Agric Food Chem 59: 4860-7 (2011) | University of California | 2D 3D TSV |
| 21476495 | 31 | Potent macrocyclic inhibitors of insulin-regulated aminopeptidase (IRAP) by olefin ring-closing metathesis. |
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. |
J Med Chem 54: 3669-73 (2011) | University of Catania | 2D 3D TSV |
| 21474311 | 2 | Identification of chemicals to inhibit the kinase activity of leucine-rich repeat kinase 2 (LRRK2), a Parkinson's disease-associated protein. |
Bioorg Med Chem Lett 21: 2953-7 (2011) | Inje University | 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. |
J Med Chem 54: 3436-44 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21470866 | 21 | Synthesis and structure-activity relationship of tricyclic carboxylic acids as novel anti-histamines. |
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. |
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. |
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. |
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. |
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. |
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). |
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. |
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). |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 3163-7 (2011) | MSD | 2D 3D TSV |
| 21458260 | 71 | Triamino pyrimidines and pyridines as histamine H(4) receptor modulators. |
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. |
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. |
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). |
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. |
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. |
J Biol Chem 286: 18756-65 (2011) | Takeda Pharmaceutical Co., Ltd | 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. |
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. |
Eur J Med Chem 46: 2243-51 (2011) | Universidad Aut£noma del Estado de Morelos | 2D 3D TSV |
| 21453995 | 20 | Synthesis, evaluation and metabolic studies of radiotracers containing a 4-(4-[18F]-fluorobenzyl)piperidin-1-yl moiety for the PET imaging of NR2B NMDA receptors. |
Eur J Med Chem 46: 2295-309 (2011) | I2BM | 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. |
J Med Chem 54: 3081-5 (2011) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 21452831 | 7 | Studies of O,O-dimethyl ?-(2,4-dichlorophenoxyacetoxy)ethylphosphonate (HW02) as a new herbicide. 1. Synthesis and herbicidal activity of HW02 and analogues as novel inhibitors of pyruvate dehydrogenase complex. |
J Agric Food Chem 59: 4801-13 (2011) | Central China Normal University | 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. |
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). |
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. |
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. |
J Med Chem 54: 2952-60 (2011) | Pfizer Inc | 2D 3D TSV |
| 21449597 | 26 | Developing potent human uric acid transporter 1 (hURAT1) inhibitors. |
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). |
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. |
Drug Metab Dispos 39: 1188-95 (2011) | Amgen Inc | 2D 3D TSV |
| 21447641 | 6 | A novel family of insect-selective peptide neurotoxins targeting insect large-conductance calcium-activated K+ channels isolated from the venom of the theraphosid spider Eucratoscelus constrictus. |
Mol Pharmacol 80: 1-13 (2011) | University of Technology Sydney | 2D 3D TSV |
| 21446745 | 29 | Design and synthesis of novel N-hydroxy-dihydronaphthyridinones as potent and orally bioavailable HIV-1 integrase inhibitors. |
J Med Chem 54: 3393-417 (2011) | Pfizer 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. |
J Med Chem 54: 2924-32 (2011) | Wayne State University | 2D 3D TSV |
| 21446702 | 10 | Crystal structure of tert-butyldimethylsilyl-spiroaminooxathioledioxide-thymine (TSAO-T) in complex with HIV-1 reverse transcriptase (RT) redefines the elastic limits of the non-nucleoside inhibitor-binding pocket. |
J Med Chem 54: 2727-37 (2011) | Rutgers University | 2D 3D TSV |
| 21446649 | 78 | Discovery of highly potent and neurotensin receptor 2 selective neurotensin mimetics. |
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. |
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. |
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. |
J Med Chem 54: 2714-26 (2011) | University of Michigan | 2D 3D TSV |
| 21443219 | 4 | Selenophene-containing inhibitors of type IIA bacterial topoisomerases. |
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. |
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. |
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. |
J Med Chem 54: 2933-43 (2011) | National Cancer Institute-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. |
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. |
Bioorg Med Chem Lett 21: 2207-11 (2011) | AstraZeneca | 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. |
Bioorg Med Chem Lett 21: 2192-7 (2011) | Washington University | 2D 3D TSV |
| 21441024 | 74 | Discovery of the first non-ATP competitive IGF-1R kinase inhibitors: advantages in comparison with competitive inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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 γc-containing cytokine receptors. |
Chem Biol 18: 314-23 (2011) | University of Luxembourg | 2D 3D TSV |
| 21438710 | 18 | Oxamic acid analogues as LDH-C4-specific competitive inhibitors. |
J Enzyme Inhib Med Chem 26: 579-86 (2011) | Instituto Politécnico Nacional | 2D 3D TSV |
| 21438612 | 4 | Amidine-oximes: reactivators for organophosphate exposure. |
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. |
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. |
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]pyr |
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. |
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). |
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. |
Bioorg Med Chem 19: 2633-40 (2011) | Ewha Womans University | 2D 3D TSV |
| 21435888 | 7 | The synthesis and evaluation of indolylureas as PKCa inhibitors. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 2428-42 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21429753 | 4 | Synthesis and anti-melanogenic activity of hydroxyphenyl benzyl ether analogues. |
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. |
Bioorg Med Chem 19: 2269-81 (2011) | University of Waterloo | 2D 3D TSV |
| 21429747 | 10 | Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease. |
Bioorg Med Chem Lett 21: 2274-7 (2011) | University of KwaZulu-Natal | 2D 3D TSV |
| 21429746 | 88 | The discovery and synthesis of potent zwitterionic inhibitors of renin. |
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. |
Bioorg Med Chem Lett 21: 2255-8 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21429632 | 43 | Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 2864-77 (2011) | University of Montpellier | 2D 3D TSV |
| 21425851 | 14 | Exploration of the activity of 7-pyrrolidino-8-methoxyisothiazoloquinolones against methicillin-resistant Staphylococcus aureus (MRSA). |
J Med Chem 54: 3268-82 (2011) | Achillion Pharmaceuticals, Inc. | 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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 2478-84 (2011) | Indian Institute of Technology | 2D 3D TSV |
| 21420867 | 68 | Using small molecules to target protein phosphatases. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 2354-8 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21420859 | 7 | Alkyl piperidine and piperazine hydroxamic acids as HDAC inhibitors. |
Bioorg Med Chem Lett 21: 2305-8 (2011) | Menarini Ricerche Pomezia | 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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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). |
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. |
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. |
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. |
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. |
J Med Chem 54: 2994-3010 (2011) | University of Lille | 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. |
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. |
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. |
Bioorg Med Chem Lett 21: 2345-50 (2011) | GlaxoSmithKline | 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. |
Bioorg Med Chem Lett 21: 2365-71 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21414780 | 100 | Novel pyrrolidine melanin-concentrating hormone receptor 1 antagonists with reduced hERG inhibition. |
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. |
Bioorg Med Chem Lett 21: 2394-9 (2011) | Amgen Inc | 2D 3D TSV |
| 21414777 | 8 | Probing the inhibitor selectivity pocket of human 20?-hydroxysteroid dehydrogenase (AKR1C1) with X-ray crystallography and site-directed mutagenesis. |
Bioorg Med Chem Lett 21: 2564-7 (2011) | Monash University (Parkville Campus) | 2D 3D TSV |
| 21413808 | 170 | Synopsis of some recent tactical application of bioisosteres in drug design. |
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. |
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. |
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. |
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. |
J Med Chem 54: 2320-30 (2011) | Vertex Pharmaceuticals Inc | 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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 2155-64 (2011) | Sapienza University of Rome | 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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 2497-501 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21398124 | 62 | Discovery of non-glucoside SGLT2 inhibitors. |
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). |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 2441-4 (2011) | Seoul National University | 2D 3D TSV |
| 21397370 | 2 | SPF32629A and SPF32629B: enantioselective synthesis, determination of absolute configuration, cytotoxicity and antibacterial evaluation. |
Eur J Med Chem 46: 1803-12 (2011) | GVK Biosciences Private Limited | 2D 3D TSV |
| 21396815 | 20 | Identification and optimization of tetrahydro-2H-3-benzazepin-2-ones as squalene synthase inhibitors. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 2480-3 (2011) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 21392991 | 23 | 6-Benzoyl-3-hydroxypyrimidine-2,4-diones as dual inhibitors of HIV reverse transcriptase and integrase. |
Bioorg Med Chem Lett 21: 2400-2 (2011) | University of Minnesota | 2D 3D TSV |
| 21392990 | 10 | Design and synthesis of several small-size HTLV-I protease inhibitors with different hydrophilicity profiles. |
Bioorg Med Chem Lett 21: 2425-9 (2011) | Kyoto Pharmaceutical University | 2D 3D TSV |
| 21392988 | 87 | Identification of potent, noncovalent fatty acid amide hydrolase (FAAH) inhibitors. |
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. |
Bioorg Med Chem Lett 21: 2533-6 (2011) | Anacor Pharmaceuticals Inc | 2D 3D TSV |
| 21392984 | 50 | Discovery and SAR of spirochromane Akt inhibitors. |
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. |
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. |
Eur J Med Chem 46: 1835-40 (2011) | University of Lille | 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). |
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. |
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. |
J Med Chem 54: 2341-50 (2011) | Vertex Pharmaceuticals Inc | 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). |
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. |
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. |
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. |
Eur J Med Chem 46: 1648-55 (2011) | King Saud University | 2D 3D TSV |
| 21388717 | 1 | Glycoglycerolipid analogues inhibit PKC translocation to the plasma membrane and downstream signaling pathways in PMA-treated fibroblasts and human glioblastoma cells, U87MG. |
Eur J Med Chem 46: 1827-34 (2011) | University of Milan | 2D 3D TSV |
| 21388142 | 57 | Highly potent 5-aminotetrahydropyrazolopyridines: enantioselective dopamine D3 receptor binding, functional selectivity, and analysis of receptor-ligand interactions. |
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. |
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. |
J Med Chem 54: 2022-8 (2011) | Tufts University Sackler School of Graduate Biomedical Sciences | 2D 3D TSV |
| 21385662 | 10 | Synthesis, biological evaluation and molecular modeling studies of quinolonyl diketo acid derivatives: new structural insight into the HIV-1 integrase inhibition. |
Eur J Med Chem 46: 1749-56 (2011) | Facult£s Universitaires Notre-Dame de la Paix (FUNDP) | 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. |
J Med Chem 54: 2307-19 (2011) | Saarland University | 2D 3D TSV |
| 21382719 | 29 | Design, synthesis and biological activity of thiazolidine-4-carboxylic acid derivatives as novel influenza neuraminidase inhibitors. |
Bioorg Med Chem 19: 2342-8 (2011) | Shandong 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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 2183-95 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21381754 | 15 | Synthesis and biological evaluation of novel 5-benzylidenethiazolidine-2,4-dione derivatives for the treatment of inflammatory diseases. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 1969-73 (2011) | Birla Institute of Technology | 2D 3D TSV |
| 21377877 | 17 | Sargachromanols as inhibitors of Na+/K+ ATPase and isocitrate lyase. |
Bioorg Med Chem Lett 21: 1958-61 (2011) | Seoul National University | 2D 3D TSV |
| 21377875 | 19 | Synthesis and pharmacological evaluation of novel benzoylazole-based PPARa/κ activators. |
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. |
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. |
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. |
Eur J Med Chem 46: 1582-92 (2011) | University of Paris | 2D 3D TSV |
| 21377770 | 26 | Pharmacophore-based virtual screening and Bayesian model for the identification of potential human leukotriene A4 hydrolase inhibitors. |
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. |
Eur J Med Chem 46: 1622-9 (2011) | University of Lille | 2D 3D TSV |
| 21377369 | 60 | Purification and inhibition studies with anions and sulfonamides of ana-carbonic anhydrase from the Antarctic seal Leptonychotes weddellii. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 1962-4 (2011) | Chiba University | 2D 3D TSV |
| 21376587 | 15 | Hybrid compounds as new Bcr/Abl inhibitors. |
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. |
Bioorg Med Chem Lett 21: 1991-6 (2011) | Euroscreen SA | 2D 3D TSV |
| 21376583 | 232 | Discovery of triazine-benzimidazoles as selective inhibitors of mTOR. |
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. |
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 inhibitors |
J Med Chem 54: 2255-65 (2011) | Roche Palo Alto LLC | 2D 3D TSV |
| 21371895 | 165 | Synthesis, biological evaluation and 3D-QSAR studies of 3-keto salicylic acid chalcones and related amides as novel HIV-1 integrase inhibitors. |
Bioorg Med Chem 19: 2030-45 (2011) | University of Tennessee Health Science Center | 2D 3D TSV |
| 21371789 | 4 | In silico and in vitro validation of serine hydroxymethyltransferase as a chemotherapeutic target of the antifolate drug pemetrexed. |
Eur J Med Chem 46: 1616-21 (2011) | Sapienza University of Rome | 2D 3D TSV |
| 21370884 | 80 | New glucocerebrosidase inhibitors by exploration of chemical diversity of N-substituted aminocyclitols using click chemistry and in situ screening. |
J Med Chem 54: 2069-79 (2011) | Spanish National Research Council (Consejo Superior de Investigaciones Cienti£?ficas) | 2D 3D TSV |
| 21367494 | 16 | Design and synthesis of potent and selective aldose reductase inhibitors based on pyridylthiadiazine scaffold. |
Eur J Med Chem 46: 1536-44 (2011) | Beijing Institute of Technology | 2D 3D TSV |
| 21367493 | 32 | Syntheses and characterization of novel oxoisoaporphine derivatives as dual inhibitors for cholinesterases and amyloid beta aggregation. |
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. |
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. |
J Med Chem 54: 1626-39 (2011) | The 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. |
J Med Chem 54: 1655-66 (2011) | University of Pennsylvania | 2D 3D TSV |
| 21366296 | 128 | Indolylarylsulfones as HIV-1 non-nucleoside reverse transcriptase inhibitors: new cyclic substituents at indole-2-carboxamide. |
J Med Chem 54: 1587-98 (2011) | Sapienza University of Rome | 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. |
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. |
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. |
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. |
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. |
Eur J Med Chem 46: 1892-6 (2011) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 21355602 | 56 | Zwitterionic CRTh2 antagonists. |
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). |
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. |
Bioorg Med Chem Lett 21: 2011-6 (2011) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 21354793 | 100 | Pyridinesulfonylureas and pyridinesulfonamides as selective bombesin receptor subtype-3 (BRS-3) agonists. |
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. |
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. |
Eur J Med Chem 46: 1949-63 (2011) | University of Sydney | 2D 3D TSV |
| 21353784 | 35 | Development of sulfonamide AKT PH domain inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem 19: 1881-94 (2011) | Takeda Pharmaceutical Co., 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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 2106-12 (2011) | University of Lille | 2D 3D TSV |
| 21353545 | 39 | Structure-activity relationship study of 2,4-diaminothiazoles as Cdk5/p25 kinase inhibitors. |
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. |
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. |
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. |
Eur J Med Chem 46: 1483-98 (2011) | Ludwig-Maximilians-University Munich | 2D 3D TSV |
| 21351746 | 116 | Aminothiazolomorphinans with mixed¿ andµ opioid activity. |
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. |
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. |
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. |
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. |
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. |
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). |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 2116-20 (2011) | Washington University | 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. |
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. |
J Med Chem 54: 1555-64 (2011) | Washington University | 2D 3D TSV |
| 21348462 | 64 | Triazole ligands reveal distinct molecular features that induce histamine H4 receptor affinity and subtly govern H4/H3 subtype selectivity. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
J Med Chem 54: 1640-54 (2011) | University of Southern California | 2D 3D TSV |
| 21341671 | 32 | Unique neonicotinoid binding conformations conferring selective receptor interactions. |
J Agric Food Chem 59: 2825-8 (2011) | Gifu University | 2D 3D TSV |
| 21338114 | 27 | Opioid receptor probes derived from cycloaddition of the hallucinogen natural product salvinorin A. |
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. |
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. |
Bioorg Med Chem 19: 1999-2008 (2011) | Chinese Academy of Sciences | 2D 3D TSV |
| 21334901 | 6 | Antiviral activity of seed extract from Citrus bergamia towards human retroviruses. |
Bioorg Med Chem 19: 2084-9 (2011) | University of Rome Tor Vergata | 2D 3D TSV |
| 21334896 | 18 | Discovery of histone deacetylase 8 selective inhibitors. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 2030-3 (2011) | PanThera Biopharma, LLC | 2D 3D TSV |
| 21334205 | 30 | Novel analogues of ketamine and phencyclidine as NMDA receptor antagonists. |
Bioorg Med Chem Lett 21: 2059-63 (2011) | GlaxoSmithKline Medicines Research Centre | 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. |
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. |
Bioorg Med Chem Lett 21: 1601-6 (2011) | Shionogi & Co., Ltd | 2D 3D TSV |
| 21334118 | 1 | Synthesis and biological evaluation of indazole derivatives. |
Eur J Med Chem 46: 1439-47 (2011) | UNED | 2D 3D TSV |
| 21333534 | 16 | Development of 2,4-diaminopyrimidine derivatives as novel SNSR4 antagonists. |
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. |
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. |
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. |
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. |
J Med Chem 54: 1682-92 (2011) | Griffith University | 2D 3D TSV |
| 21330134 | 4 | Discovery of new inhibitor for PDE3 by virtual screening. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
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. |
Bioorg Med Chem Lett 21: 1626-9 (2011) | University of Oslo | 2D 3D TSV |
| 21324566 | 16 | Structure-activity relationship of 2,4,5-trioxoimidazolidines as inhibitors of thymidine phosphorylase. |
Eur J Med Chem 46: 1165-71 (2011) | University of Manchester | 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. |
J Med Chem 54: 1565-75 (2011) | University of Salerno | 2D 3D TSV |
| 21322614 | 59 | Cell-permeable and plasma-stable peptidomimetic inhibitors of the postsynaptic density-95/N-methyl-D-aspartate receptor interaction. |
J Med Chem 54: 1333-46 (2011) | University of Copenhagen | 2D 3D TSV |
| 21322567 | 18 | Cysteine mapping in conformationally distinct kinase nucleotide binding sites: application to the design of selective covalent inhibitors. |
J Med Chem 54: 1347-55 (2011) | University of Strasburg | 2D 3D TSV |
| 21322566 | 61 | Discovery of 9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one (Torin2) as a potent, selective, and orally available mammalian target of rapamycin (mTOR) inhibitor for treatment of cancer. |
J Med Chem 54: 1473-80 (2011) | Dana-Farber Cancer Institute Inc | 2D 3D TSV |
| 21320783 | 10 | Towards more specific O6-methylguanine-DNA methyltransferase (MGMT) inactivators. |
Bioorg Med Chem 19: 1658-65 (2011) | Trinity College | 2D 3D TSV |
| 21320781 | 9 | hNK2 receptor antagonists. The use of intramolecular hydrogen bonding to increase solubility and membrane permeability. |
Bioorg Med Chem Lett 21: 1807-9 (2011) | Menarini Ricerche | 2D 3D TSV |
| 21320777 | 375 | Synthesis and evaluation of [(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexanes and 4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]piperidines as DPP-4 inhibitors. |
Bioorg Med Chem Lett 21: 1880-6 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21320776 | 40 | Synthesis and SAR of sulfoxide substituted carboxyquinolines as NK3 receptor antagonists. |
Bioorg Med Chem Lett 21: 1896-9 (2011) | AstraZeneca Pharmaceuticals | 2D 3D TSV |
| 21319802 | 51 | Non-nucleoside inhibitors of human adenosine kinase: synthesis, molecular modeling, and biological studies. |
J Med Chem 54: 1401-20 (2011) | Universita` di Siena | 2D 3D TSV |
| 21319801 | 54 | Synthesis of 2-(substituted phenyl)-3,5,5-trimethylmorpholine analogues and their effects on monoamine uptake, nicotinic acetylcholine receptor function, and behavioral effects of nicotine. |
J Med Chem 54: 1441-8 (2011) | Research Triangle Institute | 2D 3D TSV |
| 21319773 | 8 | Natural compound cudraflavone B shows promising anti-inflammatory properties in vitro. |
J Nat Prod 74: 614-9 (2011) | University of Veterinary and Pharmaceutical Sciences Brno | 2D 3D TSV |
| 21319751 | 41 | Design, synthesis, and biological activity of potent and orally available G protein-coupled receptor 40 agonists. |
J Med Chem 54: 1365-78 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21318094 | 25 | [I]-Celecoxib Analogues as SPECT Tracers of Cyclooxygenase-2 in Inflammation. |
ACS Med Chem Lett 2: 160-164 (2011) | TBA | 2D 3D TSV |
| 21316976 | 62 | 17,20-lyase inhibitors. Part 4: design, synthesis and structure-activity relationships of naphthylmethylimidazole derivatives as novel 17,20-lyase inhibitors. |
Bioorg Med Chem 19: 1751-70 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21316975 | 23 | 2-aminomethylphenylamine as a novel scaffold for factor Xa inhibitor. |
Bioorg Med Chem 19: 1623-42 (2011) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 21316964 | 108 | Discovery of orally available tetrahydroquinoline-based glucocorticoid receptor agonists. |
Bioorg Med Chem Lett 21: 1697-700 (2011) | Ligand Pharmaceuticals | 2D 3D TSV |
| 21316962 | 31 | Discovery of potent and orally bioavailable heterocycle-based cannabinoid CB1 receptor agonists. |
Bioorg Med Chem Lett 21: 1748-53 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21316961 | 2 | Phellinstatin, a new inhibitor of enoyl-ACP reductase produced by the medicinal fungus Phellinus linteus. |
Bioorg Med Chem Lett 21: 1716-8 (2011) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
| 21316960 | 2 | 5-oxo-15-HETE: total synthesis and bioactivity. |
Bioorg Med Chem Lett 21: 1857-60 (2011) | Florida Institute of Technology | 2D 3D TSV |
| 21316958 | 6 | Maintaining potent HTLV-I protease inhibition without the P3-cap moiety in small tetrapeptidic inhibitors. |
Bioorg Med Chem Lett 21: 1832-7 (2011) | Kyoto Pharmaceutical University | 2D 3D TSV |
| 21316817 | 14 | Synthesis, human monoamine oxidase inhibitory activity and molecular docking studies of 3-heteroarylcoumarin derivatives. |
Eur J Med Chem 46: 1147-52 (2011) | Universita degli Studi di Cagliari | 2D 3D TSV |
| 21316248 | 8 | Computer- and structure-based lead design for epigenetic targets. |
Bioorg Med Chem 19: 3605-15 (2011) | Martin-Luther University of Halle-Wittenberg | 2D 3D TSV |
| 21316237 | 12 | Synthesis and evaluation of 1,5-diaryl-substituted tetrazoles as novel selective cyclooxygenase-2 (COX-2) inhibitors. |
Bioorg Med Chem Lett 21: 1823-6 (2011) | University of Alberta | 2D 3D TSV |
| 21316234 | 133 | Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor. |
Bioorg Med Chem Lett 21: 1838-43 (2011) | Elan Pharmaceuticals, Inc. | 2D 3D TSV |
| 21316233 | 33 | Novel dihydrothieno[2,3-e]indazole derivatives as I&x3ba;B kinase inhibitors. |
Bioorg Med Chem Lett 21: 1758-62 (2011) | Kyorin Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21316232 | 41 | 4-aminopyrimidine-5-carbaldehyde oximes as potent VEGFR-2 inhibitors. Part II. |
Bioorg Med Chem Lett 21: 1815-8 (2011) | Johnson & Johnson Pharmaceutical Research & Development LLC | 2D 3D TSV |
| 21316229 | 12 | Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799. |
Bioorg Med Chem Lett 21: 1767-72 (2011) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
| 21316228 | 28 | Discovery of a potent, orally bioavailable pyrimidine VLA-4 antagonist effective in a sheep asthma model. |
Bioorg Med Chem Lett 21: 1741-3 (2011) | Elan Pharmaceuticals, Inc. | 2D 3D TSV |
| 21316226 | 12 | Pyridyl amides as potent inhibitors of T-type calcium channels. |
Bioorg Med Chem Lett 21: 1692-6 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21316225 | 23 | Oxindole derivatives as inhibitors of TAK1 kinase. |
Bioorg Med Chem Lett 21: 1724-7 (2011) | Myrexis Inc | 2D 3D TSV |
| 21316223 | 35 | The synthesis and structure-activity relationship of pyridazinones as glucan synthase inhibitors. |
Bioorg Med Chem Lett 21: 1819-22 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21316222 | 27 | Thienopyrrole acetic acids as antagonists of the CRTH2 receptor. |
Bioorg Med Chem Lett 21: 1861-4 (2011) | Abbott Laboratories | 2D 3D TSV |
| 21316221 | 62 | Synthesis and SAR of novel quinazolines as potent and brain-penetrant c-jun N-terminal kinase (JNK) inhibitors. |
Bioorg Med Chem Lett 21: 1719-23 (2011) | The Scripps Research Institute | 2D 3D TSV |
| 21316220 | 34 | Design and synthesis of novel CCR2 antagonists: investigation of non-aryl/heteroaryl binding motifs. |
Bioorg Med Chem Lett 21: 1827-31 (2011) | Pfizer Inc | 2D 3D TSV |
| 21316219 | 81 | Optimisation of ITK inhibitors through successive iterative design cycles. |
Bioorg Med Chem Lett 21: 1852-6 (2011) | Nycomed GmbH | 2D 3D TSV |
| 21316218 | 5 | Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent. |
Bioorg Med Chem Lett 21: 1795-801 (2011) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
| 21315612 | 17 | Synthesis and biological activity of splitomicin analogs targeted at human NAD(+)-dependent histone deacetylases (sirtuins). |
Bioorg Med Chem 19: 3669-77 (2011) | Ernst-Moritz-Arndt University Greifswald | 2D 3D TSV |
| 21315588 | 57 | Discovery of benzimidazole pyrrolidinyl amides as prolylcarboxypeptidase inhibitors. |
Bioorg Med Chem Lett 21: 1299-305 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21315587 | 35 | Chroman and tetrahydroquinoline ureas as potent TRPV1 antagonists. |
Bioorg Med Chem Lett 21: 1338-41 (2011) | Abbott Laboratories | 2D 3D TSV |
| 21315585 | 40 | Synthesis and SAR of centrally active mGlu5 positive allosteric modulators based on an aryl acetylenic bicyclic lactam scaffold. |
Bioorg Med Chem Lett 21: 1350-3 (2011) | Vanderbilt Medical Center | 2D 3D TSV |
| 21315584 | 74 | Discovery of ((1S,3R)-1-isopropyl-3-((3S,4S)-3-methoxy-tetrahydro-2H-pyran-4-ylamino)cyclopentyl)(4-(5-(trifluoromethyl)pyridazin-3-yl)piperazin-1-yl)methanone, PF-4254196, a CCR2 antagonist with an improved cardiovascular profile. |
Bioorg Med Chem Lett 21: 2626-30 (2011) | Pfizer Inc | 2D 3D TSV |
| 21314246 | 16 | Synthesis and biological evaluation of 2,5-disubstituted 1,3,4-oxadiazole derivatives with both COX and LOX inhibitory activity. |
J Enzyme Inhib Med Chem 26: 767-76 (2011) | Jamia Hamdard University | 2D 3D TSV |
| 21314129 | 76 | Design, synthesis, and biological evaluation of novel carbohydrate-based sulfamates as carbonic anhydrase inhibitors. |
J Med Chem 54: 1481-9 (2011) | Griffith University | 2D 3D TSV |
| 21314128 | 91 | Isoindolinone inhibitors of the murine double minute 2 (MDM2)-p53 protein-protein interaction: structure-activity studies leading to improved potency. |
J Med Chem 54: 1233-43 (2011) | Newcastle University | 2D 3D TSV |
| 21310613 | 18 | Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer. |
Bioorg Med Chem Lett 21: 1315-9 (2011) | Takeda California Inc | 2D 3D TSV |
| 21310612 | 99 | Discovery of N-methyl-1-(1-phenylcyclohexyl)ethanamine, a novel triple serotonin, norepinephrine and dopamine reuptake inhibitor. |
Bioorg Med Chem Lett 21: 1434-7 (2011) | Sunovion Pharmaceuticals Inc | 2D 3D TSV |
| 21310611 | 16 | Design and evaluation of a 2-(2,3,6-trifluorophenyl)acetamide derivative as an agonist of the GPR119 receptor. |
Bioorg Med Chem Lett 21: 1306-9 (2011) | Pfizer Inc | 2D 3D TSV |
| 21310610 | 63 | Discovery of muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist (MABA) dual pharmacology molecules. |
Bioorg Med Chem Lett 21: 1354-8 (2011) | Theravance, Inc. | 2D 3D TSV |
| 21310609 | 108 | Discovery of N-methyl-1-(1-phenylcyclohexyl)methanamine, a novel triple serotonin, norepinephrine, and dopamine reuptake inhibitor. |
Bioorg Med Chem Lett 21: 1438-41 (2011) | Sunovion Pharmaceuticals Inc | 2D 3D TSV |
| 21310608 | 55 | A novel class of dual mPGES-1/5-LO inhibitors based on thea-naphthyl pirinixic acid scaffold. |
Bioorg Med Chem Lett 21: 1329-33 (2011) | Goethe-University Frankfurt | 2D 3D TSV |
| 21306906 | 6 | After the grape rush: sirtuins as epigenetic drug targets in neurodegenerative disorders. |
Bioorg Med Chem 19: 3616-24 (2011) | CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences | 2D 3D TSV |
| 21306905 | 14 | Simplification of the tetracyclic SIRT1-selective inhibitor MC2141: coumarin- and pyrimidine-based SIRT1/2 inhibitors with different selectivity profile. |
Bioorg Med Chem 19: 3659-68 (2011) | Sapienza University of Rome | 2D 3D TSV |
| 21306898 | 13 | Synthesis and anti-migrative evaluation of moverastin derivatives. |
Bioorg Med Chem Lett 21: 1385-9 (2011) | Keio University | 2D 3D TSV |
| 21306896 | 19 | Investigation of a novel molecular descriptor for the lead optimization of 4-aminoquinazolines as vascular endothelial growth factor receptor-2 inhibitors: application for quantitative structure-activity relationship analysis in lead optimization. |
Bioorg Med Chem Lett 21: 1371-5 (2011) | Chaminade University of Honolulu | 2D 3D TSV |
| 21306895 | 46 | Discovery ofß-aminoacyl containing thiazolidine derivatives as potent and selective dipeptidyl peptidase IV inhibitors. |
Bioorg Med Chem Lett 21: 1366-70 (2011) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 21306168 | 36 | Incorporation of a bioactive reverse-turn heterocycle into a peptide template using solid-phase synthesis to probe melanocortin receptor selectivity and ligand conformations by 2D 1H NMR. |
J Med Chem 54: 1379-90 (2011) | University of Florida | 2D 3D TSV |
| 21306167 | 26 | Discovery of novel and potent orally active calcium-sensing receptor antagonists that stimulate pulselike parathyroid hormone secretion: synthesis and structure-activity relationships of tetrahydropyrazolopyrimidine derivatives. |
J Med Chem 54: 1430-40 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21306129 | 2 | Inhibitors of the oncogenic transcription factor AP-1 from Podocarpus latifolius. |
J Nat Prod 74: 374-7 (2011) | National Cancer Institute-Frederick | 2D 3D TSV |
| 21300721 | 90 | Simulation of multiple ion channel block provides improved early prediction of compounds' clinical torsadogenic risk. |
Cardiovasc Res 91: 53-61 (2011) | University of Oxford | 2D 3D TSV |
| 21300547 | 64 | (R)-/(S)-10-camphorsulfonyl-substituted aromatic/heterocyclic sulfonamides selectively inhibit mitochondrial over cytosolic carbonic anhydrases. |
Bioorg Med Chem Lett 21: 1334-7 (2011) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 21300546 | 129 | The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis. |
Bioorg Med Chem Lett 21: 1376-81 (2011) | AstraZeneca | 2D 3D TSV |
| 21300545 | 35 | 3,5-diarylazoles as novel and selective inhibitors of protein kinase D. |
Bioorg Med Chem Lett 21: 1447-51 (2011) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 21300544 | 19 | Synthesis of 3-phenylpyrazolopyrimidine-1,2,3-triazole conjugates and evaluation of their Src kinase inhibitory and anticancer activities. |
Bioorg Med Chem Lett 21: 1342-6 (2011) | Institute of Technology and Science | 2D 3D TSV |
| 21300543 | 3 | Anti-tumor pyrimidinylpiperazines bind to the prosurvival Bcl-2 protein family member Bcl-XL. |
Bioorg Med Chem Lett 21: 1325-8 (2011) | University of the Pacific | 2D 3D TSV |
| 21299452 | 7 | Steroidal 5a-reductase inhibitors using 4-androstenedione as substrate. |
J Enzyme Inhib Med Chem 26: 712-9 (2011) | Metropolitan University-Xochimilco | 2D 3D TSV |
| 21299227 | 25 | Structure-activity relationships in nucleotide oligomerization domain 1 (Nod1) agonistic¿-glutamyldiaminopimelic acid derivatives. |
J Med Chem 54: 1490-510 (2011) | University of Kansas | 2D 3D TSV |
| 21296466 | 20 | Design, synthesis and biological activity of pyrazolo[1,5-a]pyrimidin-7(4H)-ones as novel Kv7/KCNQ potassium channel activators. |
Eur J Med Chem 46: 934-43 (2011) | Hebei Medical University | 2D 3D TSV |
| 21295979 | 91 | Trisubstituted ureas as potent and selective mPGES-1 inhibitors. |
Bioorg Med Chem Lett 21: 1488-92 (2011) | Merck Frosst Center for Therapeutic Research | 2D 3D TSV |
| 21295978 | 22 | Design and synthesis of substituted N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamides as positive allosteric modulators of the metabotropic glutamate receptor subtype 5. |
Bioorg Med Chem Lett 21: 2650-4 (2011) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
| 21295891 | 4 | Synthesis of 9-substituted derivatives of berberine as anti-HIV agents. |
Eur J Med Chem 46: 1045-9 (2011) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
| 21295890 | 8 | a-D-mannose derivatives as models designed for selective inhibition of Golgia-mannosidase II. |
Eur J Med Chem 46: 944-52 (2011) | Slovak Academy of Sciences | 2D 3D TSV |
| 21295889 | 6 | Synthesis and structure-activity relationship of N-(2-arylethyl) isoquinoline derivatives as human scavenger receptor CD36 antagonists. |
Eur J Med Chem 46: 1066-73 (2011) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
| 21295887 | 34 | Design, synthesis and evaluation of 3-methylene-substituted indolinones as antimalarials. |
Eur J Med Chem 46: 927-33 (2011) | University of Lisbon | 2D 3D TSV |
| 21295478 | 81 | Discovery of INCB10820/PF-4178903, a potent, selective, and orally bioavailable dual CCR2 and CCR5 antagonist. |
Bioorg Med Chem Lett 21: 1442-6 (2011) | Incyte Corporation | 2D 3D TSV |
| 21295477 | 24 | Structure-activity relationship studies of sphingosine-1-phosphate receptor agonists with N-cinnamyl-ß-alanine moiety. |
Bioorg Med Chem Lett 21: 1390-3 (2011) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21295475 | 21 | Discovery and evaluation of pyrazolo[1,5-a]pyrimidines as neuropeptide Y1 receptor antagonists. |
Bioorg Med Chem Lett 21: 2641-5 (2011) | Pfizer Inc | 2D 3D TSV |
| 21295471 | 4 | A new structural alert for benzimidazoles: 2,6-dimethylphenyl substituents increase mutagenic potential and time-dependent CYP3A4 inhibition risk. |
Bioorg Med Chem Lett 21: 1422-4 (2011) | Global Discovery Chemistry | 2D 3D TSV |
| 21295470 | 27 | Design of novel CXCR4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication. |
Bioorg Med Chem Lett 21: 1414-8 (2011) | Genzyme Corp. | 2D 3D TSV |
| 21295469 | 37 | 6-amino-4-(pyrimidin-4-yl)pyridones: novel glycogen synthase kinase-3ß inhibitors. |
Bioorg Med Chem Lett 21: 1429-33 (2011) | Pfizer Inc | 2D 3D TSV |
| 21295468 | 52 | Discovery of novel positive allosteric modulators of the metabotropic glutamate receptor 5 (mGlu5). |
Bioorg Med Chem Lett 21: 1402-6 (2011) | AstraZeneca Pharmaceuticals | 2D 3D TSV |
| 21295467 | 22 | Design, synthesis and SAR of a series of 1,3,5-trisubstituted benzenes as thrombin inhibitors. |
Bioorg Med Chem Lett 21: 1536-40 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21295466 | 21 | P3 optimization of functional potency, in vivo efficacy and oral bioavailability in 3-aminopyrazinone thrombin inhibitors bearing non-charged groups at the P1 position. |
Bioorg Med Chem Lett 21: 1532-5 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21294569 | 8 | Potent agonists of the protease activated receptor 2 (PAR2). |
J Med Chem 54: 1308-13 (2011) | University of Arizona | 2D 3D TSV |
| 21292493 | 23 | Amino-benzosuberone: a novel warhead for selective inhibition of human aminopeptidase-N/CD13. |
Bioorg Med Chem 19: 1434-49 (2011) | Laboratoire de Chimie Organique et Bioorganique, FRE3252, ENSCMu, F-68093 Mulhouse Cedex, France. | 2D 3D TSV |
| 21292483 | 67 | Identification of a new series of non-peptidic NK3 receptor antagonists. |
Bioorg Med Chem Lett 21: 1498-501 (2011) | H. Lundbeck A/S | 2D 3D TSV |
| 21292481 | 4 | Synthesis of N-alkylated noeurostegines and evaluation of their potential as treatment for Gaucher's disease. |
Bioorg Med Chem Lett 21: 1519-22 (2011) | Aarhus University | 2D 3D TSV |
| 21289076 | 2 | Reevaluation of the microsomal metabolism of montelukast: major contribution by CYP2C8 at clinically relevant concentrations. |
Drug Metab Dispos 39: 904-11 (2011) | University of Helsinki | 2D 3D TSV |
| 21289073 | 8 | Metabolism and disposition of [14C]brivanib alaninate after oral administration to rats, monkeys, and humans. |
Drug Metab Dispos 39: 891-903 (2011) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 21288892 | 8 | Structures of human Golgi-resident glutaminyl cyclase and its complexes with inhibitors reveal a large loop movement upon inhibitor binding. |
J Biol Chem 286: 12439-49 (2011) | Academia Sinica | 2D 3D TSV |
| 21288726 | 7 | Structure-activity relations on [1-(3,5-difluoro-4-hydroxyphenyl)-1H-pyrrol-3-yl]phenylmethanone. The effect of methoxy substitution on aldose reductase inhibitory activity and selectivity. |
Bioorg Med Chem 19: 1426-33 (2011) | Aristotle University of Thessaloniki | 2D 3D TSV |
| 21288717 | 131 | Scaffold oriented synthesis. Part 4: design, synthesis and biological evaluation of novel 5-substituted indazoles as potent and selective kinase inhibitors employing heterocycle forming and multicomponent reactions. |
Bioorg Med Chem Lett 21: 1480-3 (2011) | Abbott Laboratories | 2D 3D TSV |
| 21287991 | 43 | Design, synthesis, pharmacological evaluation, and structure-activity study of novel endomorphin analogues with multiple structural modifications. |
J Med Chem 54: 1462-72 (2011) | Hungarian Academy of Sciences | 2D 3D TSV |
| 21286238 | 9 | Discovery of New Human A(2A) Adenosine Receptor Agonists: Design, Synthesis, and Binding Mode of Truncated 2-Hexynyl-4'-thioadenosine. |
ACS Med Chem Lett 9: 516-520 (2010) | Ewha Womans University | 2D 3D TSV |
| 21282059 | 48 | Kinetic and docking studies of phenol-based inhibitors of carbonic anhydrase isoforms I, II, IX and XII evidence a new binding mode within the enzyme active site. |
Bioorg Med Chem 19: 1381-9 (2011) | University of Calgary | 2D 3D TSV |
| 21282056 | 8 | Enhancement of pancreatic lipase inhibitory activity of curcumin by radiolytic transformation. |
Bioorg Med Chem Lett 21: 1512-4 (2011) | Daegu Haany University | 2D 3D TSV |
| 21282055 | 30 | Pyrrolo[1,2-f]triazines as JAK2 inhibitors: achieving potency and selectivity for JAK2 over JAK3. |
Bioorg Med Chem Lett 21: 1425-8 (2011) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 21282054 | 178 | Scaffold oriented synthesis. Part 3: design, synthesis and biological evaluation of novel 5-substituted indazoles as potent and selective kinase inhibitors employing [2+3] cycloadditions. |
Bioorg Med Chem Lett 21: 1476-9 (2011) | Abbott Laboratories | 2D 3D TSV |
| 21280651 | 62 | Evolution of potent and stable placental-growth-factor-1-targeting CovX-bodies from phage display peptide discovery. |
J Med Chem 54: 1256-65 (2011) | Pfizer Inc | 2D 3D TSV |
| 21280624 | 4 | N-cyclic bay-substituted perylene G-quadruplex ligands have selective antiproliferative effects on cancer cells and induce telomere damage. |
J Med Chem 54: 1140-56 (2011) | Sapienza University of Rome | 2D 3D TSV |
| 21280602 | 2 | Biotin ergopeptide probes for dopamine receptors. |
J Med Chem 54: 1080-90 (2011) | University of Barcelona | 2D 3D TSV |
| 21280601 | 18 | Ethanesulfohydroxamic acid ester prodrugs of nonsteroidal anti-inflammatory drugs (NSAIDs): synthesis, nitric oxide and nitroxyl release, cyclooxygenase inhibition, anti-inflammatory, and ulcerogenicity index studies. |
J Med Chem 54: 1356-64 (2011) | University of Alberta | 2D 3D TSV |
| 21277783 | 20 | Acridone alkaloids as potent inhibitors of cathepsin V. |
Bioorg Med Chem 19: 1477-81 (2011) | Universidade Federal de S£o Carlos | 2D 3D TSV |
| 21277782 | 36 | Synthesis and SAR of 3-arylsulfonyl-pyrazolo[1,5-a]pyrimidines as potent serotonin 5-HT6 receptor antagonists. |
Bioorg Med Chem 19: 1482-91 (2011) | Chemical Diversity Research Institute | 2D 3D TSV |
| 21277656 | 43 | A QSAR study using MTD method and Dragon descriptors for a series of selective ligands ofa2C adrenoceptor. |
Eur J Med Chem 46: 877-84 (2011) | Timisoara of the Romanian Academy | 2D 3D TSV |
| 21277205 | 26 | Discovery of substituted phenyl urea derivatives as novel long-actingß2-adrenoreceptor agonists. |
Bioorg Med Chem Lett 21: 1545-8 (2011) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 21277204 | 16 | Serendipitous discovery of a new class of agonists for the melanocortin 1 and 4 receptors and a new class of cyclophanes. |
Bioorg Med Chem Lett 21: 1459-63 (2011) | Novo Nordisk | 2D 3D TSV |
| 21277203 | 24 | Discovery of substituted 3-(phenylamino)benzoic acids as potent and selective inhibitors of type 5 17ß-hydroxysteroid dehydrogenase (AKR1C3). |
Bioorg Med Chem Lett 21: 1464-8 (2011) | University of Pennsylvania | 2D 3D TSV |
| 21277201 | 35 | Synthesis of cell-permeable stapled peptide dual inhibitors of the p53-Mdm2/Mdmx interactions via photoinduced cycloaddition. |
Bioorg Med Chem Lett 21: 1472-5 (2011) | State University of New York | 2D 3D TSV |
| 21277199 | 29 | Exploring subtype selectivity and metabolic stability of a novel series of ligands for the benzodiazepine binding site of the GABAA receptor. |
Bioorg Med Chem Lett 21: 1523-6 (2011) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 21277198 | 71 | II. SAR studies of pyridyl-piperazinyl-piperidine derivatives as CXCR3 chemokine antagonists. |
Bioorg Med Chem Lett 21: 1527-31 (2011) | Ligand Pharmaceuticals | 2D 3D TSV |
| 21275407 | 1 | Tripeptide motifs in biology: targets for peptidomimetic design. |
J Med Chem 54: 1111-25 (2011) | CSIRO Materials Science and Engineering | 2D 3D TSV |
| 21275403 | 4 | Synthesis and evaluation of 11C-labeled imidazo[2,1-b]benzothiazoles (IBTs) as PET tracers for imaging ?-amyloid plaques in Alzheimer's disease. |
J Med Chem 54: 949-56 (2011) | Technische Universit£t M£nchen | 2D 3D TSV |
| 21275386 | 13 | Flavonoids from eight tropical plant species that inhibit the multidrug resistance transporter ABCG2. |
J Nat Prod 74: 262-6 (2011) | National Cancer Institute-Frederick | 2D 3D TSV |
| 21275368 | 2 | Reaction of the molybdenum- and copper-containing carbon monoxide dehydrogenase from Oligotropha carboxydovorans with quinones. |
Biochemistry 50: 1910-6 (2011) | University of California Riverside | 2D 3D TSV |
| 21275367 | 16 | Development and evaluation of endothelin-A receptor (radio)ligands for positron emission tomography. |
J Med Chem 54: 939-48 (2011) | University Hospital Mu£nster | 2D 3D TSV |
| 21273074 | 10 | Discovery of dual binding site acetylcholinesterase inhibitors identified by pharmacophore modeling and sequential virtual screening techniques. |
Bioorg Med Chem Lett 21: 1105-12 (2011) | National Institute of Pharmaceutical Education and Research (NIPER) | 2D 3D TSV |
| 21273071 | 73 | Aromatic ring functionalization of benzolactam derivatives: new potent dopamine D3 receptor ligands. |
Bioorg Med Chem Lett 21: 2670-4 (2011) | University of Santiago de Compostela | 2D 3D TSV |
| 21273069 | 1 | 6''-Azido-6''-deoxy-UDP-N-acetylglucosamine as a glycosyltransferase substrate. |
Bioorg Med Chem Lett 21: 1199-201 (2011) | University of British Columbia | 2D 3D TSV |
| 21273068 | 2 | Identification and initial SAR of silybin: an Hsp90 inhibitor. |
Bioorg Med Chem Lett 21: 2659-64 (2011) | The University of Kansas | 2D 3D TSV |
| 21273067 | 46 | Design and synthesis of potent Gram-negative specific LpxC inhibitors. |
Bioorg Med Chem Lett 21: 1155-61 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21273066 | 83 | Isosteric replacement of the Z-enone with haloethyl ketone and E-enone in a resorcylic acid lactone series and biological evaluation. |
Bioorg Med Chem Lett 21: 1167-70 (2011) | National University of Ireland | 2D 3D TSV |
| 21273063 | 100 | Design of potent and selective GPR119 agonists for type II diabetes. |
Bioorg Med Chem Lett 21: 2665-9 (2011) | Merck & Co. | 2D 3D TSV |
| 21272964 | 24 | Virtual screening studies on HIV-1 reverse transcriptase inhibitors to design potent leads. |
Eur J Med Chem 46: 851-9 (2011) | GVK Biosciences Private Limited | 2D 3D TSV |
| 21271718 | 6 | Development of non-peptide ligands of growth factor receptor-bound protein 2-SRC homology 2 domain using molecular modeling and NMR spectroscopy. |
J Med Chem 54: 1096-100 (2011) | Universidad Complutense de Madrid | 2D 3D TSV |
| 21270126 | 3 | Combined X-ray, NMR, and kinetic analyses reveal uncommon binding characteristics of the hepatitis C virus NS3-NS4A protease inhibitor BI 201335. |
J Biol Chem 286: 11434-43 (2011) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
| 21269836 | 27 | Indol-2-yl ethanones as novel indoleamine 2,3-dioxygenase (IDO) inhibitors. |
Bioorg Med Chem 19: 1550-61 (2011) | University of Namur | 2D 3D TSV |
| 21269829 | 12 | Identification of small molecular inhibitors for Ero1p by structure-based virtual screening. |
Bioorg Med Chem Lett 21: 1118-21 (2011) | East China University of Science and Technology | 2D 3D TSV |
| 21269827 | 29 | Design, synthesis, and in vivo characterization of a novel series of tetralin amino imidazoles as ?-secretase inhibitors: discovery of PF-3084014. |
Bioorg Med Chem Lett 21: 2637-40 (2011) | Pfizer Inc. | 2D 3D TSV |
| 21269826 | 39 | Quinazolines with intra-molecular hydrogen bonding scaffold (iMHBS) as PI3K/mTOR dual inhibitors. |
Bioorg Med Chem Lett 21: 1270-4 (2011) | Pfizer Inc | 2D 3D TSV |
| 21269825 | 50 | Diamide amino-imidazoles: a novel series of ?-secretase inhibitors for the treatment of Alzheimer's disease. |
Bioorg Med Chem Lett 21: 2631-6 (2011) | Pfizer Inc. | 2D 3D TSV |
| 21269824 | 112 | Optimization of a novel class of benzimidazole-based farnesoid X receptor (FXR) agonists to improve physicochemical and ADME properties. |
Bioorg Med Chem Lett 21: 1134-40 (2011) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 21265542 | 2 | A chemotype that inhibits three unrelated pathogenic targets: the botulinum neurotoxin serotype A light chain, P. falciparum malaria, and the Ebola filovirus. |
J Med Chem 54: 1157-69 (2011) | University of Belgrade | 2D 3D TSV |
| 21261296 | 6 | Bioactive compounds from the fern Lepisorus contortus. |
J Nat Prod 74: 129-36 (2011) | Yunnan Normal University | 2D 3D TSV |
| 21257309 | 98 | Discovery of a potent series of non-steroidal nona-trifluoromethyl carbinol glucocorticoid receptor agonists with reduced lipophilicity. |
Bioorg Med Chem Lett 21: 1126-33 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21257308 | 28 | High concentration electrophysiology-based fragment screen: discovery of novel acid-sensing ion channel 3 (ASIC3) inhibitors. |
Bioorg Med Chem Lett 21: 2646-9 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21256757 | 16 | Benzyl benzoates: New phlorizin analogs as mushroom tyrosinase inhibitors. |
Bioorg Med Chem 19: 1167-71 (2011) | Sun Yat-sen University | 2D 3D TSV |
| 21256748 | 8 | Furoxan nitric oxide donor coupled chrysin derivatives: synthesis and vasculoprotection. |
Bioorg Med Chem Lett 21: 1222-6 (2011) | Central South University | 2D 3D TSV |
| 21256034 | 58 | Synthesis of 6,14-epoxymorphinan derivatives and their pharmacologies. |
Bioorg Med Chem 19: 1205-21 (2011) | Kitasato University | 2D 3D TSV |
| 21256013 | 8 | Chemical and biological explorations of the electrophilic reactivity of the bioactive marine natural product halenaquinone with biomimetic nucleophiles. |
Bioorg Med Chem Lett 21: 1261-4 (2011) | University of Auckland | 2D 3D TSV |
| 21256009 | 16 | Discovery of new anti-depressants from structurally novel 5-HT3 receptor antagonists: design, synthesis and pharmacological evaluation of 3-ethoxyquinoxalin-2-carboxamides. |
Bioorg Med Chem Lett 21: 1253-6 (2011) | Birla Institute of Technology | 2D 3D TSV |
| 21256008 | 44 | Spirodiketopiperazine-based CCR5 antagonist: discovery of an antiretroviral drug candidate. |
Bioorg Med Chem Lett 21: 1141-5 (2011) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21256006 | 11 | Structure and property based design, synthesis and biological evaluation of¿-lactam based HDAC inhibitors. |
Bioorg Med Chem Lett 21: 1218-21 (2011) | Yonsei University | 2D 3D TSV |
| 21256005 | 51 | Conformationally constrained farnesoid X receptor (FXR) agonists: heteroaryl replacements of the naphthalene. |
Bioorg Med Chem Lett 21: 1206-13 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21251841 | 90 | A newß-carbonic anhydrase from Brucella suis, its cloning, characterization, and inhibition with sulfonamides and sulfamates, leading to impaired pathogen growth. |
Bioorg Med Chem 19: 1172-8 (2011) | University of Montpellier | 2D 3D TSV |
| 21251828 | 44 | Optimisation of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. |
Bioorg Med Chem Lett 21: 1084-8 (2011) | MSD | 2D 3D TSV |
| 21251827 | 60 | A unique and rapid approach toward the efficient development of novel protein tyrosine phosphatase (PTP) inhibitors based on 'clicked' pseudo-glycopeptides. |
Bioorg Med Chem Lett 21: 1092-6 (2011) | East China University of Science and Technology | 2D 3D TSV |
| 21251825 | 91 | Orally bioavailable imidazoazepanes as calcitonin gene-related peptide (CGRP) receptor antagonists: discovery of MK-2918. |
Bioorg Med Chem Lett 21: 2683-6 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21251824 | 24 | Potent and selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors with in vivo efficacy. |
Bioorg Med Chem Lett 21: 1176-80 (2011) | OSI Pharmaceuticals Inc | 2D 3D TSV |
| 21251822 | 31 | Non-oxime inhibitors of B-Raf(V600E) kinase. |
Bioorg Med Chem Lett 21: 1243-7 (2011) | Array BioPharma, 3200 Walnut Street, Boulder, CO 80301, USA. | 2D 3D TSV |
| 21251821 | 8 | Analysis ofß-amino alcohols as inhibitors of the potential anti-tubercular target N-acetyltransferase. |
Bioorg Med Chem Lett 21: 1185-90 (2011) | University of Oxford | 2D 3D TSV |
| 21250822 | 16 | Synthesis and biological evaluation of novel N,N'-bis-methylenedioxybenzyl-alkylenediamines as bivalent anti-Alzheimer disease ligands. |
J Enzyme Inhib Med Chem 26: 706-11 (2011) | Sun Yat-sen University | 2D 3D TSV |
| 21247762 | 13 | Synthesis, modification, and evaluation of (R)-de-O-methyllasiodiplodin and analogs as nonsteroidal antagonists of mineralocorticoid receptor. |
Bioorg Med Chem Lett 21: 1171-5 (2011) | Chinese Academy of Sciences | 2D 3D TSV |
| 21247167 | 57 | Discovery, synthesis, and structure-activity relationship development of a series of N-(4-acetamido)phenylpicolinamides as positive allosteric modulators of metabotropic glutamate receptor 4 (mGlu(4)) with CNS exposure in rats. |
J Med Chem 54: 1106-10 (2011) | Vanderbilt University Medical Center | 2D 3D TSV |
| 21247164 | 37 | Probes for narcotic receptor mediated phenomena. 41. Unusual inverseµ-agonists and potentµ-opioid antagonists by modification of the N-substituent in enantiomeric 5-(3-hydroxyphenyl)morphans. |
J Med Chem 54: 957-69 (2011) | National Institute on Drug Abuse | 2D 3D TSV |
| 21243039 | 92 | Identification of Purine-Scaffold Small-Molecule Inhibitors of Stat3 Activation by QSAR Studies. |
ACS Med Chem Lett 2: 79-84 (2011) | TBA | 2D 3D TSV |
| 21241056 | 6 | Screening multicomponent reactions for X-linked inhibitor of apoptosis-baculoviral inhibitor of apoptosis protein repeats domain binder. |
J Med Chem 54: 890-900 (2012) | University of Pittsburgh | 2D 3D TSV |
| 21237663 | 38 | Identification of curcumin derivatives as human glyoxalase I inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies. |
Bioorg Med Chem 19: 1189-96 (2011) | Sun Yat-sen University | 2D 3D TSV |
| 21237643 | 80 | Selective antagonists of mouse trace amine-associated receptor 1 (mTAAR1): discovery of EPPTB (RO5212773). |
Bioorg Med Chem Lett 21: 1227-31 (2011) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 21237642 | 24 | Synthesis and galectin-binding activities of mercaptododecyl glycosides containing a terminalß-galactosyl group. |
Bioorg Med Chem Lett 21: 1265-9 (2011) | National Institute of Advanced Industrial Science and Technology (AIST) | 2D 3D TSV |
| 21236687 | 41 | Aminopyridinecarboxamide-based inhaled IKK-2 inhibitors for asthma and COPD: Structure-activity relationship. |
Bioorg Med Chem 19: 1242-55 (2011) | Pfizer Inc | 2D 3D TSV |
| 21236668 | 15 | Enediol mimics as inhibitors of the D-arabinose 5-phosphate isomerase (KdsD) from Francisella tularensis. |
Bioorg Med Chem Lett 21: 2679-82 (2011) | University of Michigan | 2D 3D TSV |
| 21236667 | 16 | Multitargeted drugs discovery: balancing anti-amyloid and anticholinesterase capacity in a single chemical entity. |
Bioorg Med Chem Lett 21: 2655-8 (2011) | Department of Pharmaceutical Sciences-Alma Mater Studiorum-Bologna University | 2D 3D TSV |
| 21236666 | 32 | Structure-activity studies of a novel series of isoxazole-3-carboxamide derivatives as TRPV1 antagonists. |
Bioorg Med Chem Lett 21: 892-8 (2011) | Department of Chemistry, MSD, Newhouse, Lanarkshire, UK. ronnie.palin@gmail.com | 2D 3D TSV |
| 21236521 | 58 | Preparation and in vitro screening of symmetrical bis-isoquinolinium cholinesterase inhibitors bearing various connecting linkage--implications for early Myasthenia gravis treatment. |
Eur J Med Chem 46: 811-8 (2011) | University of Defence | 2D 3D TSV |
| 21235243 | 35 | Synthesis and pharmacological activities of 6-glycine substituted 14-phenylpropoxymorphinans, a novel class of opioids with high opioid receptor affinities and antinociceptive potencies. |
J Med Chem 54: 980-8 (2011) | University of Innsbruck | 2D 3D TSV |
| 21235241 | 17 | ATP-binding site of bacterial enzymes as a target for antibacterial drug design. |
J Med Chem 54: 915-29 (2011) | University of Ljubljana | 2D 3D TSV |
| 21235240 | 24 | 3-Thiomorpholin-8-oxo-8H-acenaphtho[1,2-b]pyrrole-9-carbonitrile (S1) based molecules as potent, dual inhibitors of B-cell lymphoma 2 (Bcl-2) and myeloid cell leukemia sequence 1 (Mcl-1): structure-based design and structure-activity relationship studies. |
J Med Chem 54: 1101-5 (2011) | Dalian University of Technology | 2D 3D TSV |
| 21232965 | 5 | Pharmacophore models based studies on the affinity and selectivity toward 5-HT1A with reference to ?1-adrenergic receptors among arylpiperazine derivatives of phenytoin. |
Bioorg Med Chem 19: 1349-60 (2011) | Jagiellonian University Medical College | 2D 3D TSV |
| 21232964 | 50 | Probing the mid-gorge of cholinesterases with spacer-modified bivalent quinazolinimines leads to highly potent and selective butyrylcholinesterase inhibitors. |
Bioorg Med Chem 19: 1222-35 (2011) | Queen's University Belfast | 2D 3D TSV |
| 21232956 | 10 | Difluoroethylamines as an amide isostere in inhibitors of cathepsin K. |
Bioorg Med Chem Lett 21: 920-3 (2011) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 21232954 | 75 | Influence of pKa on the biotransformation of indene H1-antihistamines by CYP2D6. |
Bioorg Med Chem Lett 21: 947-51 (2011) | Neurocrine Biosciences Inc | 2D 3D TSV |
| 21232953 | 29 | New positive allosteric modulators of the metabotropic glutamate receptor 2 (mGluR2): identification and synthesis of N-propyl-8-chloro-6-substituted isoquinolones. |
Bioorg Med Chem Lett 21: 971-6 (2011) | Janssen-Cilag S.A. | 2D 3D TSV |
| 21232950 | 19 | Discovery of imidazo[1,2-b]pyridazines as IKKß inhibitors. Part 2: improvement of potency in vitro and in vivo. |
Bioorg Med Chem Lett 21: 904-8 (2011) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 21229983 | 19 | Discovery and biological characterization of (2R,4S)-1'-acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide as a new potent and selective neurokinin 1 (NK1) receptor antagonist clinical candidate. |
J Med Chem 54: 1071-9 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21229979 | 17 | Analogues ofs receptor ligand 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28) with added polar functionality and reduced lipophilicity for potential use as positron emission tomography radiotracers. |
J Med Chem 54: 1022-32 (2011) | Universita` degli Studi di Bari Aldo Moro | 2D 3D TSV |
| 21229977 | 6 | In vivo trypanosomicidal activity of imidazole- or pyrazole-based benzo[g]phthalazine derivatives against acute and chronic phases of Chagas disease. |
J Med Chem 54: 970-9 (2011) | Universidad de Granada | 2D 3D TSV |
| 21227704 | 7 | Design and synthesis of caffeoyl-anilides as portmanteau inhibitors of HIV-1 integrase and CCR5. |
Bioorg Med Chem 19: 1256-63 (2011) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
| 21227703 | 3 | Synthesis and biological activity of optically active NCL-1, a lysine-specific demethylase 1 selective inhibitor. |
Bioorg Med Chem 19: 3702-8 (2011) | Nagoya City University | 2D 3D TSV |
| 21227702 | 9 | Synthesis and serotonin transporter activity of 1,3-bis(aryl)-2-nitro-1-propenes as a new class of anticancer agents. |
Bioorg Med Chem 19: 1328-48 (2011) | Trinity College | 2D 3D TSV |
| 21227690 | 68 | 1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors: separation of desired cellular activity from undesired tissue accumulation through optimization of basic nitrogen pka. |
Bioorg Med Chem Lett 21: 932-5 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21227550 | 14 | HIV-1 integrase strand-transfer inhibitors: design, synthesis and molecular modeling investigation. |
Eur J Med Chem 46: 756-64 (2011) | University of Messina | 2D 3D TSV |
| 21226494 | 10 | X-ray crystal structure and binding mode analysis of human S-adenosylhomocysteine hydrolase complexed with novel mechanism-based inhibitors, haloneplanocin A analogues. |
J Med Chem 54: 930-8 (2011) | Ewha Womans University | 2D 3D TSV |
| 21226489 | 2 | Prenylated flavanones with anti-tyrosinase activity from Dalea boliviana. |
J Nat Prod 74: 158-62 (2011) | Universidad Nacional de Co£?rdoba | 2D 3D TSV |
| 21222511 | 23 | Design, synthesis and SAR study of hydroxychalcone inhibitors of human ß-secretase (BACE1). |
J Enzyme Inhib Med Chem 26: 643-8 (2011) | Shanghai Institute of Materia Medica, Chinese Academy of Sciences | 2D 3D TSV |
| 21218817 | 52 | Discovery of a 3-pyridylacetic acid derivative (TAK-100) as a potent, selective and orally active dipeptidyl peptidase IV (DPP-4) inhibitor. |
J Med Chem 54: 831-50 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21218783 | 117 | Identification of diaryl ether-based ligands for estrogen-related receptora as potential antidiabetic agents. |
J Med Chem 54: 788-808 (2012) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 21216604 | 33 | Design, synthesis, and in vitro characterization of novel hybrid peptidomimetic inhibitors of STAT3 protein. |
Bioorg Med Chem 19: 1823-38 (2011) | University of Toronto | 2D 3D TSV |
| 21216595 | 38 | DNA-dependent protein kinase (DNA-PK) inhibitors: structure-activity relationships for O-alkoxyphenylchromen-4-one probes of the ATP-binding domain. |
Bioorg Med Chem Lett 21: 966-70 (2011) | Newcastle University | 2D 3D TSV |
| 21216504 | 19 | Opioid bifunctional ligands from morphine and the opioid pharmacophore Dmt-Tic. |
Eur J Med Chem 46: 799-803 (2011) | University of Cagliari | 2D 3D TSV |
| 21216151 | 66 | Preparation and evaluation of trisubstituted pyrimidines as phosphatidylinositol 3-kinase inhibitors. 3-Hydroxyphenol analogues and bioisosteric replacements. |
Bioorg Med Chem 19: 836-51 (2011) | The Institute of Cancer Research | 2D 3D TSV |
| 21216150 | 16 | Inhibition of secreted phospholipases A2 by 2-oxoamides based ona-amino acids: Synthesis, in vitro evaluation and molecular docking calculations. |
Bioorg Med Chem 19: 735-43 (2011) | University of Athens | 2D 3D TSV |
| 21216144 | 13 | (+)-Arisugacin A--computational evidence of a dual binding site covalent inhibitor of acetylcholinesterase. |
Bioorg Med Chem Lett 21: 2687-91 (2011) | Alchemical Research, LLC | 2D 3D TSV |
| 21216141 | 2 | Synthesis and structure-analgesic activity relationships of a novel series of monospirocyclopiperazinium salts (MSPZ). |
Bioorg Med Chem Lett 21: 940-3 (2011) | Peking University | 2D 3D TSV |
| 21215643 | 20 | Microwave-assisted synthesis of quinoline, isoquinoline, quinoxaline and quinazoline derivatives as CB2 receptor agonists. |
Bioorg Med Chem 19: 939-50 (2011) | University of Eastern Finland | 2D 3D TSV |
| 21215642 | 10 | Mono-oxime bisquaternary acetylcholinesterase reactivators with prop-1,3-diyl linkage-Preparation, in vitro screening and molecular docking. |
Bioorg Med Chem 19: 754-62 (2011) | University of Defence | 2D 3D TSV |
| 21215640 | 21 | Effect of structurally constrained oxime-ether linker on PPAR subtype selectivity: Discovery of a novel and potent series of PPAR-pan agonists. |
Bioorg Med Chem 19: 771-82 (2011) | Zydus Research Centre | 2D 3D TSV |
| 21215625 | 40 | Structure-based parallel medicinal chemistry approach to improve metabolic stability of benzopyran COX-2 inhibitors. |
Bioorg Med Chem Lett 21: 993-6 (2011) | Pfizer Inc | 2D 3D TSV |
| 21215624 | 96 | Naphthalene/quinoline amides and sulfonylureas as potent and selective antagonists of the EP4 receptor. |
Bioorg Med Chem Lett 21: 1041-6 (2011) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 21215619 | 114 | Acylideneoxoindoles: a new class of reversible inhibitors of human transglutaminase 2. |
Bioorg Med Chem Lett 21: 2692-6 (2011) | Stanford University | 2D 3D TSV |
| 21214253 | 2 | Platensimycin and platencin congeners from Streptomyces platensis. |
J Nat Prod 74: 329-40 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21214226 | 42 | Natural and semisynthetic mammea-type isoprenylated dihydroxycoumarins uncouple cellular respiration. |
J Nat Prod 74: 240-8 (2011) | University of Mississippi | 2D 3D TSV |
| 21214204 | 100 | Synthesis and Biological Evaluation of a New Series of 1,2,4-Triazolo[1,5-a]-1,3,5-triazines as Human A(2A) Adenosine Receptor Antagonists with Improved Water Solubility. |
J Med Chem 54: (2011) | Universita di Trieste | 2D 3D TSV |
| 21211982 | 30 | Design, synthesis and evaluation of novel tacrine-multialkoxybenzene hybrids as dual inhibitors for cholinesterases and amyloid beta aggregation. |
Bioorg Med Chem 19: 763-70 (2011) | Sun Yat-sen University | 2D 3D TSV |
| 21211981 | 8 | 17ß-HSD2 inhibitors for the treatment of osteoporosis: Identification of a promising scaffold. |
Bioorg Med Chem 19: 807-15 (2011) | Saarland University | 2D 3D TSV |
| 21211980 | 47 | Characterization and anions inhibition studies of ana-carbonic anhydrase from the teleost fish Dicentrarchus labrax. |
Bioorg Med Chem 19: 744-8 (2011) | Ondokuz Mayis University | 2D 3D TSV |
| 21211973 | 35 | 1-(1-acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea (AR9281) as a potent, selective, and orally available soluble epoxide hydrolase inhibitor with efficacy in rodent models of hypertension and dysglycemia. |
Bioorg Med Chem Lett 21: 983-8 (2011) | Ar£te Therapeutics, Inc. | 2D 3D TSV |
| 21211972 | 6 | The discovery of furo[2,3-c]pyridine-based indanone oximes as potent and selective B-Raf inhibitors. |
Bioorg Med Chem Lett 21: 1248-52 (2011) | Array BioPharma, 3200 Walnut Street, Boulder, CO 80301, USA. | 2D 3D TSV |
| 21211969 | 42 | Sodium [2'-[(cyclopropanecarbonyl-ethyl-amino)-methyl]-4'-(6-ethoxy-pyridin-3-yl)-6-methoxy-biphenyl-3-yl]-acetate (AM432): a potent, selective prostaglandin D2 receptor antagonist. |
Bioorg Med Chem Lett 21: 1036-40 (2011) | Amira Pharmaceuticals | 2D 3D TSV |
| 21210664 | 74 | Discovery of phosphoric acid mono-{2-[(E/Z)-4-(3,3-dimethyl-butyrylamino)-3,5-difluoro-benzoylimino]-thiazol-3-ylmethyl} ester (Lu AA47070): a phosphonooxymethylene prodrug of a potent and selective hA(2A) receptor antagonist. |
J Med Chem 54: 751-64 (2012) | H. Lundbeck A/S | 2D 3D TSV |
| 21208803 | 81 | The identification of substituted benzothiophene derivatives as PGE(2) subtype 4 receptor antagonists: From acid to non-acid. |
Bioorg Med Chem Lett 21: 734-7 (2011) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 21208801 | 275 | Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata. |
Bioorg Med Chem Lett 21: 710-4 (2011) | Centre Scientifique de Monaco | 2D 3D TSV |
| 21208635 | 15 | Heteroarylimino-4-thiazolidinones as inhibitors of cartilage degradation. |
Bioorg Chem 39: 48-52 (2011) | University of Catania | 2D 3D TSV |
| 21207959 | 69 | Syntheses of 2-amino and 2-halothiazole derivatives as high-affinity metabotropic glutamate receptor subtype 5 ligands and potential radioligands for in vivo imaging. |
J Med Chem 54: 901-8 (2012) | National Institute of Mental Health | 2D 3D TSV |
| 21207958 | 13 | Deconstruction of non-nucleoside reverse transcriptase inhibitors of human immunodeficiency virus type 1 for exploration of the optimization landscape of fragments. |
J Med Chem 54: 709-18 (2011) | Beactica AB | 2D 3D TSV |
| 21207957 | 163 | Discovery of potent competitive antagonists and positive modulators of the P2X2 receptor. |
J Med Chem 54: 817-30 (2012) | University of Bonn | 2D 3D TSV |
| 21195616 | 26 | A potent and selective indole N-type calcium channel (Ca(v)2.2) blocker for the treatment of pain. |
Bioorg Med Chem Lett 21: 869-73 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21195614 | 56 | Pyrimido[4,5-d]azepines as potent and selective 5-HT2C receptor agonists: design, synthesis, and evaluation of PF-3246799 as a treatment for urinary incontinence. |
Bioorg Med Chem Lett 21: 2715-20 (2011) | Pfizer Inc | 2D 3D TSV |
| 21195612 | 5 | 8-Aza-7,9-dideazaxanthine acyclic nucleoside phosphonate inhibitors of thymidine phosphorylase. |
Bioorg Med Chem Lett 21: 652-4 (2011) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 21195610 | 35 | Discovery of fused 5,6-bicyclic heterocycles as ?-secretase modulators. |
Bioorg Med Chem Lett 21: 664-9 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21194957 | 27 | Design, synthesis and biological evaluation of novel L-lysine ureido derivatives as aminopeptidase N inhibitors. |
Bioorg Med Chem 19: 900-6 (2011) | Shandong University | 2D 3D TSV |
| 21194956 | 7 | Intramolecular azo-bridge as a cystine disulfide bond surrogate: Somatostatin-14 and brain natriuretic peptide (BNP) analogs. |
Bioorg Med Chem 19: 798-806 (2011) | The Weizmann Institute of Science | 2D 3D TSV |
| 21194954 | 4 | Syntheses, structures and antibiotic activities of LpxC inhibitors based on the diacetylene scaffold. |
Bioorg Med Chem 19: 852-60 (2011) | Jilin University | 2D 3D TSV |
| 21194953 | 15 | Computational approach to the identification of novel Aurora-A inhibitors. |
Bioorg Med Chem 19: 907-16 (2011) | Korea Institute of Science and Technology | 2D 3D TSV |
| 21194943 | 9 | Chromone 3-phenylcarboxamides as potent and selective MAO-B inhibitors. |
Bioorg Med Chem Lett 21: 707-9 (2011) | Universidade do Porto | 2D 3D TSV |
| 21194941 | 2 | Biological study of a somatostatin mimetic based on the 1-deoxynojrimycin scaffold. |
Bioorg Med Chem Lett 21: 824-8 (2011) | Shandong University School of Medicine | 2D 3D TSV |
| 21194936 | 39 | Discovery and optimization of a novel, selective and brain penetrant M1 positive allosteric modulator (PAM): the development of ML169, an MLPCN probe. |
Bioorg Med Chem Lett 21: 2697-701 (2011) | Vanderbilt Institute of Chemical Biology/Chemical Synthesis Core | 2D 3D TSV |
| 21194227 | 9 | Design and synthesis of potent HIV-1 protease inhibitors incorporating hexahydrofuropyranol-derived high affinity P(2) ligands: structure-activity studies and biological evaluation. |
J Med Chem 54: 622-34 (2011) | Purdue University | 2D 3D TSV |
| 21193314 | 53 | Structural and biochemical study on the inhibitory activity of derivatives of 5-nitro-furan-2-carboxylic acid for RNase H function of HIV-1 reverse transcriptase. |
Bioorg Med Chem 19: 816-25 (2011) | Chiba University | 2D 3D TSV |
| 21193311 | 22 | Shp2 protein tyrosine phosphatase inhibitor activity of estramustine phosphate and its triterpenoid analogs. |
Bioorg Med Chem Lett 21: 730-3 (2011) | H. Lee Moffitt Cancer Center and Research Institute | 2D 3D TSV |
| 21193310 | 81 | Tetrahydroquinoline derivatives as opioid receptor antagonists. |
Bioorg Med Chem Lett 21: 670-6 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21193308 | 24 | Exploration of SAR regarding glucose moiety in novel C-aryl glucoside inhibitors of SGLT2. |
Bioorg Med Chem Lett 21: 742-6 (2011) | Green Cross Corporation | 2D 3D TSV |
| 21192659 | 16 | A practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors. |
J Med Chem 54: 851-7 (2012) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
| 21190859 | 65 | Discovery of novel phenylpyridone derivatives as potent and selective MCH1R antagonists. |
Bioorg Med Chem 19: 883-93 (2011) | Tsukuba Research Institute | 2D 3D TSV |
| 21190851 | 18 | Quinazolinones as¿-secretase modulators. |
Bioorg Med Chem Lett 21: 773-6 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21190850 | 25 | Structure based evolution of a novel series of positive modulators of the AMPA receptor. |
Bioorg Med Chem Lett 21: 805-11 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21190849 | 53 | 2,4-Diaminopyrimidine inhibitors of c-Met kinase bearing benzoxazepine anilines. |
Bioorg Med Chem Lett 21: 660-3 (2011) | Cephalon Inc | 2D 3D TSV |
| 21190848 | 61 | 1-(Arylsulfonyl)-2,3-dihydro-1H-quinolin-4-one derivatives as 5-HT(6) serotonin receptor ligands. |
Bioorg Med Chem Lett 21: 698-703 (2011) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 21190368 | 60 | Inhibition of lymphoid tyrosine phosphatase by benzofuran salicylic acids. |
J Med Chem 54: 562-71 (2011) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
| 21189339 | 5 | Interaction potential of etravirine with drug transporters assessed in vitro. |
Antimicrob Agents Chemother 55: 1282-4 (2011) | University Hospital Heidelberg | 2D 3D TSV |
| 21189039 | 3 | Biotransformation of turmerones by Aspergillus niger. |
J Nat Prod 74: 86-9 (2011) | Kinki University | 2D 3D TSV |
| 21189023 | 66 | Synthesis and molecular modeling of novel tetrahydro-ß-carboline derivatives with phosphodiesterase 5 inhibitory and anticancer properties. |
J Med Chem 54: 495-509 (2011) | German University in Cairo | 2D 3D TSV |
| 21189020 | 54 | New drug-like hydroxyphenylnaphthol steroidomimetics as potent and selective 17ß-hydroxysteroid dehydrogenase type 1 inhibitors for the treatment of estrogen-dependent diseases. |
J Med Chem 54: 534-47 (2011) | Saarland University | 2D 3D TSV |
| 21189019 | 22 | Identifying chelators for metalloprotein inhibitors using a fragment-based approach. |
J Med Chem 54: 591-602 (2011) | University of California | 2D 3D TSV |
| 21188966 | 2 | Solid-phase synthesis and biological evaluation of Joro spider toxin-4 from Nephila clavata. |
J Nat Prod 74: 483-6 (2011) | University of Copenhagen | 2D 3D TSV |
| 21186796 | 83 | Design and synthesis of pyrimidinone and pyrimidinedione inhibitors of dipeptidyl peptidase IV. |
J Med Chem 54: 510-24 (2011) | Takeda California Inc | 2D 3D TSV |
| 21186795 | 142 | Pyrimidine derivatives as potent and selective A3 adenosine receptor antagonists. |
J Med Chem 54: 457-71 (2011) | University of Santiago de Compostela | 2D 3D TSV |
| 21186793 | 72 | Structure-based design of potent and selective 2-(quinazolin-2-yl)phenol inhibitors of checkpoint kinase 2. |
J Med Chem 54: 580-90 (2011) | The Institute of Cancer Research | 2D 3D TSV |
| 21186123 | 36 | Discovery of a series of potent arylthiadiazole H(3) antagonists. |
Bioorg Med Chem Lett 21: 861-4 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21185722 | 74 | Azaindoles as potent CRTH2 receptor antagonists. |
Bioorg Med Chem Lett 21: 841-5 (2011) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 21185721 | 26 | Potent and selective thiophene urea-templated inhibitors of S6K. |
Bioorg Med Chem Lett 21: 849-52 (2011) | Pfizer Inc | 2D 3D TSV |
| 21185626 | 178 | Predicting hERG activities of compounds from their 3D structures: development and evaluation of a global descriptors based QSAR model. |
Eur J Med Chem 46: 618-30 (2011) | TCG Lifesciences Ltd. | 2D 3D TSV |
| 21185187 | 42 | The synthesis and biological evaluation of 1-C-alkyl-L-arabinoiminofuranoses, a novel class ofa-glucosidase inhibitors. |
Bioorg Med Chem Lett 21: 738-41 (2011) | Tohoku Pharmaceutical University | 2D 3D TSV |
| 21185185 | 43 | The discovery of high affinity agonists of GPR109a with reduced serum shift and improved ADME properties. |
Bioorg Med Chem Lett 21: 2721-4 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21185184 | 27 | Molecular probes for the A2A adenosine receptor based on a pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine scaffold. |
Bioorg Med Chem Lett 21: 2740-5 (2011) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 21185183 | 111 | Design, synthesis, and pharmacological evaluation of azetedine and pyrrolidine derivatives as dual norepinephrine reuptake inhibitors and 5-HT(1A) partial agonists. |
Bioorg Med Chem Lett 21: 865-8 (2011) | Pfizer Inc | 2D 3D TSV |
| 21185177 | 30 | Synthesis and SAR of 4-(pyrazol-3-yl)-pyridines as novel c-jun N-terminal kinase inhibitors. |
Bioorg Med Chem Lett 21: 2732-5 (2011) | The Scripps Research Institute | 2D 3D TSV |
| 21185110 | 28 | 2-hydroxyisoquinoline-1,3(2H,4H)-diones as inhibitors of HIV-1 integrase and reverse transcriptase RNase H domain: influence of the alkylation of position 4. |
Eur J Med Chem 46: 535-46 (2011) | University of Lille | 2D 3D TSV |
| 21183355 | 18 | Synthesis and evaluation ofß-carboline derivatives as potential monoamine oxidase inhibitors. |
Bioorg Med Chem 19: 134-44 (2011) | Facult£s Universitaires Notre-Dame de la Paix | 2D 3D TSV |
| 21183353 | 27 | Investigation ofa-phenylnorstatine anda-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibitors. |
Bioorg Med Chem 19: 145-55 (2011) | Uppsala University | 2D 3D TSV |
| 21183344 | 59 | Discovery of molecular switches within the ADX-47273 mGlu5 PAM scaffold that modulate modes of pharmacology to afford potent mGlu5 NAMs, PAMs and partial antagonists. |
Bioorg Med Chem Lett 21: 2711-4 (2011) | Vanderbilt University Medical Center | 2D 3D TSV |
| 21183343 | 1 | A novel transition state analog inhibitor of guanase based on azepinomycin ring structure: Synthesis and biochemical assessment of enzyme inhibition. |
Bioorg Med Chem Lett 21: 756-9 (2011) | TBA | 2D 3D TSV |
| 21183342 | 22 | Discovery of novel hepatoselective HMG-CoA reductase inhibitors for treating hypercholesterolemia: a bench-to-bedside case study on tissue selective drug distribution. |
Bioorg Med Chem Lett 21: 2725-31 (2011) | Pfizer Inc | 2D 3D TSV |
| 21183257 | 202 | Three-dimensional quantitative structure-selectivity relationships analysis guided rational design of a highly selective ligand for the cannabinoid receptor 2. |
Eur J Med Chem 46: 547-55 (2011) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 21177485 | 7 | Glucuronidation of the red clover isoflavone irilone by liver microsomes from different species and human UDP-glucuronosyltransferases. |
Drug Metab Dispos 39: 610-6 (2011) | Max Rubner-Institute | 2D 3D TSV |
| 21177105 | 38 | Novel pyrrolo[2,1-f][1,2,4]triazin-4-amines: Dual inhibitors of EGFR and HER2 protein tyrosine kinases. |
Bioorg Med Chem Lett 21: 781-5 (2011) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 21175212 | 3 | Interactions of monoamine oxidases with the antiepileptic drug zonisamide: specificity of inhibition and structure of the human monoamine oxidase B complex. |
J Med Chem 54: 909-12 (2012) | University of Pavia | 2D 3D TSV |
| 21174434 | 13 | Discovery and SAR of 5-(3-chlorophenylamino)benzo[c][2,6]naphthyridine-8-carboxylic acid (CX-4945), the first clinical stage inhibitor of protein kinase CK2 for the treatment of cancer. |
J Med Chem 54: 635-54 (2011) | Cylene Pharmaceuticals | 2D 3D TSV |
| 21174408 | 13 | Radical scavenging and antioxidant activities of isocoumarins and a phthalide from the endophytic fungus Colletotrichum sp. |
J Nat Prod 74: 79-81 (2011) | Chulabhorn Institute | 2D 3D TSV |
| 21172734 | 7 | Synthesis and evaluation of 6-[1-(2-[(18)F]fluoro-3-pyridyl)-5-methyl-1H-1,2,3-triazol-4-yl]quinoline for positron emission tomography imaging of the metabotropic glutamate receptor type 1 in brain. |
Bioorg Med Chem 19: 102-10 (2011) | National Institute of Radiological Sciences | 2D 3D TSV |
| 21171894 | 6 | Apixaban inhibition of factor Xa: Microscopic rate constants and inhibition mechanism in purified protein systems and in human plasma. |
J Enzyme Inhib Med Chem 26: 514-26 (2011) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 21170122 | 84 | Comparative 3D QSAR study on ?(1)-, ?(2)-, and ?(3)-adrenoceptor agonists. |
Med Chem Res 19: 1121-1140 (2010) | National Institute of Pharmaceutical Education and Research | 2D 3D TSV |
| 21169023 | 166 | Design, synthesis and biological evaluation of small molecule inhibitors of CD4-gp120 binding based on virtual screening. |
Bioorg Med Chem 19: 91-101 (2011) | Bryn Mawr College | 2D 3D TSV |
| 21169017 | 63 | Discovery of novel class 1 phosphatidylinositide 3-kinases (PI3K) fragment inhibitors through structure-based virtual screening. |
Bioorg Med Chem Lett 21: 829-35 (2011) | AstraZeneca R & D M£lndal | 2D 3D TSV |
| 21168763 | 9 | Natural product-guided discovery of a fungal chitinase inhibitor. |
Chem Biol 17: 1275-81 (2010) | University of Dundee | 2D 3D TSV |
| 21168329 | 47 | New furin inhibitors based on weakly basic amidinohydrazones. |
Bioorg Med Chem Lett 21: 836-40 (2011) | Philipps University Marburg | 2D 3D TSV |
| 21167722 | 1 | Synthesis of sugar-amino acid-nucleosides as potential glycosyltransferase inhibitors. |
Bioorg Med Chem 19: 58-66 (2011) | National Research Council of Canada | 2D 3D TSV |
| 21167721 | 4 | DR396, an apoptotic DNase¿ inhibitor, attenuates high mobility group box 1 release from apoptotic cells. |
Bioorg Med Chem 19: 168-71 (2011) | Tokyo University of Science | 2D 3D TSV |
| 21167710 | 18 | Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A). |
Bioorg Med Chem Lett 21: 2736-9 (2011) | Leiden University | 2D 3D TSV |
| 21163664 | 24 | Design and synthesis of 3-pyridylacetamide derivatives as dipeptidyl peptidase IV (DPP-4) inhibitors targeting a bidentate interaction with Arg125. |
Bioorg Med Chem 19: 172-85 (2011) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21163663 | 15 | Triazoloquinazolinediones as novel high affinity ligands for the benzodiazepine site of GABA(A) receptors. |
Bioorg Med Chem 19: 111-21 (2011) | Lund University | 2D 3D TSV |
| 21163662 | 39 | Cholinergic and neuroprotective drugs for the treatment of Alzheimer and neuronal vascular diseases. II. Synthesis, biological assessment, and molecular modelling of new tacrine analogues from highly substituted 2-aminopyridine-3-carbonitriles. |
Bioorg Med Chem 19: 122-33 (2011) | Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) | 2D 3D TSV |
| 21163661 | 26 | Synthesis and xanthine oxidase inhibitory activity of 7-methyl-2-(phenoxymethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one derivatives. |
Bioorg Med Chem 19: 211-20 (2011) | University of Mysore | 2D 3D TSV |
| 21163660 | 31 | Inhibition of theß-carbonic anhydrase from Streptococcus pneumoniae by inorganic anions and small molecules: Toward innovative drug design of antiinfectives? |
Bioorg Med Chem 19: 243-8 (2011) | Radboud University Nijmegen Medical Centre | 2D 3D TSV |
| 21163647 | 121 | QSAR of adenosine receptor antagonists: Exploring physicochemical requirements for binding of pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine derivatives with human adenosine A(3) receptor subtype. |
Bioorg Med Chem Lett 21: 818-23 (2011) | University Institute of Pharmaceutical Sciences and UGC Center of Advanced Study in Pharmaceutical Sciences (UGC-CAS) | 2D 3D TSV |
| 21159515 | 29 | New imidazoline/a(2)-adrenoceptors affecting compounds-4(5)-(2-aminoethyl)imidazoline (dihydrohistamine) derivatives. Synthesis and receptor affinity studies. |
Bioorg Med Chem 19: 156-67 (2011) | Gdansk University of Technology | 2D 3D TSV |
| 21159507 | 23 | Novel tetrahydropyrido[3,2-c]pyrroles as 5-HT(7) antagonists. |
Bioorg Med Chem Lett 21: 42-4 (2010) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 21158453 | 12 | Ursodeoxycholic acid amides as novel glucocorticoid receptor modulators. |
J Med Chem 54: 122-30 (2011) | Trinity College Dublin | 2D 3D TSV |
| 21155605 | 39 | Identification of a potent Janus kinase 3 inhibitor with high selectivity within the Janus kinase family. |
J Med Chem 54: 284-8 (2011) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 21155570 | 16 | Design and synthesis of an orally active metabotropic glutamate receptor subtype-2 (mGluR2) positive allosteric modulator (PAM) that decreases cocaine self-administration in rats. |
J Med Chem 54: 342-53 (2011) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
| 21149541 | 5 | Casopitant: in vitro data and SimCyp simulation to predict in vivo metabolic interactions involving cytochrome P450 3A4. |
Drug Metab Dispos 39: 363-72 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21147533 | 60 | Understanding DP receptor antagonism using a CoMSIA approach. |
Bioorg Med Chem Lett 21: 66-75 (2010) | Sanofi Aventis US | 2D 3D TSV |
| 21147532 | 82 | Discovery of novel, potent, selective, and orally active human glucagon receptor antagonists containing a pyrazole core. |
Bioorg Med Chem Lett 21: 76-81 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21147531 | 44 | 2-(4-carbonylphenyl)benzoxazole inhibitors of CETP: scaffold design and advancement in HDLc-raising efficacy. |
Bioorg Med Chem Lett 21: 1890-5 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21147530 | 16 | Novel bis-, tris-, and tetrakis-tertiary amino analogs as antagonists at neuronal nicotinic receptors that mediate nicotine-evoked dopamine release. |
Bioorg Med Chem Lett 21: 88-91 (2010) | University of Kentucky | 2D 3D TSV |
| 21146989 | 46 | Trishomocubane as a scaffold for the development of selective dopamine transporter (DAT) ligands. |
Bioorg Med Chem Lett 21: 38-41 (2010) | The University of Sydney | 2D 3D TSV |
| 21146988 | 26 | Novel serotonin type 3 receptor partial agonists for the potential treatment of irritable bowel syndrome. |
Bioorg Med Chem Lett 21: 58-61 (2010) | AMRI | 2D 3D TSV |
| 21146987 | 20 | Peptide deformylase inhibitors with non-peptide scaffold: synthesis and structure-activity relationships. |
Bioorg Med Chem Lett 21: 133-6 (2010) | Seoul National University | 2D 3D TSV |
| 21146986 | 50 | Novel 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene analogues as potent and selective 5-HT(2C) agonists for the treatment of metabolic disorders. |
Bioorg Med Chem Lett 21: 34-7 (2010) | Evotec UK Ltd | 2D 3D TSV |
| 21146984 | 58 | The synthesis and biological evaluation of 2-(3-methyl or 3-phenylisoxazol-5-yl)-3-aryl-8-thiabicyclo[3.2.1]octanes. |
Bioorg Med Chem Lett 21: 48-51 (2010) | Organix Inc | 2D 3D TSV |
| 21146408 | 53 | The characterization of a novel V1b antagonist lead series. |
Bioorg Med Chem Lett 21: 92-6 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 21145740 | 41 | Fragment-based discovery of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors. |
Bioorg Med Chem Lett 21: 97-101 (2010) | MSD | 2D 3D TSV |
| 21145738 | 5 | Diphenylpropynone derivatives as probes for imagingß-amyloid plaques in Alzheimer's brains. |
Bioorg Med Chem Lett 21: 117-20 (2010) | Kyoto University | 2D 3D TSV |
| 21145737 | 12 | Application of p21 and klf2 reporter gene assays to identify selective histone deacetylase inhibitors for cancer therapy. |
Bioorg Med Chem Lett 21: 110-6 (2010) | Roche R & D Center China Ltd | 2D 3D TSV |
| 21145236 | 87 | Inhibition ofß-carbonic anhydrases with ureido-substituted benzenesulfonamides. |
Bioorg Med Chem Lett 21: 102-5 (2010) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 21144757 | 15 | Design, synthesis, and testing of an 6-O-linked series of benzimidazole based inhibitors of CDK5/p25. |
Bioorg Med Chem 19: 359-73 (2011) | Duquesne University | 2D 3D TSV |
| 21144750 | 30 | Design of novel N-phenylnicotinamides as selective cyclooxygenase-1 inhibitors. |
Bioorg Med Chem Lett 21: 121-4 (2010) | Nanjing University | 2D 3D TSV |
| 21144749 | 55 | Preparation, in vitro screening and molecular modelling of symmetrical 4-tert-butylpyridinium cholinesterase inhibitors--analogues of SAD-128. |
Bioorg Med Chem Lett 21: 150-4 (2010) | University of Defence | 2D 3D TSV |
| 21144746 | 1 | Potentiation of ribonuclease cytotoxicity by a poly(amidoamine) dendrimer. |
Bioorg Med Chem Lett 21: 2756-8 (2011) | University of Wisconsin-Madison | 2D 3D TSV |
| 21143042 | 30 | Design, synthesis, and biological activity of thiazole derivatives as novel influenza neuraminidase inhibitors. |
J Enzyme Inhib Med Chem 26: 506-13 (2011) | Shandong University | 2D 3D TSV |
| 21142112 | 7 | Tuberatolides, potent FXR antagonists from the Korean marine tunicate Botryllus tuberatus. |
J Nat Prod 74: 90-4 (2011) | Seoul National University | 2D 3D TSV |
| 21142106 | 28 | Pipecolic acid derivatives as small-molecule inhibitors of the Legionella MIP protein. |
J Med Chem 54: 277-83 (2011) | University of Wu£rzburg | 2D 3D TSV |
| 21141920 | 42 | Synthesis and biological evaluation of 3-biphenyl-4-yl-4-phenyl-4H-1,2,4-triazoles as novel glycine transporter 1 inhibitors. |
J Med Chem 54: 387-91 (2011) | Astellas Pharma Inc | 2D 3D TSV |
| 21141896 | 2 | Discovery of (7R)-14-cyclohexyl-7-{[2-(dimethylamino)ethyl](methyl) amino}-7,8-dihydro-6H-indolo[1,2-e][1,5]benzoxazocine-11-carboxylic acid (MK-3281), a potent and orally bioavailable finger-loop inhibitor of the hepatitis C virus NS5B polymerase. |
J Med Chem 54: 289-301 (2011) | P. Angeletti S.p.A. (Merck Research Laboratories) | 2D 3D TSV |
| 21138310 | 17 | Cytochrome P450 3A4 inhibitory constituents of the wood of Taxus yunnanensis. |
J Nat Prod 74: 102-5 (2011) | University of Toyama | 2D 3D TSV |
| 21138280 | 33 | Investigations into the origin of the molecular recognition of several adenosine deaminase inhibitors. |
J Med Chem 54: 107-21 (2011) | Bar-Ilan University | 2D 3D TSV |
| 21138273 | 11 | Synthesis and biological evaluation of (6- and 7-phenyl) coumarin derivatives as selective nonsteroidal inhibitors of 17ß-hydroxysteroid dehydrogenase type 1. |
J Med Chem 54: 248-61 (2011) | University of Ljubljana | 2D 3D TSV |
| 21138269 | 17 | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase . |
Biochemistry 49: 10803-10 (2010) | University of California Irvine | 2D 3D TSV |
| 21138246 | 44 | Discovery of 5-chloro-N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (AZD1480) as a novel inhibitor of the Jak/Stat pathway. |
J Med Chem 54: 262-76 (2011) | AstraZeneca R&D | 2D 3D TSV |
| 21134757 | 6 | Benzopyrazine derivatives: A novel class of growth factor receptor bound protein 7 antagonists. |
Bioorg Med Chem 19: 693-701 (2011) | Monash University | 2D 3D TSV |
| 21134756 | 90 | Inhibition of monoamine oxidase by selected C5- and C6-substituted isatin analogues. |
Bioorg Med Chem 19: 261-74 (2011) | North-West University | 2D 3D TSV |
| 21134755 | 8 | Identification of novel ASK1 inhibitors using virtual screening. |
Bioorg Med Chem 19: 486-9 (2011) | PharmaDesign Inc | 2D 3D TSV |
| 21134749 | 31 | Indole-3-piperazinyl derivatives: novel chemical class of 5-HT(6) receptor antagonists. |
Bioorg Med Chem Lett 21: 346-9 (2010) | Suven Life Sciences Ltd | 2D 3D TSV |
| 21134748 | 59 | Stereospecific synthesis and structure-activity relationships of unsymmetrical 4,4-diphenylbut-3-enyl derivatives of nipecotic acid as GAT-1 inhibitors. |
Bioorg Med Chem Lett 21: 602-5 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 21134747 | 18 | Discovery of novel and orally active FXR agonists for the potential treatment of dyslipidemia& diabetes. |
Bioorg Med Chem Lett 21: 191-4 (2010) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 21133364 | 26 | Evaluation of novel N1-methyl-2-phenylindol-3-ylglyoxylamides as a new chemotype of 18 kDa translocator protein-selective ligand suitable for the development of positron emission tomography radioligands. |
J Med Chem 54: 366-73 (2011) | National Institute of Mental Health | 2D 3D TSV |
| 21130659 | 19 | Synthesis and biological evaluation of 7-substituted-1-(3-bromophenylamino)isoquinoline-4-carbonitriles as inhibitors of myosin light chain kinase and epidermal growth factor receptor. |
Bioorg Med Chem 19: 429-39 (2011) | Chemical Genomics Centre of the Max Planck Society | 2D 3D TSV |
| 21130650 | 42 | Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II). |
Bioorg Med Chem Lett 21: 141-4 (2010) | The University of Tokushima Graduate School | 2D 3D TSV |
| 21130649 | 11 | Development of a new class of benzoylpyrrole-based PPARa/¿ activators. |
Bioorg Med Chem Lett 21: 220-4 (2010) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
| 21129986 | 18 | Azido-iodo-N-benzyl derivatives of threo-methylphenidate (Ritalin, Concerta): Rational design, synthesis, pharmacological evaluation, and dopamine transporter photoaffinity labeling. |
Bioorg Med Chem 19: 504-12 (2011) | Duquesne University Mylan School of Pharmacy | 2D 3D TSV |
| 21129985 | 33 | 3-[(Imidazolidin-2-yl)imino]indazole ligands with selectivity for thea(2)-adrenoceptor compared to the imidazoline I(1) receptor. |
Bioorg Med Chem 19: 321-9 (2011) | Medical University of Gdansk | 2D 3D TSV |
| 21129983 | 9 | Vasorelaxant effect of flavonoids through calmodulin inhibition: Ex vivo, in vitro, and in silico approaches. |
Bioorg Med Chem 19: 542-6 (2011) | Universidad Aut£noma del Estado de Morelos | 2D 3D TSV |
| 21129981 | 1 | Small molecule inhibition of protein depalmitoylation as a new approach towards downregulation of oncogenic Ras signalling. |
Bioorg Med Chem 19: 1376-80 (2011) | Groningen Research Institute of Pharmacy | 2D 3D TSV |
| 21129966 | 1 | Oxidative inactivation of the lymphoid tyrosine phosphatase mediated by both general and active site directed NO donors. |
Bioorg Med Chem Lett 21: 285-7 (2010) | University of Utah | 2D 3D TSV |
| 21129965 | 18 | N-(Pyridin-3-yl)benzamides as selective inhibitors of human aldosterone synthase (CYP11B2). |
Bioorg Med Chem Lett 21: 186-90 (2010) | Saarland University & Helmholtz Institute for Pharmaceutical Research Saarland | 2D 3D TSV |
| 21129964 | 28 | Discovery and optimisation of a selective non-steroidal glucocorticoid receptor antagonist. |
Bioorg Med Chem Lett 21: 137-40 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21129963 | 23 | In vitro evaluation of 5-arylidene-2-thioxo-4-thiazolidinones active as aldose reductase inhibitors. |
Bioorg Med Chem Lett 21: 200-3 (2010) | University of Messina | 2D 3D TSV |
| 21128663 | 26 | An imidazopiperidine series of CCR5 antagonists for the treatment of HIV: the discovery of N-{(1S)-1-(3-fluorophenyl)-3-[(3-endo)-3-(5-isobutyryl-2-methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]propyl}acetamide (PF-232798). |
J Med Chem 54: 67-77 (2011) | Pfizer Inc | 2D 3D TSV |
| 21128646 | 88 | Aurora kinase inhibitors based on the imidazo[1,2-a]pyrazine core: fluorine and deuterium incorporation improve oral absorption and exposure. |
J Med Chem 54: 201-10 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21128645 | 60 | Phthalazinone pyrazoles as potent, selective, and orally bioavailable inhibitors of Aurora-A kinase. |
J Med Chem 54: 312-9 (2011) | Evotec (UK) Ltd | 2D 3D TSV |
| 21128618 | 60 | Integration of lead optimization with crystallography for a membrane-bound ion channel target: discovery of a new class of AMPA receptor positive allosteric modulators. |
J Med Chem 54: 78-94 (2011) | University of Sussex | 2D 3D TSV |
| 21128614 | 76 | Structural optimization of azadipeptide nitriles strongly increases association rates and allows the development of selective cathepsin inhibitors. |
J Med Chem 54: 396-400 (2011) | University of Bonn | 2D 3D TSV |
| 21128600 | 16 | Design, synthesis, and structural analysis of phenylpropanoic acid-type PPAR¿-selective agonists: discovery of reversed stereochemistry-activity relationship. |
J Med Chem 54: 331-41 (2011) | Okayama University | 2D 3D TSV |
| 21128594 | 93 | Development of potent µ and d opioid agonists with high lipophilicity. |
J Med Chem 54: 382-6 (2011) | University of Arizona | 2D 3D TSV |
| 21128593 | 44 | Design and optimization of benzimidazole-containing transient receptor potential melastatin 8 (TRPM8) antagonists. |
J Med Chem 54: 233-47 (2011) | Janssen Pharmaceutica NV | 2D 3D TSV |
| 21128592 | 51 | Discovery of novel N-ß-D-xylosylindole derivatives as sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the management of hyperglycemia in diabetes. |
J Med Chem 54: 166-78 (2011) | Taiwan National Health Research Institutes | 2D 3D TSV |
| 21126878 | 21 | Synthesis, pharmacological activity and structure affinity relationships of spirocyclics(1) receptor ligands with a (2-fluoroethyl) residue in 3-position. |
Bioorg Med Chem 19: 393-405 (2011) | Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster | 2D 3D TSV |
| 21126876 | 16 | Facile synthesis and biological evaluation of 3,3-diphenylpropanoyl piperazines as T-type calcium channel blockers. |
Bioorg Med Chem Lett 21: 215-9 (2010) | Institute of Science and Technology | 2D 3D TSV |
| 21126875 | 50 | A novel series of potent and selective EP(4) receptor ligands: facile modulation of agonism and antagonism. |
Bioorg Med Chem Lett 21: 484-7 (2010) | Merck Frosst Canada Inc. | 2D 3D TSV |
| 21126874 | 38 | 3-(Pyridin-2-yl-ethynyl)benzamide metabotropic glutamate receptor 5 negative allosteric modulators: hit to lead studies. |
Bioorg Med Chem Lett 21: 195-9 (2010) | Pfizer Inc | 2D 3D TSV |
| 21126094 | 5 | Eutypoids B-E produced by a Penicillium sp. strain from the North Sea. |
J Nat Prod 74: 99-101 (2011) | Institute of Marine Sciences (IFM-GEOMAR) | 2D 3D TSV |
| 21126020 | 2 | Novel trisubstituted benzimidazoles, targeting Mtb FtsZ, as a new class of antitubercular agents. |
J Med Chem 54: 374-81 (2011) | State University of New York | 2D 3D TSV |
| 21126019 | 73 | Discovery of a series of phosphonic acid-containing thiazoles and orally bioavailable diamide prodrugs that lower glucose in diabetic animals through inhibition of fructose-1,6-bisphosphatase. |
J Med Chem 54: 153-65 (2011) | Metabasis Therapeutics Inc | 2D 3D TSV |
| 21126002 | 39 | Reducing the brittleness of zein films through chemical modification. |
J Agric Food Chem 59: 56-61 (2011) | Rutgers University | 2D 3D TSV |
| 21123165 | 12 | Diabetes mellitus reduces activity of human UDP-glucuronosyltransferase 2B7 in liver and kidney leading to decreased formation of mycophenolic acid acyl-glucuronide metabolite. |
Drug Metab Dispos 39: 448-55 (2011) | University of Rhode Island | 2D 3D TSV |
| 21123068 | 42 | Chalcones as novel influenza A (H1N1) neuraminidase inhibitors from Glycyrrhiza inflata. |
Bioorg Med Chem Lett 21: 294-8 (2011) | Chosun University | 2D 3D TSV |
| 21123066 | 9 | Efficient synthesis and biological evaluation of epiceanothic acid and related compounds. |
Bioorg Med Chem Lett 21: 338-41 (2010) | China Pharmaceutical University | 2D 3D TSV |
| 21123062 | 48 | Fused bicyclic derivatives of 2,4-diaminopyrimidine as c-Met inhibitors. |
Bioorg Med Chem Lett 21: 164-7 (2010) | Cephalon Inc | 2D 3D TSV |
| 21121641 | 16 | Discovery of a small molecule PDI inhibitor that inhibits reduction of HIV-1 envelope glycoprotein gp120. |
ACS Chem Biol 6: 245-51 (2011) | RIKEN Advanced Science Institute | 2D 3D TSV |
| 21121631 | 28 | Synthesis of phosphatidylinositol 3-kinase (PI3K) inhibitory analogues of the sponge meroterpenoid liphagal. |
J Med Chem 53: 8523-33 (2010) | University of British Columbia | 2D 3D TSV |
| 21118801 | 7 | Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor. |
J Biol Chem 286: 6433-48 (2011) | Merck Research Laboratories | 2D 3D TSV |
| 21117646 | 25 | Modulating oxytocin activity and plasma stability by disulfide bond engineering. |
J Med Chem 53: 8585-96 (2010) | The University of Queensland | 2D 3D TSV |
| 21116458 | 4 | Pharmacophore Refinement Guides the Rational Design of Nanomolar-Range Inhibitors of the Botulinum Neurotoxin Serotype A Metalloprotease. |
ACS Med Chem Lett 1: 301-305 (2010) | TBA | 2D 3D TSV |
| 21116453 | 51 | Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii. |
ACS Med Chem Lett 1: 331-335 (2011) | University of Washington | 2D 3D TSV |
| 21116447 | 65 | Identification and characterization of novel inhibitors of mPTPB, an essential virulent phosphatase from Mycobacterium tuberculosis. |
ACS Med Chem Lett 1: 355-359 (2010) | Indiana University School of Medicine | 2D 3D TSV |
| 21115794 | 3 | In Vitro antiretroviral properties of S/GSK1349572, a next-generation HIV integrase inhibitor. |
Antimicrob Agents Chemother 55: 813-21 (2011) | Shionogi & Co., Ltd | 2D 3D TSV |
| 21115285 | 57 | ApoA-I mimetic peptides promote pre-ß HDL formation in vivo causing remodeling of HDL and triglyceride accumulation at higher dose. |
Bioorg Med Chem 18: 8669-78 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21115251 | 20 | Biologically active constituents from the fruiting body of Taiwanofungus camphoratus. |
Bioorg Med Chem 19: 677-83 (2011) | National Formosa University | 2D 3D TSV |
| 21115248 | 11 | Synthesis and biological evaluation of new salvinorin A analogues incorporating natural amino acids. |
Bioorg Med Chem Lett 21: 160-3 (2010) | University of Mississippi | 2D 3D TSV |
| 21115247 | 64 | Tetrahydroquinoline glucocorticoid receptor agonists: discovery of a 3-hydroxyl for improving receptor selectivity. |
Bioorg Med Chem Lett 21: 168-71 (2010) | Ligand Pharmaceuticals | 2D 3D TSV |
| 21115245 | 69 | Structure-activity relationships of 2,4-diphenyl-1H-imidazole analogs as CB2 receptor agonists for the treatment of chronic pain. |
Bioorg Med Chem Lett 21: 182-5 (2010) | Merck Research Laboratory | 2D 3D TSV |
| 21114293 | 8 | Synthesis and insecticidal activity of novel carbamate derivatives as potential dual-binding site acetylcholinesterase inhibitors. |
J Agric Food Chem 58: 12817-21 (2010) | Chinese Academy of Agricultural Sciences | 2D 3D TSV |
| 21113169 | 6 | Specific Btk inhibition suppresses B cell- and myeloid cell-mediated arthritis. |
Nat Chem Biol 7: 41-50 (2011) | CGI Pharmaceuticals | 2D 3D TSV |
| 21112785 | 151 | Highly selective c-Jun N-terminal kinase (JNK) 2 and 3 inhibitors with in vitro CNS-like pharmacokinetic properties prevent neurodegeneration. |
Bioorg Med Chem Lett 21: 315-9 (2010) | Elan Pharmaceuticals | 2D 3D TSV |
| 21112784 | 15 | Synthesis of a novel human PPARd selective agonist and its stimulatory effect on oligodendrocyte differentiation. |
Bioorg Med Chem Lett 21: 240-4 (2010) | Nippon Chemiphar Co., Ltd | 2D 3D TSV |
| 21112782 | 80 | The identification, and optimisation of hERG selectivity, of a mixed NET/SERT re-uptake inhibitor for the treatment of pain. |
Bioorg Med Chem Lett 21: 271-5 (2010) | MSD | 2D 3D TSV |
| 21112780 | 30 | Design and synthesis of potent macrocyclic renin inhibitors. |
Bioorg Med Chem Lett 21: 358-62 (2010) | Medivir AB | 2D 3D TSV |
| 21111619 | 9 | Thiophene and bioisostere derivatives as new MMP12 inhibitors. |
Bioorg Med Chem Lett 21: 528-30 (2010) | Evotec OAI | 2D 3D TSV |
| 21111618 | 20 | Receptor activity and conformational analysis of 5'-halogenated resiniferatoxin analogs as TRPV1 ligands. |
Bioorg Med Chem Lett 21: 299-302 (2010) | Seoul National University | 2D 3D TSV |
| 21111617 | 1 | Silanetriols as in vitro inhibitors for AChE. |
Bioorg Med Chem Lett 21: 363-5 (2010) | Karl-Franzens-Universit£t Graz | 2D 3D TSV |
| 21111515 | 12 | Synthesis, biological assessment and molecular modeling of new dihydroquinoline-3-carboxamides and dihydroquinoline-3-carbohydrazide derivatives as cholinesterase inhibitors, and Ca channel antagonists. |
Eur J Med Chem 46: 1-10 (2010) | Université de Franche-Comté | 2D 3D TSV |
| 21111404 | 19 | Preparation of triazole-linked glycosylated ??????-ketocarboxylic acid derivatives as new PTP1B inhibitors. |
Carbohydr Res 346: 140-5 (2011) | East China University of Science and Technology | 2D 3D TSV |
| 21109436 | 1 | Reverse type I inhibitor of Mycobacterium tuberculosis CYP125A1. |
Bioorg Med Chem Lett 21: 332-7 (2011) | University of California San Francisco | 2D 3D TSV |
| 21109434 | 40 | Structure-activity relationship (SAR) of thea-amino acid residue of potent tetrahydroisoquinoline (THIQ)-derived LFA-1/ICAM-1 antagonists. |
Bioorg Med Chem Lett 21: 307-10 (2010) | Sunesis Pharmaceuticals Inc | 2D 3D TSV |
| 21109432 | 22 | Synthesis and SAR of novel CXCR4 antagonists that are potent inhibitors of T tropic (X4) HIV-1 replication. |
Bioorg Med Chem Lett 21: 262-6 (2010) | Genzyme Corp. | 2D 3D TSV |
| 21109332 | 6 | 1,2,5-Oxadiazole analogues of leflunomide and related compounds. |
Eur J Med Chem 46: 383-92 (2010) | Universit£ di Torino | 2D 3D TSV |
| 21108268 | 67 | Biological evaluation and structural determinants of p38α mitogen-activated-protein kinase and c-Jun-N-terminal kinase 3 inhibition by flavonoids. |
Chembiochem 11: 2579-88 (2010) | Eberhard Karls University of Tuebingen | 2D 3D TSV |
| 21106457 | 41 | N-aryl-benzimidazolones as novel small molecule HSP90 inhibitors. |
Bioorg Med Chem Lett 20: 7503-6 (2010) | Abbott Laboratories | 2D 3D TSV |
| 21106456 | 35 | Discovery of a novel class of biphenyl pyrazole sodium channel blockers for treatment of neuropathic pain. |
Bioorg Med Chem Lett 20: 7479-82 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21106455 | 60 | Diamino-1,2,4-triazole derivatives are selective inhibitors of TYK2 and JAK1 over JAK2 and JAK3. |
Bioorg Med Chem Lett 20: 7454-7 (2010) | SRI International | 2D 3D TSV |
| 21106451 | 39 | Novel TNF-a converting enzyme (TACE) inhibitors as potential treatment for inflammatory diseases. |
Bioorg Med Chem Lett 20: 7283-7 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21106380 | 33 | Hypericins and thioredoxin reductase: Biochemical and docking studies disclose the molecular basis for effective inhibition by naphthodianthrones. |
Bioorg Med Chem 19: 631-41 (2011) | University of Padova | 2D 3D TSV |
| 21106379 | 3 | Tubulin photoaffinity labeling study with a plinabulin chemical probe possessing a biotin tag at the oxazole. |
Bioorg Med Chem 19: 595-602 (2011) | Tokyo University of Pharmacy and Life Sciences | 2D 3D TSV |
| 21106375 | 198 | Discovery of MK-7246, a selective CRTH2 antagonist for the treatment of respiratory diseases. |
Bioorg Med Chem Lett 21: 288-93 (2010) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 21106374 | 5 | Synthesis and biological evaluation of tubulysin D analogs related to stereoisomers of tubuvaline. |
Bioorg Med Chem Lett 21: 431-4 (2011) | Kyorin Pharmaceutical Co Ltd | 2D 3D TSV |
| 21106277 | 1 | Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities. |
Eur J Med Chem 46: 191-200 (2010) | Aristotelian University of Thessaloniki | 2D 3D TSV |
| 21106276 | 18 | The highly potent and selective dipeptidyl peptidase IV inhibitors bearing a thienopyrimidine scaffold effectively treat type 2 diabetes. |
Eur J Med Chem 46: 71-6 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 21105730 | 30 | Structure-activity relationships of substituted 1-pyridyl-2-phenyl-1,2-ethanediones: potent, selective carboxylesterase inhibitors. |
J Med Chem 53: 8709-15 (2010) | St. Jude Children's Research Hospital | 2D 3D TSV |
| 21105727 | 10 | Chemical switch of a metabotropic glutamate receptor 2 silent allosteric modulator into dual metabotropic glutamate receptor 2/3 negative/positive allosteric modulators. |
J Med Chem 53: 8775-9 (2010) | Domain Therapeutics SA | 2D 3D TSV |
| 21105715 | 4 | Dipyrimidine amines: a novel class of chemokine receptor type 4 antagonists with high specificity. |
J Med Chem 53: 8556-68 (2010) | Emory University | 2D 3D TSV |
| 21105712 | 25 | Potential chemopreventive agents based on the structure of the lead compound 2-bromo-1-hydroxyphenazine, isolated from Streptomyces species, strain CNS284. |
J Med Chem 53: 8688-99 (2010) | Purdue University | 2D 3D TSV |
| 21105711 | 79 | Discovery of CP-690,550: a potent and selective Janus kinase (JAK) inhibitor for the treatment of autoimmune diseases and organ transplant rejection. |
J Med Chem 53: 8468-84 (2010) | Pfizer Inc | 2D 3D TSV |
| 21105682 | 1 | Human cytochrome P450 liability studies of trans-dihydronarciclasine: a readily available, potent, and selective cancer cell growth inhibitor. |
J Nat Prod 74: 106-8 (2011) | McMaster University | 2D 3D TSV |
| 21105677 | 28 | Removal of the 26-methyl group from 19-nor-1a,25-dihydroxyvitamin D3 markedly reduces in vivo calcemic activity without altering in vitro VDR binding, HL-60 cell differentiation, and transcription. |
J Med Chem 53: 8642-9 (2010) | University of Wisconsin-Madison | 2D 3D TSV |
| 21105658 | 29 | FimH antagonists for the oral treatment of urinary tract infections: from design and synthesis to in vitro and in vivo evaluation. |
J Med Chem 53: 8627-41 (2010) | University of Basel | 2D 3D TSV |
| 21095126 | 60 | Discovery of 1-(3,4-dichlorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydroquinolin-4-amine, a dual serotonin and dopamine reuptake inhibitor. |
Bioorg Med Chem Lett 21: 520-3 (2010) | Sunovion Pharmaceuticals Inc | 2D 3D TSV |
| 21095125 | 9 | Synthesis and biological activity of novel 5'-arylamino-nucleosides by microwave-assisted one-pot tandem Staudinger/aza-Wittig/reduction. |
Bioorg Med Chem Lett 21: 574-6 (2011) | Hebei University | 2D 3D TSV |
| 21094608 | 74 | Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: a template-based approach--part 1. |
Bioorg Med Chem Lett 21: 467-70 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21094607 | 66 | Discovery of pyrazolo[1,5-a]pyrimidine-based CHK1 inhibitors: a template-based approach--part 2. |
Bioorg Med Chem Lett 21: 471-4 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21094606 | 24 | Discovery of isoindoline and tetrahydroisoquinoline derivatives as potent, selective PPARd agonists. |
Bioorg Med Chem Lett 21: 492-6 (2010) | AstraZeneca R&D Charnwood | 2D 3D TSV |
| 21094047 | 69 | 2-Arylbenzoxazoles as CETP inhibitors: raising HDL-C in cynoCETP transgenic mice. |
Bioorg Med Chem Lett 21: 558-61 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21094046 | 4 | Discovery of a novel hybrid from finasteride and epristeride as 5a-reductase inhibitor. |
Bioorg Med Chem Lett 21: 475-8 (2010) | College of Chemical and Environmental Engineering | 2D 3D TSV |
| 21093273 | 154 | Synthesis and pharmacological evaluation of 4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalenyl amines as triple reuptake inhibitors. |
Bioorg Med Chem 19: 663-76 (2011) | Sepracor Inc. | 2D 3D TSV |
| 21093272 | 126 | Identification of 3-sulfonylindazole derivatives as potent and selective 5-HT(6) antagonists. |
Bioorg Med Chem 19: 650-62 (2011) | Wyeth Research | 2D 3D TSV |
| 21093259 | 38 | Synthesis and 11ß hydroxysteroid dehydrogenase 1 inhibition of thiazolidine derivatives with an adamantyl group. |
Bioorg Med Chem Lett 21: 435-9 (2010) | Korea University | 2D 3D TSV |
| 21093258 | 66 | Synthesis and optimization of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11ß-HSD1 inhibitors. |
Bioorg Med Chem Lett 21: 405-10 (2010) | Amgen Inc | 2D 3D TSV |
| 21093118 | 32 | Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT(1A) activity. part 3. |
Eur J Med Chem 46: 142-9 (2010) | Medical University of Warsaw | 2D 3D TSV |
| 21093117 | 5 | Novel isatinyl thiosemicarbazones derivatives as potential molecule to combat HIV-TB co-infection. |
Eur J Med Chem 46: 106-21 (2011) | Birla Institute of Technology & Science-Pilani | 2D 3D TSV |
| 21093114 | 61 | Self-organizing molecular field analysis on humanß-secretase nonpeptide inhibitors: 5, 5-disubstituted aminohydantoins. |
Eur J Med Chem 46: 58-64 (2010) | Sichuan University | 2D 3D TSV |
| 21093113 | 58 | Molecular modeling studies on imidazo[4,5-b]pyridine derivatives as Aurora A kinase inhibitors using 3D-QSAR and docking approaches. |
Eur J Med Chem 46: 77-94 (2010) | Jinan University | 2D 3D TSV |
| 21090682 | 48 | Structure-based design, synthesis, and pharmacological evaluation of 3-(aminoalkyl)-5-fluoroindoles as myeloperoxidase inhibitors. |
J Med Chem 53: 8747-59 (2010) | Universite£? Libre de Bruxelles | 2D 3D TSV |
| 21090681 | 18 | Diadenosine 5',5''-(boranated)polyphosphonate analogues as selective nucleotide pyrophosphatase/phosphodiesterase inhibitors. |
J Med Chem 53: 8485-97 (2010) | Bar-Ilan University | 2D 3D TSV |
| 21090651 | 21 | Discovery of non-glycoside sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors by ligand-based virtual screening. |
J Med Chem 53: 8770-4 (2010) | National Health Research Institutes | 2D 3D TSV |
| 21087868 | 3 | In silico discovery of acylated flavonol monorhamnosides from Eriobotrya japonica as natural, small-molecular weight inhibitors of XIAP BIR3. |
Bioorg Med Chem 19: 1002-9 (2011) | University of Innsbruck | 2D 3D TSV |
| 21087867 | 30 | Synthesis and SAR study of new phenylimidazole-pyrazolo[1,5-c]quinazolines as potent phosphodiesterase 10A inhibitors. |
Bioorg Med Chem 19: 642-9 (2011) | Universit£ di Sassari | 2D 3D TSV |
| 21087862 | 32 | Imidazo[4,5-d]thiazolo[5,4-b]pyridine based inhibitors of IKK2: synthesis, SAR, PK/PD and activity in a preclinical model of rheumatoid arthritis. |
Bioorg Med Chem Lett 21: 383-6 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 21087193 | 4 | Inhibition of lipoxygenase (LOX) and anticancer activity caused by gold(I) mixed ligands complexes of triphenylphosphine and thioamides. |
J Enzyme Inhib Med Chem 26: 592-7 (2011) | University of Ioannina | 2D 3D TSV |
| 21084197 | 4 | Thermodynamic and NMR analysis of inhibitor binding to dihydrofolate reductase. |
Bioorg Med Chem 18: 8485-92 (2010) | York University | 2D 3D TSV |
| 21084189 | 29 | Click chemistry inspired one-pot synthesis of 1,4-disubstituted 1,2,3-triazoles and their Src kinase inhibitory activity. |
Bioorg Med Chem Lett 21: 449-52 (2010) | Institute of Technology and Science | 2D 3D TSV |
| 21082864 | 87 | Identification and synthesis of novel inhibitors of acetyl-CoA carboxylase with in vitro and in vivo efficacy on fat oxidation. |
J Med Chem 53: 8679-87 (2010) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
| 21082766 | 49 | Discovery of novel GSK-3ß inhibitors with potent in vitro and in vivo activities and excellent brain permeability using combined ligand- and structure-based virtual screening. |
J Med Chem 53: 8534-45 (2010) | University of Louisiana at Monroe | 2D 3D TSV |
| 21080724 | 57 | Analogues of 4-[(7-Bromo-2-methyl-4-oxo-3H-quinazolin-6-yl)methylprop-2-ynylamino]-N-(3-pyridylmethyl)benzamide (CB-30865) as potent inhibitors of nicotinamide phosphoribosyltransferase (Nampt). |
J Med Chem 53: 8734-46 (2010) | Myrexis Inc | 2D 3D TSV |
| 21080703 | 20 | A novel pyrazolo[1,5-a]pyrimidine is a potent inhibitor of cyclin-dependent protein kinases 1, 2, and 9, which demonstrates antitumor effects in human tumor xenografts following oral administration. |
J Med Chem 53: 8508-22 (2010) | Imperial College | 2D 3D TSV |
| 21080647 | 27 | Discovery of 2-(6-{[(6-fluoroquinolin-2-yl)methyl]amino}bicyclo[3.1.0]hex-3-yl)-N-hydroxypyrimidine-5-carboxamide (CHR-3996), a class I selective orally active histone deacetylase inhibitor. |
J Med Chem 53: 8663-78 (2010) | Chroma Therapeutics Ltd | 2D 3D TSV |
| 21080642 | 4 | Catechin derivatives from Parapiptadenia rigida with in vitro wound-healing properties. |
J Nat Prod 73: 2035-41 (2010) | Albert-Ludwigs-University of Freiburg | 2D 3D TSV |
| 21080630 | 37 | SIRT1 modulation as a novel approach to the treatment of diseases of aging. |
J Med Chem 54: 417-32 (2011) | Sirtris a GSK Company | 2D 3D TSV |
| 21080629 | 153 | Novel chimeric histone deacetylase inhibitors: a series of lapatinib hybrides as potent inhibitors of epidermal growth factor receptor (EGFR), human epidermal growth factor receptor 2 (HER2), and histone deacetylase activity. |
J Med Chem 53: 8546-55 (2010) | University of Regensburg | 2D 3D TSV |
| 21079602 | 5 | Ultrasensitive in situ visualization of active glucocerebrosidase molecules. |
Nat Chem Biol 6: 907-13 (2010) | Leiden University | 2D 3D TSV |
| 21078557 | 34 | Structure based optimization of chromen-based TNF-a converting enzyme (TACE) inhibitors on S1' pocket and their quantitative structure-activity relationship (QSAR) study. |
Bioorg Med Chem 18: 8618-29 (2010) | Yonsei University | 2D 3D TSV |
| 21075638 | 105 | Synthesis and pharmacological properties of novel hydrophilic 5-HT4 receptor antagonists. |
Bioorg Med Chem 18: 8600-13 (2010) | Drug Discovery Laboratory AS | 2D 3D TSV |
| 21075627 | 26 | Inhalation by design: dual pharmacology β-2 agonists/M3 antagonists for the treatment of COPD. |
Bioorg Med Chem Lett 21: 2759-63 (2011) | Pfizer Inc | 2D 3D TSV |
| 21074998 | 80 | Synthesis, binding studies and molecular modeling of novel cannabinoid receptor ligands. |
Bioorg Med Chem 18: 8463-77 (2010) | German University in Cairo | 2D 3D TSV |
| 21074994 | 46 | Novel 2,3,4,5-tetrahydro-benzo[d]azepine derivatives of 2,4-diaminopyrimidine, selective and orally bioavailable ALK inhibitors with antitumor efficacy in ALCL mouse models. |
Bioorg Med Chem Lett 21: 463-6 (2010) | Cephalon Inc | 2D 3D TSV |
| 21074436 | 17 | Discovery of NBI-77860/GSK561679, a potent corticotropin-releasing factor (CRF1) receptor antagonist with improved pharmacokinetic properties. |
Bioorg Med Chem Lett 20: 7259-64 (2010) | Neurocrine Biosciences Inc | 2D 3D TSV |
| 21074434 | 4 | Design, synthesis, and structure-activity relationship study of bicyclic piperazine analogs of indole-3-carboxamides as novel cannabinoid CB1 receptor agonists. |
Bioorg Med Chem Lett 20: 7327-30 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21074432 | 25 | Selective peroxisome proliferator-activated receptord isosteric selenium agonists as potent anti-atherogenic agents in vivo. |
Bioorg Med Chem Lett 20: 7239-42 (2010) | Seoul National University | 2D 3D TSV |
| 21074430 | 53 | Discovery of new chemotype dipeptidyl peptidase IV inhibitors having (R)-3-amino-3-methyl piperidine as a pharmacophore. |
Bioorg Med Chem Lett 20: 7246-9 (2010) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
| 21074428 | 17 | The discovery and structure-activity relationships of indole-based inhibitors of glutamate carboxypeptidase II. |
Bioorg Med Chem Lett 20: 7222-5 (2010) | Eisai Research Institute | 2D 3D TSV |
| 21074426 | 34 | The identification of a series of novel, soluble non-peptidic neuropeptide Y Y2 receptor antagonists. |
Bioorg Med Chem Lett 20: 7341-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 21074425 | 44 | In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). |
Bioorg Med Chem Lett 20: 7331-6 (2010) | University of Manchester and Manchester Cancer Research Center | 2D 3D TSV |
| 21074424 | 57 | Design, synthesis and SAR of thienopyridines as potent CHK1 inhibitors. |
Bioorg Med Chem Lett 20: 7216-21 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21074294 | 60 | Receptor-dependent (RD) 3D-QSAR approach of a series of benzylpiperidine inhibitors of human acetylcholinesterase (HuAChE). |
Eur J Med Chem 46: 39-51 (2010) | Universidade Federal do Rio de Janeiro (UFRJ) | 2D 3D TSV |
| 21073190 | 135 | Dimethyl-diphenyl-propanamide Derivatives As Nonsteroidal Dissociated Glucocorticoid Receptor Agonists. |
J Med Chem 53: 8241-51 (2010) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 21073160 | 143 | Non-Natural Macrocyclic Inhibitors of Histone Deacetylases: Design, Synthesis, and Activity |
J Med Chem 53: 8387-8399 (2010) | TBA | 2D 3D TSV |
| 21071520 | 16 | Brain tissue binding of drugs: evaluation and validation of solid supported porcine brain membrane vesicles (TRANSIL) as a novel high-throughput method. |
Drug Metab Dispos 39: 312-21 (2011) | GlaxoSmithKline | 2D 3D TSV |
| 21071232 | 78 | Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective. |
Bioorg Med Chem 18: 8418-56 (2010) | The M. S. University of Baroda | 2D 3D TSV |
| 21071231 | 28 | 2-aminohydroxamic acid derivatives as inhibitors of Bacillus cereus phosphatidylcholine preferred phospholipase C PC-PLC(Bc). |
Bioorg Med Chem 18: 8549-55 (2010) | Institute of Advance Chemistry of Catalonia (IQAC-CSIC) | 2D 3D TSV |
| 21071223 | 190 | Design and synthesis of disubstituted thiophene and thiazole based inhibitors of JNK. |
Bioorg Med Chem Lett 20: 7303-7 (2010) | Elan Pharmaceuticals | 2D 3D TSV |
| 21070043 | 3 | Synthesis and identification of new 4-arylidene curcumin analogues as potential anticancer agents targeting nuclear factor-?B signaling pathway. |
J Med Chem 53: 8260-73 (2010) | Sun Yat-sen University | 2D 3D TSV |
| 21070033 | 42 | Incorporation of Piperazino Functionality into 1,3-Disubstituted Urea as the Tertiary Pharmacophore Affording Potent Inhibitors of Soluble Epoxide Hydrolase with Improved Pharmacokinetic Properties |
J Med Chem 53: 8376-8386 (2010) | TBA | 2D 3D TSV |
| 21068391 | 7 | Effect of tetracyclines on the dynamics of formation and destructuration of beta2-microglobulin amyloid fibrils. |
J Biol Chem 286: 2121-31 (2011) | University of Pavia | 2D 3D TSV |
| 21068193 | 1 | Inactivation of cytochrome P450 (P450) 3A4 but not P450 3A5 by OSI-930, a thiophene-containing anticancer drug. |
Drug Metab Dispos 39: 345-50 (2011) | University of Michigan | 2D 3D TSV |
| 21067930 | 8 | Discovery of 1H-benzo[d][1,2,3]triazol-1-yl 3,4,5-trimethoxybenzoate as a potential antiproliferative agent by inhibiting histone deacetylase. |
Bioorg Med Chem 18: 8457-62 (2010) | Nanjing University | 2D 3D TSV |
| 21067924 | 88 | 7,8-disubstituted- but not 6,7-disubstituted coumarins selectively inhibit the transmembrane, tumor-associated carbonic anhydrase isoforms IX and XII over the cytosolic ones I and II in the low nanomolar/subnanomolar range. |
Bioorg Med Chem Lett 20: 7255-8 (2010) | Università degli Studi di Firenze | 2D 3D TSV |
| 21067921 | 13 | Discovery of new azaindole-based PI3Ka inhibitors: apoptotic and antiangiogenic effect on cancer cells. |
Bioorg Med Chem Lett 20: 7212-5 (2010) | Institute of Science and Technology (KAIST) | 2D 3D TSV |
| 21067920 | 43 | 4-aryl piperazine and piperidine amides as novel mGluR5 positive allosteric modulators. |
Bioorg Med Chem Lett 20: 7381-4 (2010) | AstraZeneca Pharmaceuticals | 2D 3D TSV |
| 21067438 | 10 | Bifunctional phenolic-choline conjugates as anti-oxidants and acetylcholinesterase inhibitors. |
J Enzyme Inhib Med Chem 26: 485-97 (2011) | Instituto Superior Técnico | 2D 3D TSV |
| 21067437 | 3 | Urease inhibitors from Indigofera gerardiana Wall. |
J Enzyme Inhib Med Chem 26: 480-4 (2011) | Khyber Medical College | 2D 3D TSV |
| 21067234 | 21 | Novel Helix-Constrained Nociceptin Derivatives Are Potent Agonists and Antagonists of ERK Phosphorylation and Thermal Analgesia in Mice |
J Med Chem 53: 8400-8408 (2010) | TBA | 2D 3D TSV |
| 21067182 | 37 | Biostructural and Pharmacological Studies of Bicyclic Analogues of the 3-Isoxazolol Glutamate Receptor Agonist Ibotenic Acid |
J Med Chem 53: 8354-8361 (2010) | TBA | 2D 3D TSV |
| 21062081 | 47 | Histamine H3 receptor as a drug discovery target. |
J Med Chem 54: 26-53 (2011) | TBA | 2D 3D TSV |
| 21062009 | 70 | Design, Synthesis, and Structure−Activity Relationships of 3-Ethynyl-1H-indazoles as Inhibitors of the Phosphatidylinositol 3-Kinase Signaling Pathway |
J Med Chem 53: 8368-8375 (2010) | TBA | 2D 3D TSV |
| 21062005 | 12 | Acetic Acid Derivatives of 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxide as a Novel Class of Potent Aldose Reductase Inhibitors |
J Med Chem 53: 8330-8344 (2010) | TBA | 2D 3D TSV |
| 21059649 | 9 | Cisplatin inhibits protein splicing, suggesting inteins as therapeutic targets in mycobacteria. |
J Biol Chem 286: 1277-82 (2011) | University of Science and Technology of China | 2D 3D TSV |
| 21058665 | 52 | Nicotinic Acetylcholine Receptor Efficacy and Pharmacological Properties of 3-(Substituted phenyl)-2ß-substituted Tropanes. |
J Med Chem 53: 8345-53 (2010) | Research Triangle Institute | 2D 3D TSV |
| 21058632 | 14 | Screening of selective inhibitors of 1a,25-dihydroxyvitamin D3 24-hydroxylase using recombinant human enzyme expressed in Escherichia coli. |
Biochemistry 49: 10403-11 (2010) | University of Wisconsin | 2D 3D TSV |
| 21058380 | 19 | Benzobis(imidazolium)-cucurbit[8]uril complexes for binding and sensing aromatic compounds in aqueous solution. |
Chemistry 16: 13716-22 (2010) | University of Cambridge | 2D 3D TSV |
| 21055954 | 21 | Synthesis and structure-activity relationship of tetrahydropyrazolopyrimidine derivatives--a novel structural class of potent calcium-sensing receptor antagonists. |
Bioorg Med Chem 18: 8501-11 (2010) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 21055952 | 2 | A protected l-bromophosphonomethylphenylalanine amino acid derivative (BrPmp) for synthesis of irreversible protein tyrosine phosphatase inhibitors. |
Bioorg Med Chem 18: 8679-86 (2010) | University of Alberta | 2D 3D TSV |
| 21055936 | 14 | Synthesis and pharmacological characterization of 5-phenyl-2-[2-(1-piperidinylcarbonyl)phenyl]-2,3-dihydro-1H-pyrrolo[1,2-c]imidazol-1-ones: a new class of Neuropeptide S antagonists. |
Bioorg Med Chem Lett 20: 7308-11 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 21055935 | 2 | Experimental solubility profiling of marketed CNS drugs, exploring solubility limit of CNS discovery candidate. |
Bioorg Med Chem Lett 20: 7312-6 (2010) | AstraZeneca | 2D 3D TSV |
| 21055933 | 6 | Discovery of N-benzyl-N'-(4-pipyridinyl)urea CCR5 antagonists as anti-HIV-1 agents (II): modification of the acyl portion. |
Bioorg Med Chem Lett 20: 7401-4 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 21055932 | 137 | Discovery of novel quinolinone adenosine A2B antagonists. |
Bioorg Med Chem Lett 20: 7414-20 (2010) | Ligand Pharmaceuticals | 2D 3D TSV |
| 21055929 | 32 | Synthesis and biological evaluation of 3-[4-(amino/methylsulfonyl)phenyl]methylene-indolin-2-one derivatives as novel COX-1/2 and 5-LOX inhibitors. |
Bioorg Med Chem Lett 20: 7349-53 (2010) | China Pharmaceutical University | 2D 3D TSV |
| 21055848 | 10 | Antiproliferative activity of phenylbutyrate ester of haloperidol metabolite II [(±)-MRJF4] in prostate cancer cells. |
Eur J Med Chem 46: 433-8 (2010) | University of Catania | 2D 3D TSV |
| 21055613 | 31 | The novel benzopyran class of selective cyclooxygenase-2 inhibitors-part I: the first clinical candidate. |
Bioorg Med Chem Lett 20: 7155-8 (2010) | Pfizer Inc | 2D 3D TSV |
| 21054237 | 11 | Effects of some drugs on human erythrocyte glucose 6-phosphate dehydrogenase: an in vitro study. |
J Enzyme Inhib Med Chem 25: 871-5 (2010) | Ataturk University | 2D 3D TSV |
| 21053897 | 16 | Discovery of 1-(3-{2-[4-(2-Methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)-2-imidazolidinone (GSK163090), a Potent, Selective, and Orally Active 5-HT1A/B/D Receptor Antagonist |
J Med Chem 53: 8228-8240 (2010) | TBA | 2D 3D TSV |
| 21051230 | 2 | Synthesis and pharmacological evaluation of the stereoisomers of 3-carba cyclic-phosphatidic acid. |
Bioorg Med Chem Lett 20: 7525-8 (2010) | University of Tennessee Health Science Center | 2D 3D TSV |
| 21051228 | 29 | The identification of novel orally active mGluR5 antagonist GSK2210875. |
Bioorg Med Chem Lett 20: 7521-4 (2010) | Medicines Research Centre | 2D 3D TSV |
| 21050768 | 20 | Design and synthesis of an androgen receptor pure antagonist (CH5137291) for the treatment of castration-resistant prostate cancer. |
Bioorg Med Chem 18: 8150-7 (2010) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
| 21050767 | 7 | Design, synthesis and inhibition activity of novel cyclic peptides against protein tyrosine phosphatase A from Mycobacterium tuberculosis. |
Bioorg Med Chem 18: 8365-73 (2010) | Institute of Technology | 2D 3D TSV |
| 21050756 | 4 | Changes in flavonoid content and tyrosinase inhibitory activity in kenaf leaf extract after far-infrared treatment. |
Bioorg Med Chem Lett 20: 7534-6 (2010) | AmorePacific Corporation | 2D 3D TSV |
| 21050755 | 2 | Development of a sphingosine kinase 1 specific small-molecule inhibitor. |
Bioorg Med Chem Lett 20: 7498-502 (2010) | Pennsylvania State University College of Medicine | 2D 3D TSV |
| 21050754 | 1 | 2'-deoxy-2'-a-fluoro-2'-ß-C-methyl 3',5'-cyclic phosphate nucleotide prodrug analogs as inhibitors of HCV NS5B polymerase: discovery of PSI-352938. |
Bioorg Med Chem Lett 20: 7376-80 (2010) | Pharmasset Inc | 2D 3D TSV |
| 21047126 | 51 | Disulfide cyclized tripeptide analogues of angiotensin IV as potent and selective inhibitors of insulin-regulated aminopeptidase (IRAP). |
J Med Chem 53: 8059-71 (2010) | Uppsala University | 2D 3D TSV |
| 21047106 | 39 | Virtual screening to identify novel antagonists for the G protein-coupled NK3 receptor. |
J Med Chem 53: 8080-8 (2010) | Northeastern Ohio Universities Colleges of Medicine and Pharmacy | 2D 3D TSV |
| 21045201 | 2 | CYP4F enzymes are responsible for the elimination of fingolimod (FTY720), a novel treatment of relapsing multiple sclerosis. |
Drug Metab Dispos 39: 191-8 (2011) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 21044846 | 33 | Acetazolamide-based fungal chitinase inhibitors. |
Bioorg Med Chem 18: 8334-40 (2010) | University of Dundee | 2D 3D TSV |
| 21044843 | 29 | The discovery of tricyclic pyridone JAK2 inhibitors. Part 1: hit to lead. |
Bioorg Med Chem Lett 20: 7421-5 (2010) | Merck & Co. | 2D 3D TSV |
| 21044842 | 206 | Histamine H4 receptor agonists. |
Bioorg Med Chem Lett 20: 7191-9 (2010) | University of Regensburg | 2D 3D TSV |
| 21044840 | 47 | Potent and selective 5-LO inhibitor bearing benzothiophene pharmacophore: discovery of MK-5286. |
Bioorg Med Chem Lett 20: 7440-3 (2010) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 21041096 | 3 | Comparative inhibitory activity of 3'- and 5'-functionalized nucleosides on ribonuclease A. |
Bioorg Med Chem 18: 8257-63 (2010) | Institute of Technology | 2D 3D TSV |
| 21041086 | 3 | A novel ring-expanded product with enhanced tyrosinase inhibitory activity from classical Fe-catalyzed oxidation of rosmarinic acid, a potent antioxidative Lamiaceae polyphenol. |
Bioorg Med Chem Lett 20: 7393-6 (2010) | University of Tokushima | 2D 3D TSV |
| 21041084 | 102 | Identification of potent and reversible cruzipain inhibitors for the treatment of Chagas disease. |
Bioorg Med Chem Lett 20: 7444-9 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21041082 | 18 | Design of a novel class of biphenyl CETP inhibitors. |
Bioorg Med Chem Lett 20: 7469-72 (2010) | Merck Sharp & Dohme Corp | 2D 3D TSV |
| 21040495 | 6 | An alternative purification method for human serum paraoxonase 1 and its interactions with sulfonamides. |
Chem Biol Drug Des 76: 552-8 (2010) | Atatürk University | 2D 3D TSV |
| 21038853 | 133 | 4-(Pyrazol-4-yl)-pyrimidines as selective inhibitors of cyclin-dependent kinase 4/6. |
J Med Chem 53: 7938-57 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 21036612 | 10 | 1,2,3-triazolyl amino acids as AMPA receptor ligands. |
Bioorg Med Chem Lett 20: 7512-5 (2010) | The University of Adelaide | 2D 3D TSV |
| 21036609 | 38 | Potent and highly selective DP1 antagonists with 2,3,4,9-tetrahydro-1H-carbazole as pharmacophore. |
Bioorg Med Chem Lett 20: 7462-5 (2010) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 21036044 | 43 | Discovery of INCB3344, a potent, selective and orally bioavailable antagonist of human and murine CCR2. |
Bioorg Med Chem Lett 20: 7473-8 (2010) | Incyte Corporation | 2D 3D TSV |
| 21036043 | 78 | The discovery of new spirocyclic muscarinic M3 antagonists. |
Bioorg Med Chem Lett 20: 7458-61 (2010) | AstraZeneca | 2D 3D TSV |
| 21036042 | 7 | Azaindole N-methyl hydroxamic acids as HIV-1 integrase inhibitors-II. The impact of physicochemical properties on ADME and PK. |
Bioorg Med Chem Lett 20: 7429-34 (2010) | Pfizer Inc | 2D 3D TSV |
| 21036041 | 22 | Synthesis of potent, substituted carbazoles as selective androgen receptor modulators (SARMs). |
Bioorg Med Chem Lett 20: 7516-20 (2010) | Radius Health, Inc. | 2D 3D TSV |
| 21036040 | 28 | Inhibition of human neuraminidase 3 (NEU3) by C9-triazole derivatives of 2,3-didehydro-N-acetyl-neuraminic acid. |
Bioorg Med Chem Lett 20: 7529-33 (2010) | University of Alberta | 2D 3D TSV |
| 21035734 | 70 | Discovery and characterization of 2-anilino-4- (thiazol-5-yl)pyrimidine transcriptional CDK inhibitors as anticancer agents. |
Chem Biol 17: 1111-21 (2010) | Cyclacel Limited | 2D 3D TSV |
| 21035731 | 35 | Structural determinants of inhibitor selectivity in prokaryotic IMP dehydrogenases. |
Chem Biol 17: 1084-91 (2010) | Brandeis University | 2D 3D TSV |
| 21035339 | 16 | Design and synthesis of macrocyclic indoles targeting blood coagulation cascade Factor XIa. |
Bioorg Med Chem Lett 20: 6925-8 (2010) | Université de Montréal | 2D 3D TSV |
| 21035337 | 38 | Discovery of N-benzyl-N'-(4-pipyridinyl)urea CCR5 antagonists as anti-HIV-1 agents (I): optimization of the amine portion. |
Bioorg Med Chem Lett 20: 7397-400 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 21035336 | 42 | 5-amino-pyrazoles as potent and selective p38a inhibitors. |
Bioorg Med Chem Lett 20: 6886-9 (2010) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 21035334 | 55 | Discovery and selectivity-profiling of 4-benzylamino 1-aza-9-oxafluorene derivatives as lead structures for IGF-1R inhibitors. |
Bioorg Med Chem Lett 20: 6915-9 (2010) | Martin-Luther-University Halle-Wittenberg | 2D 3D TSV |
| 21035332 | 18 | Synthetic analogs of indole-containing natural products as inhibitors of sortase A and isocitrate lyase. |
Bioorg Med Chem Lett 20: 6882-5 (2010) | Institute | 2D 3D TSV |
| 21035331 | 32 | Identification and structure-activity relationship of 2-morpholino 6-(3-hydroxyphenyl) pyrimidines, a class of potent and selective PI3 kinase inhibitors. |
Bioorg Med Chem Lett 20: 6895-8 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 21033679 | 6 | Electron density guided fragment-based lead discovery of ketohexokinase inhibitors. |
J Med Chem 53: 7979-91 (2010) | Johnson & Johnson Pharmaceutical Research and Development LLC | 2D 3D TSV |
| 21033669 | 96 | Synthesis and biological evaluation of Apogossypolone derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. |
J Med Chem 53: 8000-11 (2010) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
| 21030469 | 31 | Correlation between bilirubin glucuronidation and estradiol-3-gluronidation in the presence of model UDP-glucuronosyltransferase 1A1 substrates/inhibitors. |
Drug Metab Dispos 39: 322-9 (2011) | University of Minnesota | 2D 3D TSV |
| 21030263 | 5 | 1,3-Diphenyl-1H-pyrazole derivatives as a new series of potent PPAR¿ partial agonists. |
Bioorg Med Chem 18: 8315-23 (2010) | Sookmyung Women's University | 2D 3D TSV |
| 21030257 | 1 | A novel small-molecule inhibitor of IL-6 signalling. |
Bioorg Med Chem Lett 20: 7029-32 (2010) | University of London | 2D 3D TSV |
| 21030256 | 61 | Trifluoromethylphenyl as P2 for ketoamide-based cathepsin S inhibitors. |
Bioorg Med Chem Lett 20: 6890-4 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 21030255 | 18 | Synthesis, biological evaluation and radiolabelling by 18F-fluoroarylation of a dopamine D3-selective ligand as prospective imaging probe for PET. |
Bioorg Med Chem Lett 20: 6933-7 (2010) | Friedrich-Alexander-Universität Erlangen-Nürnberg | 2D 3D TSV |
| 21030254 | 80 | Spiroimidazolidinone NPC1L1 inhibitors. Part 2: structure-activity studies and in vivo efficacy. |
Bioorg Med Chem Lett 20: 6929-32 (2010) | Merck & Co. | 2D 3D TSV |
| 21028894 | 47 | Novel potent orally active multitargeted receptor tyrosine kinase inhibitors: synthesis, structure-activity relationships, and antitumor activities of 2-indolinone derivatives. |
J Med Chem 53: 8140-9 (2010) | Shanghai Hengrui Pharmaceuticals Co., Ltd | 2D 3D TSV |
| 21028889 | 7 | Pulicatins A-E, neuroactive thiazoline metabolites from cone snail-associated bacteria. |
J Nat Prod 73: 1922-6 (2010) | University of Utah | 2D 3D TSV |
| 21028829 | 3 | Side chain cyclization based on serine residues: synthesis, structure, and activity of a novel cyclic analogue of the parathyroid hormone fragment 1-11. |
J Med Chem 53: 8072-9 (2010) | University of Padova | 2D 3D TSV |
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