Binding Database

Antimalarial histone deacetylase inhibitors containing cinnamate or NSAID components.

20951583

Bioorg Med Chem Lett 20: 7080-4 (2010)

The University of Queensland

2D 3D TSV

20951473

Design, synthesis and inhibitory activity against Mycobacterium tuberculosis thymidine monophosphate kinase of acyclic nucleoside analogues with a distal imidazoquinolinone.

Eur J Med Chem 45: 5910-8 (2010)

Instituto de Qu£mica M£dica (CSIC)

2D 3D TSV

20951039

Synthesis and structure-activity relationships of tyrosine-based inhibitors of autotaxin (ATX).

Bioorg Med Chem Lett 20: 7132-6 (2010)

University of Virginia

2D 3D TSV

20951038

Small molecule inhibitors of hantavirus infection.

Bioorg Med Chem Lett 20: 7085-91 (2010)

University of New Mexico School of Medicine

2D 3D TSV

20951037

Substituted spiro [2.3'] oxindolespiro [3.2¿]-5,6-dimethoxy-indane-1¿-one-pyrrolidine analogue as inhibitors of acetylcholinesterase.

Bioorg Med Chem Lett 20: 7064-6 (2010)

Universiti Sains Malaysia

2D 3D TSV

20951036

Synthesis and SAR of 4-aryl-1-(indazol-5-yl)pyridin-2(1H)ones as MCH-1 antagonists for the treatment of obesity.

Bioorg Med Chem Lett 20: 7020-3 (2010)

AMRI

2D 3D TSV

20951033

Design, synthesis and SAR of a novel series of benzimidazoles as potent NPY Y5 antagonists.

Bioorg Med Chem Lett 20: 7120-3 (2010)

GlaxoSmithKline

2D 3D TSV

20949929

Conformationally restricted homotryptamines. Part 7: 3-cis-(3-aminocyclopentyl)indoles as potent selective serotonin reuptake inhibitors.

J Med Chem 53: 7564-72 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

20947362

Synthesis, biological evaluation, and molecular docking studies of 2-chloropyridine derivatives possessing 1,3,4-oxadiazole moiety as potential antitumor agents.

Bioorg Med Chem 18: 7836-41 (2010)

Nanjing University

2D 3D TSV

20947361

The binding ofß-d-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: A new class of inhibitors.

Bioorg Med Chem 18: 7911-22 (2010)

National Hellenic Research Foundation

2D 3D TSV

20947360

Structural insights into the hot spot amino acid residues of mushroom tyrosinase for the bindings of thujaplicins.

Bioorg Med Chem 18: 8112-8 (2010)

Institute for Theoretical Medicine, Inc.

2D 3D TSV

20947359

Synthesis and evaluation of pyrazolone compounds as SARS-coronavirus 3C-like protease inhibitors.

Bioorg Med Chem 18: 7849-54 (2010)

Academia Sinica

2D 3D TSV

20947352

Discovery and synthesis of 6,7,8,9-tetrahydro-5H-pyrimido-[4,5-d]azepines as novel TRPV1 antagonists.

Bioorg Med Chem Lett 20: 7137-41 (2010)

Johnson & Johnson Pharmaceutical Research and Development LLC

2D 3D TSV

20947351

Inhibitors selective for HDAC6 in enzymes and cells.

Bioorg Med Chem Lett 20: 7067-70 (2010)

The University of Queensland

2D 3D TSV

20947349

A targeted low molecular weight near-infrared fluorescent probe for prostate cancer.

Bioorg Med Chem Lett 20: 7124-6 (2010)

Washington State University

2D 3D TSV

20945906

Diaryldiamines with dual inhibition of the histamine H(3) receptor and the norepinephrine transporter and the efficacy of 4-(3-(methylamino)-1-phenylpropyl)-6-(2-(pyrrolidin-1-yl)ethoxy)naphthalen-1-ol in pain.

J Med Chem 53: 7869-73 (2010)

Abbott Laboratories

2D 3D TSV

20945905

Design, synthesis, crystal structures, and antimicrobial activity of sulfonamide boronic acids asß-lactamase inhibitors.

J Med Chem 53: 7852-63 (2010)

University of California San Francisco

2D 3D TSV

20943405

Synthesis and evaluation of 5-substituted 9-hydroxypyrrolo[3,4-c]carbazole-1,3(2H,6H)-diones as check point 1 kinase inhibitors.

Bioorg Med Chem 18: 7878-89 (2010)

Hokkaido University

2D 3D TSV

20943404

1-Bromo-3-(1',1'-dimethylalkyl)-1-deoxy-¿(8)-tetrahydrocannabinols: New selective ligands for the cannabinoid CB(2) receptor.

Bioorg Med Chem 18: 7809-15 (2010)

Clemson University

2D 3D TSV

20943397

Molecular modeling study on potent and selective adenosine A(3) receptor agonists.

Bioorg Med Chem 18: 7923-30 (2010)

University of Camerino

2D 3D TSV

20943396

Anticonvulsant activity of 2,4(1H)-diarylimidazoles in mice and rats acute seizure models.

Bioorg Med Chem 18: 7957-65 (2010)

Università degli Studi di Parma

2D 3D TSV

20943395

4-Phenylcoumarins from Mesua elegans with acetylcholinesterase inhibitory activity.

Bioorg Med Chem 18: 7873-7 (2010)

University of Malaya

2D 3D TSV

20943391

Design, synthesis and biological evaluation of quinoline amide derivatives as novel VEGFR-2 inhibitors.

Bioorg Med Chem Lett 20: 6653-6 (2010)

Nanjing University

2D 3D TSV

20943390

Synthesis and biological evaluation of [D-lysine]8cyclosporin A analogs as potential anti-HCV agents.

Bioorg Med Chem Lett 20: 6542-6 (2010)

Scynexis Inc

2D 3D TSV

20943389

Triazolyl tryptoline derivatives asß-secretase inhibitors.

Bioorg Med Chem Lett 20: 6572-6 (2010)

Mahidol University

2D 3D TSV

20943388

Detection of Rap1A as a yessotoxin binding protein from blood cell membranes.

Bioorg Med Chem Lett 20: 6443-6 (2010)

Osaka University

2D 3D TSV

20943290

Synthesis and biological evaluation of new N-alkyl 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides as cannabinoid receptor ligands.

Eur J Med Chem 45: 5878-86 (2010)

Sapienza University of Rome

2D 3D TSV

20942472

Novel spirotetracyclic zwitterionic dual H(1)/5-HT(2A) receptor antagonists for the treatment of sleep disorders.

J Med Chem 53: 7778-95 (2010)

GlaxoSmithKline

2D 3D TSV

20942471

First in class, potent, and orally bioavailable NADPH oxidase isoform 4 (Nox4) inhibitors for the treatment of idiopathic pulmonary fibrosis.

J Med Chem 53: 7715-30 (2010)

Genkyotex S.A.

2D 3D TSV

20939767

Synthesis and SAR comparative studies of 2-allyl-4-methoxy-1-alkoxybenzenes as 15-lipoxygenase inhibitors.

J Enzyme Inhib Med Chem 26: 238-44 (2011)

Mashhad University of Medical Sciences

2D 3D TSV

20939765

The inhibition study of human UDP-glucuronosyltransferases with cytochrome P450 selective substrates and inhibitors.

J Enzyme Inhib Med Chem 26: 386-93 (2011)

Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences

2D 3D TSV

20939763

Synthesis and biological evaluation of polyhydroxy benzophenone as mushroom tyrosinase inhibitors.

J Enzyme Inhib Med Chem 26: 449-52 (2011)

Sun Yat-sen University

2D 3D TSV

20939540

Isolation and characterization of minor analogues of silvestrol and other constituents from a large-scale re-collection of Aglaia foveolata.

J Nat Prod 73: 1873-8 (2010)

The Ohio State University

2D 3D TSV

20937561

Halogenation of 4-hydroxy/amino-3-methoxyphenyl acetamide TRPV1 agonists showed enhanced antagonism to capsaicin.

Bioorg Med Chem 18: 8092-105 (2010)

Seoul National University

2D 3D TSV

20937560

Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4(3H)-ones as selective human A(1) adenosine receptor ligands.

Bioorg Med Chem 18: 7890-9 (2010)

Dipartimento di Scienze Farmaceutiche

2D 3D TSV

20936791

A diverse series of substituted benzenesulfonamides as aldose reductase inhibitors with antioxidant activity: design, synthesis, and in vitro activity.

J Med Chem 53: 7756-66 (2010)

Aristotle University of Thessaloniki

2D 3D TSV

20936789

Aminopyrazine inhibitors binding to an unusual inactive conformation of the mitotic kinase Nek2: SAR and structural characterization.

J Med Chem 53: 7682-98 (2010)

The Institute of Cancer Research

2D 3D TSV

20934874

Synthesis and molecular modelling studies of prenylated pyrazolines as MAO-B inhibitors.

Bioorg Med Chem Lett 20: 6479-82 (2010)

Sapienza University of Rome

2D 3D TSV

20934789

Synthesis anda1-adrenoceptor antagonist activity of tamsulosin analogues.

Eur J Med Chem 45: 5800-7 (2010)

Universit£ di Camerino

2D 3D TSV

20934348

BACE1 inhibitory activities of enantiomerically pure, variously substituted N-(3-(4-benzhydrylpiperazin-1-yl)-2-hydroxypropyl) arylsulfonamides.

Bioorg Med Chem 18: 7991-6 (2010)

University of Pisa

2D 3D TSV

20934346

Design, synthesis and bioevaluation of dihydropyrazolo[3,4-b]pyridine and benzo[4,5]imidazo[1,2-a]pyrimidine compounds as dual KSP and Aurora-A kinase inhibitors for anti-cancer agents.

Bioorg Med Chem 18: 8035-43 (2010)

China Pharmaceutical University

2D 3D TSV

20934345

Biflavonoids from Torreya nucifera displaying SARS-CoV 3CL(pro) inhibition.

Bioorg Med Chem 18: 7940-7 (2010)

Korea Research Institute of Bioscience and Biotechnology

2D 3D TSV

20934343

Design, syntheses and 3D-QSAR studies of novel N-phenyl pyrrolidin-2-ones and N-phenyl-1H-pyrrol-2-ones as protoporphyrinogen oxidase inhibitors.

Bioorg Med Chem 18: 7948-56 (2010)

Central China Normal University

2D 3D TSV

20934342

Structure-activity relationships for inhibition of inosine monophosphate dehydrogenase and differentiation induction of K562 cells among the mycophenolic acid derivatives.

Bioorg Med Chem 18: 8106-11 (2010)

Hokkaido University

2D 3D TSV

20934337

Tri- and tetrasubstituted imidazoles as p38a mitogen-activated protein kinase inhibitors.

Bioorg Med Chem Lett 20: 6671-5 (2010)

Eberhard-Karls University of Tübingen

2D 3D TSV

20934336

Kojyl thioether derivatives having both tyrosinase inhibitory and anti-inflammatory properties.

Bioorg Med Chem Lett 20: 6569-71 (2010)

AmorePacific Corporation

2D 3D TSV

20934335

New stilbenoid with inhibitory activity on viral neuraminidases from Erythrina addisoniae.

Bioorg Med Chem Lett 20: 6430-4 (2010)

Chosun University

2D 3D TSV

20934334

Substituted pyrazoles as novel sEH antagonist: investigation of key binding interactions within the catalytic domain.

Bioorg Med Chem Lett 20: 6379-83 (2010)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

20934333

Design, syntheses, and SAR of 2,8-diazaspiro[4.5]decanones as T-type calcium channel antagonists.

Bioorg Med Chem Lett 20: 6375-8 (2010)

Icagen Inc

2D 3D TSV

20934332

An in situ oxidation strategy towards overcoming hERG affinity.

Bioorg Med Chem Lett 20: 6400-4 (2010)

Pfizer Inc

2D 3D TSV

20934331

Identification of 2-oxo-N-(phenylmethyl)-4-imidazolidinecarboxamide antagonists of the P2X(7) receptor.

Bioorg Med Chem Lett 20: 6370-4 (2010)

GlaxoSmithKline

2D 3D TSV

20933419

Inhibition of Bfl-1 with N-aryl maleimides.

Bioorg Med Chem Lett 20: 6560-4 (2010)

Human BioMolecular Research Institute

2D 3D TSV

20933417

Syntheses of fluorescent imidazoquinoline conjugates as probes of Toll-like receptor 7.

Bioorg Med Chem Lett 20: 6384-6 (2010)

University of Kansas

2D 3D TSV

20933416

N-Substituted acetamidines and 2-methylimidazole derivatives as selective inhibitors of neuronal nitric oxide synthase.

Bioorg Med Chem Lett 20: 6495-9 (2010)

Università G. d'Annunzio

2D 3D TSV

20933415

Functionalized benzophenone, thiophene, pyridine, and fluorene thiosemicarbazone derivatives as inhibitors of cathepsin L.

Bioorg Med Chem Lett 20: 6610-5 (2010)

Baylor University

2D 3D TSV

20933414

Design, synthesis, and structure-activity relationship studies of N-arylsulfonyl morpholines as¿-secretase inhibitors.

Bioorg Med Chem Lett 20: 6606-9 (2010)

Merck Research Lab.

2D 3D TSV

20933413

2-Methyl-3-furanyl-4H-1,2,4-triazol-3-ylthioamides: a new class of selective orexin 2 antagonists.

Bioorg Med Chem Lett 20: 6405-7 (2010)

GlaxoSmithKline

2D 3D TSV

20933412

2-Aryl benzimidazoles: human SCD1-specific stearoyl coenzyme-A desaturase inhibitors.

Bioorg Med Chem Lett 20: 6366-9 (2010)

Merck Frosst Centre for Therapeutic Research

2D 3D TSV

20933411

Discovery of MK-0952, a selective PDE4 inhibitor for the treatment of long-term memory loss and mild cognitive impairment.

Bioorg Med Chem Lett 20: 6387-93 (2010)

Merck Frosst Centre for Therapeutic Research

2D 3D TSV

20933410

Discovery of highly potent and efficacious MC4R agonists with spiroindane N-Me-1,2,4-triazole privileged structures for the treatment of obesity.

Bioorg Med Chem Lett 20: 6524-32 (2010)

Merck Research Laboratories

2D 3D TSV

20933409

Arylpiperazine-containing pyrimidine 4-carboxamide derivatives targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant.

Bioorg Med Chem Lett 20: 6439-42 (2010)

Green Cross Corporation

2D 3D TSV

20932767

Building a MCHR1 homology model provides insight into the receptor-antagonist contacts that are important for the development of new anti-obesity agents.

Bioorg Med Chem 18: 7365-79 (2010)

Universidad de Navarra

2D 3D TSV

20932759

4,5-Dihydro-1H-pyrazolo[4,3-h]quinazolines as potent and selective Polo-like kinase 1 (PLK1) inhibitors.

Bioorg Med Chem Lett 20: 6489-94 (2010)

Nerviano Medical Sciences srl

2D 3D TSV

Development of novel inhibitors targeting HIF-1a towards anticancer drug discovery.

20932758

Bioorg Med Chem Lett 20: 6426-9 (2010)

Piramal Life Sciences

2D 3D TSV

20932750

1,2-diamino-ethane-substituted-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepines as TRPV1 antagonists with improved properties.

Bioorg Med Chem Lett 20: 7142-6 (2010)

Johnson & Johnson Pharmaceutical Research and Development LLC

2D 3D TSV

20932747

The rational design of a novel potent analogue of the 5'-AMP-activated protein kinase inhibitor compound C with improved selectivity and cellular activity.

Bioorg Med Chem Lett 20: 6394-9 (2010)

Ansaris

2D 3D TSV

20932746

Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution.

Bioorg Med Chem Lett 20: 6483-8 (2010)

Vernalis (R&D) Ltd

2D 3D TSV

20932745

Synthesis and pharmacological activity of 1,3,6-trisubstituted-4-oxo-1,4-dihydroquinoline-2-carboxylic acids as selective ET(A) antagonists.

Bioorg Med Chem Lett 20: 6840-4 (2010)

St. John's University

2D 3D TSV

20932609

Synthesis of novel chiral¿2-isoxazoline derivatives related to ABT-418 and estimation of their affinity at neuronal nicotinic acetylcholine receptor subtypes.

Eur J Med Chem 45: 5594-601 (2010)

Universit£ degli Studi di Milano

2D 3D TSV

20932009

5-Piperazinyl-3-sulfonylindazoles as potent and selective 5-hydroxytryptamine-6 antagonists.

J Med Chem 53: 7639-46 (2010)

Wyeth Research

2D 3D TSV

127

20931980

Identification of non-peptide malignant brain tumor (MBT) repeat antagonists by virtual screening of commercially available compounds.

J Med Chem 53: 7625-31 (2010)

University of North Carolina at Chapel Hill

2D 3D TSV

20931971

Discovery of dual inducible/neuronal nitric oxide synthase (iNOS/nNOS) inhibitor development candidate 4-((2-cyclobutyl-1H-imidazo[4,5-b]pyrazin-1-yl)methyl)-7,8-difluoroquinolin-2(1H)-one (KD7332) part 2: identification of a novel, potent, and selective series of benzimidazole-quinolinone iNOS/nNO

J Med Chem 53: 7739-55 (2010)

Kalypsys Inc

2D 3D TSV

155

20931963

Discovery of a novel 5-HT(3) antagonist/5-HT(1A) agonist 3-amino-5,6,7,8-tetrahydro-2-{4-[4-(quinolin-2-yl)piperazin-1-yl]butyl}quinazolin-4(3H)-one (TZB-30878) as an orally bioavailable agent for irritable bowel syndrome.

J Med Chem 53: 7549-63 (2010)

ASKA Pharmaceutical Co., Ltd

2D 3D TSV

112

20929261

Mammea E/BB, an isoprenylated dihydroxycoumarin protonophore that potently uncouples mitochondrial electron transport, disrupts hypoxic signaling in tumor cells.

J Nat Prod 73: 1868-72 (2010)

University of Mississippi

2D 3D TSV

20929256

Rational design, synthesis, and evaluation of new selective inhibitors of microbial class II (zinc dependent) fructose bis-phosphate aldolases.

J Med Chem 53: 7836-42 (2010)

Paris-Sud University

2D 3D TSV

20926301

Indapamide-like benzenesulfonamides as inhibitors of carbonic anhydrases I, II, VII, and XIII.

Bioorg Med Chem 18: 7357-64 (2010)

Institute of Biotechnology

2D 3D TSV

20926294

3-Urea-1-(phenylmethyl)-pyridones as novel, potent, and selective EP3 receptor antagonists.

Bioorg Med Chem Lett 20: 6744-7 (2010)

GlaxoSmithKline

2D 3D TSV

20926163

Molecular docking and QSAR study on steroidal compounds as aromatase inhibitors.

Eur J Med Chem 45: 5612-20 (2010)

Tianjin University of Science and Technology

2D 3D TSV

20926162

Old phenothiazine and dibenzothiadiazepine derivatives for tomorrow's neuroprotective therapies against neurodegenerative diseases.

Eur J Med Chem 45: 6152-8 (2010)

Instituto de Qu£mica M£dica

2D 3D TSV

20926161

Novel alkyl- and arylcarbamate derivatives with N-benzylpiperidine and N-benzylpiperazine moieties as cholinesterases inhibitors.

Eur J Med Chem 45: 5602-11 (2010)

Jagiellonian University Medical College

2D 3D TSV

20925434

Novel 1',1'-chain substituted hexahydrocannabinols: 9ß-hydroxy-3-(1-hexyl-cyclobut-1-yl)-hexahydrocannabinol (AM2389) a highly potent cannabinoid receptor 1 (CB1) agonist.

J Med Chem 53: 6996-7010 (2010)

Northeastern University

2D 3D TSV

20925433

Toward the development of innovative bifunctional agents to induce differentiation and to promote apoptosis in leukemia: clinical candidates and perspectives.

J Med Chem 53: 6779-810 (2010)

Aristotle University of Thessaloniki

2D 3D TSV

20925410

Fruitful adrenergica(2C)-agonism/a(2A)-antagonism combination to prevent and contrast morphine tolerance and dependence.

J Med Chem 53: 7825-35 (2010)

Universita` di Camerino

2D 3D TSV

20921316

Mechanistic studies of the inactivation of TEM-1 and P99 by NXL104, a novel non-beta-lactam beta-lactamase inhibitor.

Antimicrob Agents Chemother 54: 5132-8 (2010)

Novexel SA

2D 3D TSV

20919678

Design, synthesis, and evaluation of indolinones as inhibitors of the transforming growth factorß receptor I (TGFßRI).

J Med Chem 53: 7287-95 (2010)

Boehringer Ingelheim Pharma GmbH & Co. KG

2D 3D TSV

109

20889498

Structural and biochemical characterization of Mycobacterium tuberculosis CYP142: evidence for multiple cholesterol 27-hydroxylase activities in a human pathogen.

J Biol Chem 285: 38270-82 (2010)

Manchester Interdisciplinary Biocentre

2D 3D TSV

20889348

Fluorescent-tagged sp2-iminosugars with potentß-glucosidase inhibitory activity.

Bioorg Med Chem 18: 7439-45 (2010)

Universidad de Sevilla

2D 3D TSV

20889347

3D QSAR study, synthesis, and in vitro evaluation of (+)-5-FBVM as potential PET radioligand for the vesicular acetylcholine transporter (VAChT).

Bioorg Med Chem 18: 7659-67 (2010)

University of Tours

2D 3D TSV

20889345

4-[N-(substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII.

Bioorg Med Chem 18: 7413-21 (2010)

Vilnius University

2D 3D TSV

20889341

Discovery of 2-substituted benzoxazole carboxamides as 5-HT3 receptor antagonists.

Bioorg Med Chem Lett 20: 6538-41 (2010)

AMRI

2D 3D TSV

20889239

Massive screening yields novel and selective Trypanosoma cruzi triosephosphate isomerase dimer-interface-irreversible inhibitors with anti-trypanosomal activity.

Eur J Med Chem 45: 5767-72 (2010)

Universidad de la Rep£blica

2D 3D TSV

20888766

Novel selective anti-androgens with a diphenylpentane skeleton.

Bioorg Med Chem Lett 20: 6661-6 (2010)

The University of Tokyo

2D 3D TSV

20888765

Bromophenols as Candida albicans isocitrate lyase inhibitors.

Bioorg Med Chem Lett 20: 6644-8 (2010)

Seoul National University

2D 3D TSV

20888763

Synthesis and evaluation of bivalent, peptidomimetic antagonists of theavß3 integrins.

Bioorg Med Chem Lett 20: 6577-80 (2010)

The Methodist Hospital Research Institute

2D 3D TSV

20888762

Identification of a red-emitting fluorescent ligand for in vitro visualization of human serotonin 5-HT(1A) receptors.

Bioorg Med Chem Lett 20: 6628-32 (2010)

Università degli Studi di Bari A. Moro

2D 3D TSV

20888243

Design of more potent squalene synthase inhibitors with multiple activities.

Bioorg Med Chem 18: 7402-12 (2010)

University of Athens

2D 3D TSV

20888240

Design, synthesis, and subtype selectivity of 3,6-disubstitutedß-carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents for treatment of alcohol abuse.

Bioorg Med Chem 18: 7548-64 (2010)

University of Wisconsin-Milwaukee

2D 3D TSV

254

20888225

Discovery of a vorapaxar analog with increased aqueous solubility.

Bioorg Med Chem Lett 20: 6676-9 (2010)

Merck Research Laboratories

2D 3D TSV

20888224

Discovery and SAR of a series of 4,6-diamino-1,3,5-triazin-2-ol as novel non-nucleoside reverse transcriptase inhibitors of HIV-1.

Bioorg Med Chem Lett 20: 6592-6 (2010)

Ansaris

2D 3D TSV

20888086

Convenient synthesis and biological profile of 5-amino-substituted 1,2,4-oxadiazole derivatives.

Eur J Med Chem 45: 5635-45 (2010)

Democritus University of Thrace

2D 3D TSV

20886838

C-Methylated Flavonoids from Cleistocalyx operculatus and Their Inhibitory Effects on Novel Influenza A (H1N1) Neuraminidase.

J Nat Prod 73: 1636-42 (2010)

Chosun University

2D 3D TSV

20884208

Design and synthesis of novel pyrimidine hydroxamic acid inhibitors of histone deacetylases.

Bioorg Med Chem Lett 20: 6657-60 (2010)

Chroma Therapeutics

2D 3D TSV

20884092

Synthesis, biological evaluation and docking studies of 4-amino-tetrahydroquinazolino[3,2-e]purine derivatives.

Eur J Med Chem 45: 5678-84 (2010)

University of Lille

2D 3D TSV

20883026

An o-aminoanilide analogue of 1a,25-dihydroxyvitamin D(3) functions as a strong vitamin D receptor antagonist.

J Med Chem 53: 7461-5 (2010)

McGill University

2D 3D TSV

20882962

Targeted mutations of Bacillus anthracis dihydrofolate reductase condense complex structure-activity relationships.

J Med Chem 53: 7327-36 (2010)

University of Connecticut

2D 3D TSV

20880712

Design, solid-phase synthesis, and biological evaluation of novel 1,5-diarylpyrrole-3-carboxamides as carbonic anhydrase IX inhibitors.

Bioorg Med Chem 18: 7392-401 (2010)

University of Lille

2D 3D TSV

20880707

Identification of 9-fluoro substituted (-)-cytisine derivatives as ligands with high affinity for nicotinic receptors.

Bioorg Med Chem Lett 20: 6667-70 (2010)

ENSICAEN-Université de Caen Basse-Normandie

2D 3D TSV

20880704

Design and synthesis of aminohydantoins as potent and selective humanß-secretase (BACE1) inhibitors with enhanced brain permeability.

Bioorg Med Chem Lett 20: 6597-605 (2010)

Pfizer Inc

2D 3D TSV

200

20880702

Berberine derivatives, with substituted amino groups linked at the 9-position, as inhibitors of acetylcholinesterase/butyrylcholinesterase.

Bioorg Med Chem Lett 20: 6649-52 (2010)

Sun Yat-sen University

2D 3D TSV

20879744

(Z)-3-butylidenephthalide from Ligusticum porteri , ana-glucosidase inhibitor.

J Nat Prod 74: 314-20 (2011)

Universidad Nacional Auto£?noma de Me£?xico

2D 3D TSV

20879713

Kinetics and inhibition of nicotinamidase from Mycobacterium tuberculosis.

Biochemistry 49: 9613-9 (2010)

Albert Einstein College of Medicine

2D 3D TSV

20875744

Synthesis and biological evaluation of radio-iodinated benzimidazoles as SPECT imaging agents for NR2B subtype of NMDA receptor.

Bioorg Med Chem 18: 7497-506 (2010)

Hamamatsu University School of Medicine

2D 3D TSV

20875743

Discovery of {1-[4-(2-{hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl}-1H-benzimidazol-1-yl)piperidin-1-yl]cyclooctyl}methanol, systemically potent novel non-peptide agonist of nociceptin/orphanin FQ receptor as analgesic for the treatment of neuropathic pain: design, synthesis, and structure-activity rela

Bioorg Med Chem 18: 7675-99 (2010)

Pfizer Inc

2D 3D TSV

20875738

5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidines as novel class of potent and highly selective CaMKII inhibitors.

Bioorg Med Chem Lett 20: 6696-8 (2010)

Dainippon Sumitomo Pharma Co., Ltd

2D 3D TSV

20873795

J Med Chem 53: 7377-91 (2010)

Simon Fraser University

2D 3D TSV

20873792

Novel agonists and antagonists for human protease activated receptor 2.

J Med Chem 53: 7428-40 (2010)

The University of Queensland

2D 3D TSV

20873775

Assessment of structurally diverse philanthotoxin analogues for inhibitory activity on ionotropic glutamate receptor subtypes: discovery of nanomolar, nonselective, and use-dependent antagonists.

J Med Chem 53: 7441-51 (2010)

University of Copenhagen

2D 3D TSV

20873740

Cdc7 kinase inhibitors: 5-heteroaryl-3-carboxamido-2-aryl pyrroles as potential antitumor agents. 1. Lead finding.

J Med Chem 53: 7296-315 (2010)

Nerviano Medical Sciences srl

2D 3D TSV

Design, synthesis, radiolabeling, and in vivo evaluation of carbon-11 labeled N-[2-[4-(3-cyanopyridin-2-yl)piperazin-1-yl]ethyl]-3-methoxybenzamide, a potential positron emission tomography tracer for the dopamine D(4) receptors.

20873719

J Med Chem 53: 7344-55 (2010)

Universita` degli Studi di Bari A Moro

2D 3D TSV

20870413

Synthesis and evaluation of benzoxazole derivatives as 5-lipoxygenase inhibitors.

Bioorg Med Chem 18: 7580-5 (2010)

Ewha Womans University

2D 3D TSV

20870405

Discovery of a potent and selective Bcl-2 inhibitor using SAR by NMR.

Bioorg Med Chem Lett 20: 6587-91 (2010)

Abbott Laboratories

2D 3D TSV

20869873

3D-QSAR and docking studies on pyrazolo[4,3-h]qinazoline-3-carboxamides as cyclin-dependent kinase 2 (CDK2) inhibitors.

Bioorg Med Chem Lett 20: 6764-72 (2010)

Jinan University

2D 3D TSV

20869872

Potent and selective HIV-1 ribonuclease H inhibitors based on a 1-hydroxy-1,8-naphthyridin-2(1H)-one scaffold.

Bioorg Med Chem Lett 20: 6754-7 (2010)

Merck and Co.

2D 3D TSV

20869793

Pharmacophore modeling and virtual screening studies for new VEGFR-2 kinase inhibitors.

Eur J Med Chem 45: 5420-7 (2010)

Konkuk University

2D 3D TSV

20869254

9-Dihydroerythromycin ethers as motilin agonists--developing structure-activity relationships for potency and safety.

Bioorg Med Chem 18: 7651-8 (2010)

Kosan Biosciences Inc

2D 3D TSV

20869242

Discovery of 2-aminoimidazopyridine adenosine A(2A) receptor antagonists.

Bioorg Med Chem Lett 20: 6845-9 (2010)

Ligand Pharmaceuticals Inc

2D 3D TSV

20866075

Discovery of potent and selective inhibitors of human reticulocyte 15-lipoxygenase-1.

J Med Chem 53: 7392-404 (2010)

National Human Genome Research Institute

2D 3D TSV

20864344

Discovery and optimization of adamantyl carbamate inhibitors of 11ß-HSD1.

Bioorg Med Chem Lett 20: 6725-9 (2010)

Vitae Pharmaceuticals

2D 3D TSV

110

20864343

Development of the next generation of HIV-1 integrase inhibitors: pyrazolone as a novel inhibitor scaffold.

Bioorg Med Chem Lett 20: 6854-7 (2010)

University of Southern California

2D 3D TSV

20864339

Antidotes to anthrax lethal factor intoxication. Part 1: Discovery of potent lethal factor inhibitors with in vivo efficacy.

Bioorg Med Chem Lett 20: 6850-3 (2010)

PanThera Biopharma, LLC

2D 3D TSV

20860527

Synthesis and characterisation of two novel proton transfer compounds and their inhibition studies on carbonic anhydrase isoenzymes.

J Enzyme Inhib Med Chem 26: 104-14 (2011)

Dumlupinar University

2D 3D TSV

20860381

Novel pyridylmethylamines as highly selective 5-HT(1A) superagonists.

J Med Chem 53: 7167-79 (2010)

Friedrich-Alexander University

2D 3D TSV

20860370

Discovery of 1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one as a highly potent, selective mammalian target of rapamycin (mTOR) inhibitor for the treatment of cancer.

J Med Chem 53: 7146-55 (2010)

Dana-Farber Cancer Institute Inc

2D 3D TSV

20857914

Design and synthesis of prolylcarboxypeptidase (PrCP) inhibitors to validate PrCP as a potential target for obesity.

J Med Chem 53: 7251-63 (2010)

Merck Research Laboratories

2D 3D TSV

20857912

Structure-activity relationship study of first selective inhibitor of excitatory amino acid transporter subtype 1: 2-Amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (UCPH-101).

J Med Chem 53: 7180-91 (2010)

University of Copenhagen

2D 3D TSV

20857909

Exploring the neuroleptic substituent in octoclothepin: potential ligands for positron emission tomography with subnanomolar affinity fora(1)-adrenoceptors.

J Med Chem 53: 7021-34 (2010)

University of Copenhagen

2D 3D TSV

2-Hexadecynoic acid inhibits plasmodial FAS-II enzymes and arrests erythrocytic and liver stage Plasmodium infections.

20855214

Bioorg Med Chem 18: 7475-85 (2010)

University of London

2D 3D TSV

20855212

Evaluation of amide replacements in CCR5 antagonists as a means to increase intrinsic permeability. Part 2: SAR optimization and pharmacokinetic profile of a homologous azacyle series.

Bioorg Med Chem Lett 20: 6802-7 (2010)

Roche Palo Alto

2D 3D TSV

20855211

Subtype-selective Na(v)1.8 sodium channel blockers: identification of potent, orally active nicotinamide derivatives.

Bioorg Med Chem Lett 20: 6812-5 (2010)

Abbott Laboratories

2D 3D TSV

20855207

Discovery of orally bioavailable imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors.

Bioorg Med Chem Lett 20: 6739-43 (2010)

Merck Research Laboratories

2D 3D TSV

20853847

Aldehyde oxidase: an enzyme of emerging importance in drug discovery.

J Med Chem 53: 8441-60 (2010)

Pfizer Inc

2D 3D TSV

20851614

Synthesis of novel 3-amino and 29-hydroxamic acid derivatives of glycyrrhetinic acid as selective 11ß-hydroxysteroid dehydrogenase 2 inhibitors.

Bioorg Med Chem 18: 7522-41 (2010)

University of Natural Resources and Applied Life Sciences

2D 3D TSV

20851601

Discovery of N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4,5-dihydro-6H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepin-6-yl]-N-isopropylacetamide, an orally active, gut-selective CCK1 receptor agonist for the potential treatment of obesity.

Bioorg Med Chem Lett 20: 6797-801 (2010)

Pfizer Inc

2D 3D TSV

20851599

Design, synthesis and structure-activity relationship of novel quinoxalin-2-carboxamides as 5-HT3 receptor antagonists for the management of depression.

Bioorg Med Chem Lett 20: 6773-6 (2010)

Birla Institute of Technology

2D 3D TSV

20850973

Novel CGRP receptor antagonists from central amide replacements causing a reversal of preferred chirality.

Bioorg Med Chem Lett 20: 6827-30 (2010)

Merck & Co.

2D 3D TSV

20850972

Rational design of novel pyrrolidine derivatives as orally active neurokinin-3 receptor antagonists.

Bioorg Med Chem Lett 20: 6735-8 (2010)

F. Hoffmann-La Roche Inc

2D 3D TSV

20850970

Novel thiazolidinedione derivatives with anti-obesity effects: dual action as PTP1B inhibitors and PPAR-¿ activators.

Bioorg Med Chem Lett 20: 6758-63 (2010)

Inha University

2D 3D TSV

20850969

Expansion of SAR studies on triaryl bis sulfone cannabinoid CB2 receptor ligands.

Bioorg Med Chem Lett 20: 6785-9 (2010)

Merck Research Laboratories

2D 3D TSV

20850315

Molecular docking and structure-activity relationship studies on benzothiazole based non-peptidic BACE-1 inhibitors.

Bioorg Med Chem Lett 20: 6203-7 (2010)

Singapore Polytechnic

2D 3D TSV

20850311

Indole alkaloids from Ervatamia hainanensis with potent acetylcholinesterase inhibition activities.

Bioorg Med Chem Lett 20: 6185-7 (2010)

Zhejiang University

2D 3D TSV

20850307

Design and synthesis of KNT-127, ad-opioid receptor agonist effective by systemic administration.

Bioorg Med Chem Lett 20: 6302-5 (2010)

Kitasato University

2D 3D TSV

20850304

Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Bioorg Med Chem Lett 20: 6306-9 (2010)

Stony Brook University

2D 3D TSV

20850301

Inhibitors of the tyrosine kinase EphB4. Part 3: identification of non-benzodioxole-based kinase inhibitors.

Bioorg Med Chem Lett 20: 6242-5 (2010)

AstraZeneca

2D 3D TSV

20850300

Discovery and optimization of a new class of potent and non-chiral indole-3-carboxamide-based renin inhibitors.

Bioorg Med Chem Lett 20: 6268-72 (2010)

Sanofi-Aventis Deutschland GmbH

2D 3D TSV

20850205

Structure-based optimization and biological evaluation of human 20a-hydroxysteroid dehydrogenase (AKR1C1) salicylic acid-based inhibitors.

Eur J Med Chem 45: 5309-17 (2010)

Monash University (Parkville Campus)

2D 3D TSV

20846868

Anti-AIDS agents 84. Synthesis and anti-human immunodeficiency virus (HIV) activity of 2'-monomethyl-4-methyl- and 1'-thia-4-methyl-(3'R,4'R)-3',4'-di-O-(S)-camphanoyl-(+)-cis-khellactone (DCK) analogs.

Bioorg Med Chem 18: 7203-11 (2010)

Fudan University

2D 3D TSV

20846865

Quantitative structure-activity relationship studies of threo-methylphenidate analogs.

Bioorg Med Chem 18: 7221-38 (2010)

Institute of Technology

2D 3D TSV

20846863

New non-hydroxamic ADAMTS-5 inhibitors based on the 1,2,4-triazole-3-thiol scaffold.

Bioorg Med Chem Lett 20: 6213-6 (2010)

University of Lille

2D 3D TSV

20846861

Discovery of a series of potent, orally activea,a-disubstituted piperidine NK(1) antagonists.

Bioorg Med Chem Lett 20: 6313-5 (2010)

Merck Research Laboratories

2D 3D TSV

20846091

A FLT3-inhibitory constituent from the rhizomes of Anemarrhena asphodeloides.

J Enzyme Inhib Med Chem 26: 445-8 (2011)

Gyeongsang National University

2D 3D TSV

20845959

Synthesis and biological evaluation of bivalent ligands for the cannabinoid 1 receptor.

J Med Chem 53: 7048-60 (2010)

Research Triangle Institute

2D 3D TSV

20845907

Development of molecular probes for the human 5-HT(6) receptor.

J Med Chem 53: 7095-106 (2010)

Universidad Complutense de Madrid

2D 3D TSV

20843696

Improvement of water-solubility of biarylcarboxylic acid peroxisome proliferator-activated receptor (PPAR)d-selective partial agonists by disruption of molecular planarity/symmetry.

Bioorg Med Chem 18: 7164-73 (2010)

The University of Tokyo

2D 3D TSV

20843694

Design, synthesis, biological evaluation, and modeling of a non-carbohydrate antagonist of the myelin-associated glycoprotein.

Bioorg Med Chem 18: 7239-51 (2010)

University of Basel

2D 3D TSV

20843691

Indole- and benzothiophene-based histamine H3 antagonists.

Bioorg Med Chem Lett 20: 6226-30 (2010)

Johnson & Johnson Pharmaceutical Research & Development

2D 3D TSV

20843690

Piperidine-based renin inhibitors: upper chain optimization.

Bioorg Med Chem Lett 20: 6291-6 (2010)

Actelion Pharmaceuticals Ltd

2D 3D TSV

20843688

'Click' assembly of selective inhibitors for MAO-A.

Bioorg Med Chem Lett 20: 6222-5 (2010)

Zhejiang University

2D 3D TSV

20843687

Optimisation of 2-cyano-pyrimidine inhibitors of cathepsin K: improving selectivity over hERG.

Bioorg Med Chem Lett 20: 6237-41 (2010)

Merck Research Laboratories

2D 3D TSV

20843686

Design and optimization of new piperidines as renin inhibitors.

Bioorg Med Chem Lett 20: 6286-90 (2010)

Actelion Pharmaceuticals Ltd

2D 3D TSV

20839777

Positive allosteric modulators of thea-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptor.

J Med Chem 53: 7271-9 (2010)

Merck Research Laboratories

2D 3D TSV

20839776

Bioisosteric replacement leading to biologically active [2.2]paracyclophanes with altered binding profiles for aminergic G-protein-coupled receptors.

J Med Chem 53: 7219-28 (2010)

Friedrich-Alexander University

2D 3D TSV

Exploration of the amine terminus in a novel series of 1,2,4-triazolo-3-yl-azabicyclo[3.1.0]hexanes as selective dopamine D3 receptor antagonists.

20839775

J Med Chem 53: 7129-39 (2010)

GlaxoSmithKline

2D 3D TSV

20836557

Discovery of small molecule inhibitors of the PH domain leucine-rich repeat protein phosphatase (PHLPP) by chemical and virtual screening.

J Med Chem 53: 6899-911 (2010)

University of California San Diego

2D 3D TSV

20836515

An Optimized Immunoaffinity Fluorescent Method for Natural Product Target Elucidation.

J Nat Prod (2010)

University of California

2D 3D TSV

20833551

N-phenyl-N'-[4-(5H-pyrrolo[3,2-d]pyrimidin-4-yloxy)phenyl]ureas as novel inhibitors of VEGFR and FGFR kinases.

Bioorg Med Chem 18: 7150-63 (2010)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

20833547

Structure-based design of imidazo[1,2-a]pyrazine derivatives as selective inhibitors of Aurora-A kinase in cells.

Bioorg Med Chem Lett 20: 5988-93 (2010)

The Institute of Cancer Research

2D 3D TSV

20833546

Paraoxon, 4-nitrophenyl phosphate and acetate are substrates ofa- but not ofß-,¿- and¿-carbonic anhydrases.

Bioorg Med Chem Lett 20: 6208-12 (2010)

Università degli Studi di Firenze

2D 3D TSV

20833542

Peripheral but crucial: a hydrophobic pocket (Tyr(706), Leu(337), and Met(336)) for potent and selective inhibition of neuronal nitric oxide synthase.

Bioorg Med Chem Lett 20: 6258-61 (2010)

Northwestern University

2D 3D TSV

20833055

Design, synthesis, and evaluation of 5-methyl-4-phenoxy-5H-pyrrolo[3,2-d]pyrimidine derivatives: novel VEGFR2 kinase inhibitors binding to inactive kinase conformation.

Bioorg Med Chem 18: 7260-73 (2010)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

20833043

Investigation of 4-piperidinols as novel H3 antagonists.

Bioorg Med Chem Lett 20: 6246-9 (2010)

Athersys Inc

2D 3D TSV

20833042

Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors.

Bioorg Med Chem Lett 20: 6273-6 (2010)

Bristol-Myers Squibb Research and Development

2D 3D TSV

20833041

Design of an orally efficacious hydroxyethylamine (HEA) BACE-1 inhibitor in a preclinical animal model.

Bioorg Med Chem Lett 20: 6231-6 (2010)

Elan Pharmaceuticals

2D 3D TSV

20833039

Novel azulene-based derivatives as potent multi-receptor tyrosine kinase inhibitors.

Bioorg Med Chem Lett 20: 6129-32 (2010)

Industrial Technology Research Institute

2D 3D TSV

20833038

Discovery of pyrrolopyridazines as novel DGAT1 inhibitors.

Bioorg Med Chem Lett 20: 6030-3 (2010)

Amgen Inc

2D 3D TSV

20833036

Thienopyrimidines asß3-adrenoceptor agonists: hit-to-lead optimization.

Bioorg Med Chem Lett 20: 6108-15 (2010)

4SC AG

2D 3D TSV

221

20832326

Synthesis and biological evaluation of a series of aromatic bisphosphonates.

Bioorg Med Chem 18: 7212-20 (2010)

University of Iowa

2D 3D TSV

20832307

Pyrazolobenzodiazepines: part I. Synthesis and SAR of a potent class of kinase inhibitors.

Bioorg Med Chem Lett 20: 5984-7 (2010)

Hoffmann-La Roche Inc

2D 3D TSV

20832306

Design and synthesis of a new class of malonyl-CoA decarboxylase inhibitors with anti-obesity and anti-diabetic activities.

Bioorg Med Chem Lett 20: 6088-92 (2010)

Merck Research Laboratories

2D 3D TSV

20832304

Validated predictive QSAR modeling of N-aryl-oxazolidinone-5-carboxamides for anti-HIV protease activity.

Bioorg Med Chem Lett 20: 6082-7 (2010)

Jadavpur University

2D 3D TSV

20832301

Isoform-selective inhibition of chrysin towards human cytochrome P450 1A2. Kinetics analysis, molecular docking, and molecular dynamics simulations.

Bioorg Med Chem Lett 20: 6008-12 (2010)

Sun Yat-sen University

2D 3D TSV

20829430

Interference with bile salt export pump function is a susceptibility factor for human liver injury in drug development.

Toxicol Sci 118: 485-500 (2010)

Amgen Inc

2D 3D TSV

218

20829038

Exploration of piperidine-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-Phenyl derivatives with broad potency against resistant mutant viruses.

Bioorg Med Chem Lett 20: 6020-3 (2010)

Roche R&D Center China

2D 3D TSV

20828889

Synthesis, antioxidant activities and urease inhibition of some new 1,2,4-triazole and 1,3,4-thiadiazole derivatives.

Eur J Med Chem 45: 5200-7 (2010)

Quaid-i-Azam University

2D 3D TSV

20828184

Characterization of Acetylcholinesterase Inhibitory Constituents from Annona glabra Assisted by HPLC Microfractionation.

J Nat Prod (2010)

National Taiwan University

2D 3D TSV

20828158

Expanding the diversity of allosteric bcr-abl inhibitors.

J Med Chem 53: 6934-46 (2010)

Harvard Medical School

2D 3D TSV

20828128

Surface plasmon resonance biosensor based fragment screening using acetylcholine binding protein identifies ligand efficiency hot spots (LE hot spots) by deconstruction of nicotinic acetylcholine receptora7 ligands.

J Med Chem 53: 7192-201 (2010)

VU University Amsterdam

2D 3D TSV

20827790

A novel competitive class of α-glucosidase inhibitors: (E)-1-phenyl-3-(4-styrylphenyl)urea derivatives.

Chembiochem 11: 2125-31 (2010)

Gyeongsang National University

2D 3D TSV

20826091

20-Aminosteroids as a novel class of selective and complete androgen receptor antagonists and inhibitors of prostate cancer cell growth.

Bioorg Med Chem 18: 6960-9 (2010)

Universität Leipzig

2D 3D TSV

20826090

Design, synthesis, and binding of homologated truncated 4'-thioadenosine derivatives at the human A3 adenosine receptors.

Bioorg Med Chem 18: 7015-21 (2010)

Ewha Womans University

2D 3D TSV

20825218

Synthesis and biological activity of pyrido[3',2':4,5]thieno[3,2-d]pyrimidines as phosphodiesterase type 4 inhibitors.

J Med Chem 53: 6912-22 (2010)

Rhône-Poulenc Rorer

2D 3D TSV

20824690

Optimised expression and spectral analysis of the target enzyme CYP51 from Penicillium digitatum with possible new DMI fungicides.

Pest Manag Sci 66: 1344-50 (2010)

Central China Normal University

2D 3D TSV

20823284

Preclinical characterization of BI 201335, a C-terminal carboxylic acid inhibitor of the hepatitis C virus NS3-NS4A protease.

Antimicrob Agents Chemother 54: 4611-8 (2010)

Boehringer Ingelheim (Canada) Ltd

2D 3D TSV

20822912

OGA inhibition by GlcNAc-selenazoline.

Bioorg Med Chem 18: 7058-64 (2010)

Daegu University

2D 3D TSV

20822906

A stereo-controlled synthesis of 2,4-dimethyl-4-hydroxy-16-phenylhexadecanoic acid 1,4-lactone and its PPAR activities.

Bioorg Med Chem Lett 20: 6017-9 (2010)

Seoul National University

2D 3D TSV

20822905

Structure-based optimization of pyrazolo-pyrimidine and -pyridine inhibitors of PI3-kinase.

Bioorg Med Chem Lett 20: 6048-51 (2010)

Genentech

2D 3D TSV

20822903

Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: structure-activity relationship of the aryl region.

Bioorg Med Chem Lett 20: 6034-9 (2010)

Elan Pharmaceuticals

2D 3D TSV

20822901

Structural basis for binding of cyclic 2-oxoglutarate analogues to factor-inhibiting hypoxia-inducible factor.

Bioorg Med Chem Lett 20: 6125-8 (2010)

University of Oxford

2D 3D TSV

20822184

Chemistry and pharmacological characterization of novel nitrogen analogues of AMOP-H-OH (Sazetidine-A, 6-[5-(azetidin-2-ylmethoxy)pyridin-3-yl]hex-5-yn-1-ol) asa4ß2-nicotinic acetylcholine receptor-selective partial agonists.

J Med Chem 53: 6973-85 (2010)

University of Illinois at Chicago

2D 3D TSV

20822181

Structure-based design and synthesis of potent, ethylenediamine-based, mammalian farnesyltransferase inhibitors as anticancer agents.

J Med Chem 53: 6867-88 (2010)

Yale University

2D 3D TSV

189

20817735

Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation.

J Biol Chem 285: 35900-9 (2010)

Commissariat à l'Energie Atomique

2D 3D TSV

20817538

Structural resemblances and comparisons of the relative pharmacological properties of imatinib and nilotinib.

Bioorg Med Chem 18: 6977-86 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20817523

Substituted 4-amino-1H-pyrazolo[3,4-d]pyrimidines as multi-targeted inhibitors of insulin-like growth factor-1 receptor (IGF1R) and members of ErbB-family receptor kinases.

Bioorg Med Chem Lett 20: 6067-71 (2010)

Abbott Laboratories

2D 3D TSV

20817521

A novel series of positive modulators of the AMPA receptor: structure-based lead optimization.

Bioorg Med Chem Lett 20: 6072-5 (2010)

Merck Research Laboratories

2D 3D TSV

20817520

Role of the phenolic hydroxyl group in the biological activities of simplified analogue of aplysiatoxin with antiproliferative activity.

Bioorg Med Chem Lett 20: 6064-6 (2010)

Kyoto University

2D 3D TSV

20817518

Synthesis and in vitro evaluation of N-alkyl-7-methoxytacrine hydrochlorides as potential cholinesterase inhibitors in Alzheimer disease.

Bioorg Med Chem Lett 20: 6093-5 (2010)

Charles University

2D 3D TSV

20817473

Thieno[3,2-c]pyrazoles: a novel class of Aurora inhibitors with favorable antitumor activity.

Bioorg Med Chem 18: 7113-20 (2010)

Nerviano Medical Sciences Oncology

2D 3D TSV

20817450

Fatty acid synthase inhibitors of phenolic constituents isolated from Garcinia mangostana.

Bioorg Med Chem Lett 20: 6045-7 (2010)

Chinese Academy of Sciences

2D 3D TSV

20817449

4-methylpteridinones as orally active and selective PI3K/mTOR dual inhibitors.

Bioorg Med Chem Lett 20: 6096-9 (2010)

Pfizer Inc

2D 3D TSV

20817362

Exploring new inhibitors of Plasmodium falciparum purine nucleoside phosphorylase.

Eur J Med Chem 45: 5140-9 (2010)

Instituto de Parasitología y Biomedicina López-Neyra

2D 3D TSV

20817325

Synthesis and characterization of a iodine-125-labeled pyrrolo[1,2-a]thieno[3,2-e]pyrazine and evaluation as a potential 5-HT4R SPECT tracer.

Eur J Med Chem 45: 5465-7 (2010)

Universit£ de Caen Basse-Normandie

2D 3D TSV

20813948

Spiroindolones, a potent compound class for the treatment of malaria.

Science 329: 1175-80 (2010)

Swiss Tropical and Public Health Institute

2D 3D TSV

20813534

Synthesis, anti-fungal and 1,3-ß-D-glucan synthase inhibitory activities of caffeic and quinic acid derivatives.

Bioorg Med Chem 18: 7009-14 (2010)

Inner Mongolia University

2D 3D TSV

20813529

Search for influence of spatial properties on affinity ata1-adrenoceptor subtypes for phenylpiperazine derivatives of phenytoin.

Bioorg Med Chem Lett 20: 6152-6 (2010)

Jagiellonian University Medical College

2D 3D TSV

20813526

Synthesis and biological evaluation of a novel series of bis-salicylaldehydes as mushroom tyrosinase inhibitors.

Bioorg Med Chem Lett 20: 6138-40 (2010)

Universit£ degli Studi di Cagliari

2D 3D TSV

20813523

Discovery and structure-activity relationship of a novel spirocarbamate series of NPY Y5 antagonists.

Bioorg Med Chem Lett 20: 6103-7 (2010)

GlaxoSmithKline

2D 3D TSV

20813522

Elucidation of the active conformation of the amino terminus of receptor-bound secretin using intramolecular disulfide bond constraints.

Bioorg Med Chem Lett 20: 6040-4 (2010)

Mayo Clinic

2D 3D TSV

20813430

Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays.

Eur J Med Chem 45: 4845-55 (2010)

Instituto Politécnico Nacional

2D 3D TSV

20812729

Identification of selective norbornane-type aspartate analogue inhibitors of the glutamate transporter 1 (GLT-1) from the chemical universe generated database (GDB).

J Med Chem 53: 7236-50 (2010)

University of Berne

2D 3D TSV

20812727

Synthesis, structure-affinity relationships, and radiolabeling of selective high-affinity 5-HT4 receptor ligands as prospective imaging probes for positron emission tomography.

J Med Chem 53: 7035-47 (2010)

National Institute of Mental Health

2D 3D TSV

157

20812725

1-Aryl-3-(1-acylpiperidin-4-yl)urea inhibitors of human and murine soluble epoxide hydrolase: structure-activity relationships, pharmacokinetics, and reduction of inflammatory pain.

J Med Chem 53: 7067-75 (2010)

Department of Entomology and University of California Davis Cancer Center

2D 3D TSV

103

20812681

Synthesis and biochemical characterization of a series of 17a-perfluoroalkylated estradiols as selective ligands for estrogen receptora.

J Med Chem 53: 6947-53 (2010)

Charles University in Prague

2D 3D TSV

20810279

Discovery of pyrrolopyrimidine inhibitors of Akt.

Bioorg Med Chem Lett 20: 5607-12 (2010)

Array BioPharma Inc

2D 3D TSV

20810192

Synthesis and evaluation of indole, pyrazole, chromone and pyrimidine based conjugates for tumor growth inhibitory activities--development of highly efficacious cytotoxic agents.

Eur J Med Chem 45: 4968-82 (2010)

Guru Nanak Dev University

2D 3D TSV

20809642

Click-chemistry-derived triazole ligands of arginine-glycine-aspartate (RGD) integrins with a broad capacity to inhibit adhesion of melanoma cells and both in vitro and in vivo angiogenesis.

J Med Chem 53: 7119-28 (2010)

University of Florence

2D 3D TSV

20809634

Amino derivatives of indole as potent inhibitors of isoprenylcysteine carboxyl methyltransferase.

J Med Chem 53: 6838-50 (2010)

National University of Singapore

2D 3D TSV

20809633

Design, synthesis, and structure-activity relationships of novel bicyclic azole-amines as negative allosteric modulators of metabotropic glutamate receptor 5.

J Med Chem 53: 7107-18 (2010)

Sepracor Inc.

2D 3D TSV

20809632

Rigid analogues of thea2-adrenergic blocker atipamezole: small changes, big consequences.

J Med Chem 53: 6986-95 (2010)

Pierre Fabre Research Center

2D 3D TSV

20807771

Identification of an endothelin-converting enzyme-2-specific fluorigenic substrate and development of an in vitro and ex vivo enzymatic assay.

J Biol Chem 285: 34390-400 (2010)

Pharmaleads

2D 3D TSV

20807084

Hyperbolic mixed-type inhibition of acetylcholinesterase by tetracyclic thienopyrimidines.

J Enzyme Inhib Med Chem 26: 350-8 (2011)

University of Bonn

2D 3D TSV

20806939

Analogues of morphanthridine and the tear gas dibenz[b,f][1,4]oxazepine (CR) as extremely potent activators of the human transient receptor potential ankyrin 1 (TRPA1) channel.

J Med Chem 53: 7011-20 (2010)

Johnson & Johnson Pharmaceutical Research & Development

2D 3D TSV

20806907

Topsentinols, 24-isopropyl steroids from the marine sponge Topsentia sp.

J Nat Prod 73: 1597-600 (2010)

University of Hawaii at Manoa

2D 3D TSV

20806896

Effects of conformational restriction of 2-amino-3-benzoylthiophenes on A(1) adenosine receptor modulation.

J Med Chem 53: 6550-9 (2010)

Monash University (Parkville Campus)

2D 3D TSV

20806783

Bioactivity-guided isolation of 1,2,3,4,6-Penta-O-galloyl-D-glucopyranose from Paeonia lactiflora roots as a PTP1B inhibitor.

J Nat Prod 73: 1578-81 (2010)

University of Vienna

2D 3D TSV

20805028

6,7-Dihydroxy-4-phenylcoumarin as inhibitor of aldose reductase 2.

Bioorg Med Chem Lett 20: 5630-3 (2010)

University of Toyama

2D 3D TSV

20804212

Steady-state kinetic and inhibition studies of the mammalian target of rapamycin (mTOR) kinase domain and mTOR complexes.

Biochemistry 49: 8488-98 (2010)

Pfizer Inc

2D 3D TSV

20804202

Nitrile-containing pharmaceuticals: efficacious roles of the nitrile pharmacophore.

J Med Chem 53: 7902-17 (2010)

Duquesne University

2D 3D TSV

20804199

Inhalation by design: novel ultra-long-actingß(2)-adrenoreceptor agonists for inhaled once-daily treatment of asthma and chronic obstructive pulmonary disease that utilize a sulfonamide agonist headgroup.

J Med Chem 53: 6640-52 (2010)

Pfizer Inc

2D 3D TSV

20804198

Discovery of 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methyl-N-propylpyrrolo[1,2-f][1,2,4]triazine-6-carboxamide (BMS-582949), a clinical p38a MAP kinase inhibitor for the treatment of inflammatory diseases.

J Med Chem 53: 6629-39 (2010)

Bristol-Myers Squibb Research and Development

2D 3D TSV

20804197

Synthesis, anti-inflammatory activity, and in vitro antitumor effect of a novel class of cyclooxygenase inhibitors: 4-(aryloyl)phenyl methyl sulfones.

J Med Chem 53: 6560-71 (2010)

Universitat de Barcelona

2D 3D TSV

20801663

Delphinidin, a dietary anthocyanidin in berry fruits, inhibits human glyoxalase I.

Bioorg Med Chem 18: 7029-33 (2010)

Tokyo University of Science

2D 3D TSV

20801662

Structure-activity relationships in 1,4-benzodioxan-related compounds. 10. Novela1-adrenoreceptor antagonists related to openphendioxan: synthesis, biological evaluation, anda1d computational study.

Bioorg Med Chem 18: 7065-77 (2010)

Universit£ di Bari

2D 3D TSV

20801651

Heterobiaryl and heterobiaryl ether derived M5 positive allosteric modulators.

Bioorg Med Chem Lett 20: 5617-22 (2010)

Vanderbilt University Medical Center

2D 3D TSV

20801650

6-Alkoxyisoindolin-1-one based dopamine D2 partial agonists as potential antipsychotics.

Bioorg Med Chem Lett 20: 5666-9 (2010)

Pfizer Inc

2D 3D TSV

245

20801557

The synthesis, structure and activity evaluation of pyrogallol and catechol derivatives as Helicobacter pylori urease inhibitors.

Eur J Med Chem 45: 5064-70 (2010)

Jishou University

2D 3D TSV

20801551

Synthesis and evaluation of novel stearoyl-CoA desaturase 1 inhibitors: 1'-{6-[5-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-yl]pyridazin-3-yl}-3,4-dihydrospiro[chromene-2,4'-piperidine] analogs.

Eur J Med Chem 45: 4788-96 (2010)

Daiichi Sankyo Co., Ltd

2D 3D TSV

20801550

Synthesis, characterization, oxidative degradation, antibacterial activity and acetylcholinesterase/butyrylcholinesterase inhibitory effects of some new phosphorus(V) hydrazides.

Eur J Med Chem 45: 5130-9 (2010)

Tarbiat Modares University

2D 3D TSV

20801048

Novel imidazoline compounds as partial or full agonists of D2-like dopamine receptors inspired by I2-imidazoline binding sites ligand 2-BFI.

Bioorg Med Chem 18: 7085-91 (2010)

Universit£ degli Studi di Camerino

2D 3D TSV

20801039

9-Dihydroerythromycins as non-antibiotic motilin receptor agonists.

Bioorg Med Chem Lett 20: 5658-61 (2010)

Kosan Biosciences Inc

2D 3D TSV

20801037

Synthesis and SAR of 2-aryl-3-aminomethylquinolines as agonists of the bile acid receptor TGR5.

Bioorg Med Chem Lett 20: 5718-21 (2010)

Kalypsys Inc

2D 3D TSV

20801035

Synthesis and biological evaluation of C-2 halogenated analogs of salvinorin A.

Bioorg Med Chem Lett 20: 5749-52 (2010)

Harvard Medical School

2D 3D TSV

20801033

Probing the active-site requirements of human intestinal N-terminal maltase glucoamylase: the effect of replacing the sulfate moiety by a methyl ether in ponkoranol, a naturally occurringa-glucosidase inhibitor.

Bioorg Med Chem Lett 20: 5686-9 (2010)

Simon Fraser University

2D 3D TSV

20801032

Novel bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase.

Bioorg Med Chem Lett 20: 5781-6 (2010)

McGill University

2D 3D TSV

20801030

Discovery of potent and selective histamine H3 receptor inverse agonists based on the 3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one scaffold.

Bioorg Med Chem Lett 20: 5713-7 (2010)

F. Hoffmann-La Roche Inc

2D 3D TSV

106

20801028

Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists.

Bioorg Med Chem Lett 20: 5690-4 (2010)

NIDDK

2D 3D TSV

20800486

Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia.

Bioorg Med Chem Lett 20: 5874-8 (2010)

Neurocrine Biosciences Inc

2D 3D TSV

20800483

Novel indoline-1- or 3,4-dihydroquinoline-1(2H)-substituted carbothiohydrazides as TPO receptor agonists.

Bioorg Med Chem Lett 20: 5670-2 (2010)

Shanghai Hengrui Pharmaceuticals Co., Ltd

2D 3D TSV

20800482

Synthesis and biological evaluation of novel coumarin-based inhibitors of Cdc25 phosphatases.

Bioorg Med Chem Lett 20: 5827-30 (2010)

Université Paul Verlaine

2D 3D TSV

20800480

Synthesis and molecular docking study of novel coumarin derivatives containing 4,5-dihydropyrazole moiety as potential antitumor agents.

Bioorg Med Chem Lett 20: 5705-8 (2010)

Anhui University of Technology

2D 3D TSV

20800479

Switch control pocket inhibitors of p38-MAP kinase. Durable type II inhibitors that do not require binding into the canonical ATP hinge region.

Bioorg Med Chem Lett 20: 5793-8 (2010)

Deciphera Pharmaceuticals LLC

2D 3D TSV

20800322

Synthesis, biological assay in vitro and molecular docking studies of new imidazopyrazinone derivatives as potential dipeptidyl peptidase IV inhibitors.

Eur J Med Chem 45: 4953-62 (2010)

East China University of Science and Technology

2D 3D TSV

20797871

Development of a new epidermal growth factor receptor positron emission tomography imaging agent based on the 3-cyanoquinoline core: synthesis and biological evaluation.

Bioorg Med Chem 18: 6634-45 (2010)

Imperial College

2D 3D TSV

20797858

Synthesis of aminoquinazoline derivatives and their antiproliferative activities against melanoma cell line.

Bioorg Med Chem Lett 20: 5722-5 (2010)

Institute of Science and Technology

2D 3D TSV

20797855

PKI-179: an orally efficacious dual phosphatidylinositol-3-kinase (PI3K)/mammalian target of rapamycin (mTOR) inhibitor.

Bioorg Med Chem Lett 20: 5869-73 (2010)

Pfizer Inc

2D 3D TSV

20797617

Application of fragment-based drug discovery to membrane proteins: identification of ligands of the integral membrane enzyme DsbB.

Chem Biol 17: 881-91 (2010)

Leiden University

2D 3D TSV

20797610

Functional studies of Plasmodium falciparum dipeptidyl aminopeptidase I using small molecule inhibitors and active site probes.

Chem Biol 17: 808-19 (2010)

Stanford School of Medicine

2D 3D TSV

20795648

Design, synthesis, and preliminary biological evaluation of new isoform-selective f-current blockers.

J Med Chem 53: 6773-7 (2010)

Laboratory of Design, Synthesis, and Study of Biologically Active Heterocycles (HeteroBioLab)

2D 3D TSV

20735042

Design, synthesis, and biological evaluation of halogenated N-(2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl)benzamides: discovery of an isoform-selective small molecule phospholipase D2 inhibitor.

J Med Chem 53: 6706-19 (2010)

Vanderbilt University Medical Center

2D 3D TSV

20735001

Nonsteroidal dissociated glucocorticoid agonists containing azaindoles as steroid A-ring mimetics.

J Med Chem 53: 6681-98 (2010)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

145

20732813

Utilization of a nitrogen-sulfur nonbonding interaction in the design of new 2-aminothiazol-5-yl-pyrimidines as p38a MAP kinase inhibitors.

Bioorg Med Chem Lett 20: 5864-8 (2010)

Bristol-Myers Squibb Pharmaceutical Research Institute

2D 3D TSV

20732812

3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators.

Bioorg Med Chem Lett 20: 5922-4 (2010)

Vanderbilt University

2D 3D TSV

118

20731374

Direct renin inhibitors as a new therapy for hypertension.

J Med Chem 53: 7490-520 (2010)

Novartis Pharmaceuticals Corp

2D 3D TSV

20731360

Potent and fully noncompetitive peptidomimetic inhibitor of multidrug resistance P-glycoprotein.

J Med Chem 53: 6720-9 (2010)

UMR 5086 CNRS

2D 3D TSV

20731359

A focused library of protein tyrosine phosphatase inhibitors.

J Med Chem 53: 6768-72 (2010)

Brown University

2D 3D TSV

20731357

Small-molecule inhibitors of NADPH oxidase 4.

J Med Chem 53: 6758-62 (2010)

Vichem Chemie Research Ltd.

2D 3D TSV

20729091

Design and synthesis of biphenyl derivatives as mushroom tyrosinase inhibitors.

Bioorg Med Chem 18: 6708-14 (2010)

Jinan University

2D 3D TSV

20729082

Fused tricyclic pyrrolizinones that exhibit pseudo-irreversible blockade of the NK1 receptor.

Bioorg Med Chem Lett 20: 5925-32 (2010)

Merck Research Laboratories

2D 3D TSV

20728966

QSAR prediction of D2 receptor antagonistic activity of 6-methoxy benzamides.

Eur J Med Chem 45: 4856-62 (2010)

University of Mazandaran

2D 3D TSV

20728368

Synthesis, Pim kinase inhibitory potencies and in vitro antiproliferative activities of diversely substituted pyrrolo[2,3-a]carbazoles.

Bioorg Med Chem 18: 6865-73 (2010)

Clermont Université

2D 3D TSV

20728365

Replacement of the Lys linker with an Arg linker resulting in improved melanoma uptake and reduced renal uptake of Tc-99m-labeled Arg-Gly-Asp-conjugated alpha-melanocyte stimulating hormone hybrid peptide.

Bioorg Med Chem 18: 6695-700 (2010)

University of New Mexico

2D 3D TSV

20728358

Optimization of N-benzyl-benzoxazol-2-ones as receptor antagonists of macrophage migration inhibitory factor (MIF).

Bioorg Med Chem Lett 20: 5811-4 (2010)

Yale University

2D 3D TSV

20728356

The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part III: the three microdose candidates.

Bioorg Med Chem Lett 20: 7164-8 (2010)

Pfizer Inc

2D 3D TSV

20728355

Identification and optimization of substituted 5-aminopyrazoles as potent and selective adenosine A1 receptor antagonists.

Bioorg Med Chem Lett 20: 5891-4 (2010)

Bayer Schering Pharma AG

2D 3D TSV

20728354

Azole derivatives as histamine H3 receptor antagonists, part I: thiazol-2-yl ethers.

Bioorg Med Chem Lett 20: 5879-82 (2010)

Johann Wolfgang Goethe University

2D 3D TSV

20728352

Novel pyrrole- and 1,2,3-triazole-based 2,3-oxidosqualene cyclase inhibitors.

Bioorg Med Chem Lett 20: 5807-10 (2010)

Institute of Microbial Chemistry

2D 3D TSV

20728351

CD4 mimics targeting the HIV entry mechanism and their hybrid molecules with a CXCR4 antagonist.

Bioorg Med Chem Lett 20: 5853-8 (2010)

Tokyo Medical and Dental University

2D 3D TSV

20728350

Identification of a new biaryl scaffold generating potent renin inhibitors.

Bioorg Med Chem Lett 20: 5822-6 (2010)

Merck Frosst Center for Therapeutic Research

2D 3D TSV

20728251

3D-QSAR pharmacophore modeling and in silico screening of new Bcl-xl inhibitors.

Eur J Med Chem 45: 4774-82 (2010)

Universit£ degli Studi di Palermo

2D 3D TSV

20727753

Design of a series of bicyclic HIV-1 integrase inhibitors. Part 2: azoles: effective metal chelators.

Bioorg Med Chem Lett 20: 5909-12 (2010)

Avexa Ltd

2D 3D TSV

20727752

Discovery of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as selective antagonists of the kappa opioid receptor. Part 1.

Bioorg Med Chem Lett 20: 5847-52 (2010)

AstraZeneca Pharmaceuticals

2D 3D TSV

141

20727750

Synthesis and biological evaluation of indomethacin analogs possessing a N-difluoromethyl-1,2-dihydropyrid-2-one ring system: a search for novel cyclooxygenase and lipoxygenase inhibitors.

Bioorg Med Chem Lett 20: 5776-80 (2010)

University of Alberta

2D 3D TSV

20727749

Pyrazolo[1,5-a]pyrimidine acetamides: 4-Phenyl alkyl ether derivatives as potent ligands for the 18 kDa translocator protein (TSPO).

Bioorg Med Chem Lett 20: 5799-802 (2010)

University of Sydney

2D 3D TSV

20727748

Design of a series of bicyclic HIV-1 integrase inhibitors. Part 1: selection of the scaffold.

Bioorg Med Chem Lett 20: 5913-7 (2010)

Avexa Ltd

2D 3D TSV

20727747

Discovery of a class of calcium sensing receptor positive allosteric modulators; 1-(benzothiazol-2-yl)-1-phenylethanols.

Bioorg Med Chem Lett 20: 5918-21 (2010)

ACADIA Pharmaceuticals AB

2D 3D TSV

20727744

Azole derivatives as histamine H3 receptor antagonists, part 2: C-C and C-S coupled heterocycles.

Bioorg Med Chem Lett 20: 5883-6 (2010)

Johann Wolfgang Goethe University

2D 3D TSV

20727743

Discovery of quinolines as selective glucocorticoid receptor agonists.

Bioorg Med Chem Lett 20: 5835-8 (2010)

Bayer Schering Pharma AG

2D 3D TSV

20726512

Orally active MMP-1 sparinga-tetrahydropyranyl anda-piperidinyl sulfone matrix metalloproteinase (MMP) inhibitors with efficacy in cancer, arthritis, and cardiovascular disease.

J Med Chem 53: 6653-80 (2010)

Pfizer Inc

2D 3D TSV

282

20724166

Studies on ligand binding to histidine triad nucleotide binding protein 1.

Bioorg Med Chem 18: 6756-62 (2010)

University of Maryland

2D 3D TSV

20724156

Discovery of novel, orally available benzimidazoles as melanin concentrating hormone receptor 1 (MCHR1) antagonists.

Bioorg Med Chem Lett 20: 5443-8 (2010)

Dr. Reddy's Laboratories Ltd

2D 3D TSV

20724155

Prenylflavonoids from Glycyrrhiza uralensis and their protein tyrosine phosphatase-1B inhibitory activities.

Bioorg Med Chem Lett 20: 5398-401 (2010)

Toho University

2D 3D TSV

20724153

Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors.

Bioorg Med Chem Lett 20: 5567-71 (2010)

Korea Institute of Science and Technology

2D 3D TSV

20724152

Iminoheterocycles as gamma-secretase modulators.

Bioorg Med Chem Lett 20: 5380-4 (2010)

Merck Research Laboratories

2D 3D TSV

20724150

Pyrido pyrimidinones as selective agonists of the high affinity niacin receptor GPR109A: optimization of in vitro activity.

Bioorg Med Chem Lett 20: 5426-30 (2010)

F. Hoffmann-La Roche Inc

2D 3D TSV

20724042

Computational analysis of ligand recognition sites of homo- and heteropentameric 5-HT3 receptors.

Eur J Med Chem 45: 4746-60 (2010)

University of Modena and Reggio Emilia

2D 3D TSV

20724038

Synthesis, characterization and antiglaucoma activity of some novel pyrazole derivatives of 5-amino-1,3,4-thiadiazole-2-sulfonamide.

Eur J Med Chem 45: 4769-73 (2010)

Dumlupinar University

2D 3D TSV

20722422

Discovery of mitogen-activated protein kinase-interacting kinase 1 inhibitors by a comprehensive fragment-oriented virtual screening approach.

J Med Chem 53: 6618-28 (2010)

Spanish National Cancer Research Centre (CNIO)

2D 3D TSV

20719511

Identification and hit-to-lead optimization of a novel class of CB1 antagonists.

Bioorg Med Chem Lett 20: 5449-53 (2010)

Ligand Pharmaceuticals Inc

2D 3D TSV

20719509

SAR development of a series of 8-azabicyclo[3.2.1]octan-3-yloxy-benzamides as kappa opioid receptor antagonists. Part 2.

Bioorg Med Chem Lett 20: 5405-10 (2010)

AstraZeneca Pharmaceuticals

2D 3D TSV

20719508

Identification and optimization of novel 2-(4-oxo-2-aryl-quinazolin-3(4H)-yl)acetamide vasopressin V3 (V1b) receptor antagonists.

Bioorg Med Chem Lett 20: 5394-7 (2010)

Ligand Pharmaceuticals Inc

2D 3D TSV

20719507

Novel 7-phenylsulfanyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indoles as dual serotonin 5-HT2C and 5-HT6 receptor ligands.

Bioorg Med Chem Lett 20: 5431-3 (2010)

University of Copenhagen

2D 3D TSV

20718494

Discovery of 2-[1-(4-chlorophenyl)cyclopropyl]-3-hydroxy-8-(trifluoromethyl)quinoline-4-carboxylic acid (PSI-421), a P-selectin inhibitor with improved pharmacokinetic properties and oral efficacy in models of vascular injury.

J Med Chem 53: 6003-17 (2010)

Pfizer Inc

2D 3D TSV

20718493

Fragment-based drug discovery applied to Hsp90. Discovery of two lead series with high ligand efficiency.

J Med Chem 53: 5942-55 (2010)

Astex Therapeutics, Ltd.

2D 3D TSV

20718492

Investigations on the 4-quinolone-3-carboxylic acid motif. 3. Synthesis, structure-affinity relationships, and pharmacological characterization of 6-substituted 4-quinolone-3-carboxamides as highly selective cannabinoid-2 receptor ligands.

J Med Chem 53: 5915-28 (2010)

Universit£ degli Studi di Siena

2D 3D TSV

20718440

Novel benzimidazole inhibitors bind to a unique site in the kinesin spindle protein motor domain.

Biochemistry 49: 8350-8 (2010)

Merck Research Laboratories

2D 3D TSV

20718423

Design and synthesis of potent"sulfur-free" transition state analogue inhibitors of 5'-methylthioadenosine nucleosidase and 5'-methylthioadenosine phosphorylase.

J Med Chem 53: 6730-46 (2010)

Industrial Research Limited

2D 3D TSV

20718420

Substituted 4-carboxymethylpyroglutamic acid diamides as potent and selective inhibitors of fibroblast activation protein.

J Med Chem 53: 6572-83 (2010)

National Health Research Institutes

2D 3D TSV

167

20716489

FRET-based sensors for the human M1-, M3-, and M5-acetylcholine receptors.

Bioorg Med Chem 19: 1048-54 (2011)

University of Wuerzburg

2D 3D TSV

20716488

Identification of small molecule compounds with higher binding affinity to guanine deaminase (cypin) than guanine.

Bioorg Med Chem 18: 6748-55 (2010)

The State University of New Jersey

2D 3D TSV

20715818

Synthesis, stereochemical separation, and biological evaluation of selective inhibitors of human MAO-B: 1-(4-arylthiazol-2-yl)-2-(3-methylcyclohexylidene)hydrazines.

J Med Chem 53: 6516-20 (2010)

Sapienza University of Rome

2D 3D TSV

20712346

Discovery of pyridazinopyridinones as potent and selective p38 mitogen-activated protein kinase inhibitors.

J Med Chem 53: 6398-411 (2010)

Amgen Inc

2D 3D TSV

20711197

Allosteric non-bisphosphonate FPPS inhibitors identified by fragment-based discovery.

Nat Chem Biol 6: 660-6 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20709559

Facile synthesis of octahydrobenzo[h]isoquinolines: novel and highly potent D1 dopamine agonists.

Bioorg Med Chem 18: 6763-70 (2010)

Purdue University

2D 3D TSV

20709553

The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: the second clinical candidate having a shorter and favorable human half-life.

Bioorg Med Chem Lett 20: 7159-63 (2010)

Pfizer Inc

2D 3D TSV

20709552

Substituted biaryl oxazoles, imidazoles, and thiazoles as sodium channel blockers.

Bioorg Med Chem Lett 20: 5536-40 (2010)

Merck Research Laboratories

2D 3D TSV

20709550

The discovery of a series of N-substituted 3-(4-piperidinyl)-1,3-benzoxazolinones and oxindoles as highly brain penetrant, selective muscarinic M1 agonists.

Bioorg Med Chem Lett 20: 5434-8 (2010)

GlaxoSmithKline

2D 3D TSV

20709547

The discovery and synthesis of highly potent subtype selective phosphodiesterase 4D inhibitors.

Bioorg Med Chem Lett 20: 5502-5 (2010)

Merck Frosst Centre for Therapeutic Research

2D 3D TSV

20709545

Substituted biaryl pyrazoles as sodium channel blockers.

Bioorg Med Chem Lett 20: 5480-3 (2010)

Merck Research Laboratories

2D 3D TSV

20709544

Synthesis of polyhydroxylated aromatics having amidation of piperazine nitrogen as HIV-1 integrase inhibitor.

Bioorg Med Chem Lett 20: 5469-71 (2010)

Beijing University of Technology

2D 3D TSV

20708942

Rose Bengal analogs and vesicular glutamate transporters (VGLUTs).

Bioorg Med Chem 18: 6922-33 (2010)

University of Paris

2D 3D TSV

20708937

Novel indolylmaleimide acts as GSK-3beta inhibitor in human neural progenitor cells.

Bioorg Med Chem 18: 6785-95 (2010)

University of Rostock

2D 3D TSV

20708933

Synthesis and evaluation of amides surrogates of dopamine D3 receptor ligands.

Bioorg Med Chem Lett 20: 5376-9 (2010)

Université de Rennes I

2D 3D TSV

20708930

The discovery of an orally efficacious positive allosteric modulator of the calcium sensing receptor containing a dibenzylamine core.

Bioorg Med Chem Lett 20: 5544-7 (2010)

Amgen Inc

2D 3D TSV

20708929

Novel pyrrolidine heterocycles as CCR1 antagonists.

Bioorg Med Chem Lett 20: 5477-9 (2010)

Ligand Pharmaceuticals Inc

2D 3D TSV

20708408

1,2,3-triazole analogs of combretastatin A-4 as potential microtubule-binding agents.

Bioorg Med Chem 18: 6874-85 (2010)

University of Oslo

2D 3D TSV

20708407

Peptidic HIV integrase inhibitors derived from HIV gene products: structure-activity relationship studies.

Bioorg Med Chem 18: 6771-5 (2010)

Tokyo Medical and Dental University

2D 3D TSV

20708306

Synthesis of new series of quinoxaline based MAO-inhibitors and docking studies.

Eur J Med Chem 45: 4479-89 (2010)

Alexandria University

2D 3D TSV

20705461

Synthesis and biological activity of N-substituted aminocarbonyl-1,3-dioxolanes as VLA-4 antagonists.

Bioorg Med Chem Lett 20: 5514-20 (2010)

New Drug Discovery Research

2D 3D TSV

20704351

p-Trifluoromethyldiazirinyl-etomidate: a potent photoreactive general anesthetic derivative of etomidate that is selective for ligand-gated cationic ion channels.

J Med Chem 53: 6432-44 (2010)

Massachusetts General Hospital

2D 3D TSV

20702005

Synthesis of new 3-aryl-4,5-dihydropyrazole-1-carbothioamide derivatives. An investigation on their ability to inhibit monoamine oxidase.

Eur J Med Chem 45: 4490-8 (2010)

Dipartimento Farmaco Chimico Tecnologico

2D 3D TSV

20701394

Interaction kinetic and structural dynamic analysis of ligand binding to acetylcholine-binding protein.

Biochemistry 49: 8143-54 (2010)

Beactica AB

2D 3D TSV

20698542

Identification and development of novel inhibitors of Toxoplasma gondii enoyl reductase.

J Med Chem 53: 6287-300 (2010)

University of Illinois at Chicago

2D 3D TSV

20696872

Affinity of ceftobiprole for penicillin-binding protein 2b in Streptococcus pneumoniae strains with various susceptibilities to penicillin.

Antimicrob Agents Chemother 54: 4510-2 (2010)

Johnson & Johnson Pharmaceutical Research & Development

2D 3D TSV

20696581

Xanthones with neuraminidase inhibitory activity from the seedcases of Garcinia mangostana.

Bioorg Med Chem 18: 6258-64 (2010)

Graduate School of Gyeongsang National University

2D 3D TSV

20696580

Selective inhibition of methoxyflavonoids on human CYP1B1 activity.

Bioorg Med Chem 18: 6310-5 (2010)

University of Shizuoka

2D 3D TSV

20695472

Identification of a naturally occurring rexinoid, honokiol, that activates the retinoid X receptor.

J Nat Prod 73: 1332-6 (2010)

Aichi Gakuin University

2D 3D TSV

20692836

[3-azabicyclo[3.1.0]hex-1-yl]phenyl-benzenesulfonamides as selective dopamine D3 antagonists.

Bioorg Med Chem Lett 20: 5491-4 (2010)

GlaxoSmithKline

2D 3D TSV

20692833

N-tetrahydrothiochromenoisoxazole-1-carboxamides as selective antagonists of cloned human 5-HT2B.

Bioorg Med Chem Lett 20: 5488-90 (2010)

CSIRO Molecular and Health Technologies

2D 3D TSV

20692832

Identification of a novel NR2B-selective NMDA receptor antagonist using a virtual screening approach.

Bioorg Med Chem Lett 20: 5552-8 (2010)

Universit£ Paris Descartes

2D 3D TSV

20692829

Allicin and derivates are cysteine protease inhibitors with antiparasitic activity.

Bioorg Med Chem Lett 20: 5541-3 (2010)

University of Würzburg

2D 3D TSV

20692738

Synthesis and activity of endomorphin-2 and morphiceptin analogues with proline surrogates in position 2.

Eur J Med Chem 45: 4594-600 (2010)

Sapienza University of Rome

2D 3D TSV

20692174

Synthesis, biological evaluation, and docking studies of novel heterocyclic diaryl compounds as selective COX-2 inhibitors.

Bioorg Med Chem 18: 6367-76 (2010)

Gazi University

2D 3D TSV

20691589

Design, synthesis, and biological evaluation of new monoamine reuptake inhibitors with potential therapeutic utility in depression and pain.

Bioorg Med Chem Lett 20: 5559-66 (2010)

Roche Palo Alto LLC

2D 3D TSV

20691511

Three-dimensional quantitative structure-activity relationship CoMSIA/CoMFA and LeapFrog studies on novel series of bicyclo [4.1.0] heptanes derivatives as melanin-concentrating hormone receptor R1 antagonists.

Eur J Med Chem 45: 4509-22 (2010)

Universidad de Cartagena

2D 3D TSV

20691509

QSAR study of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2 using LS-SVM and GRNN based on principal components.

Eur J Med Chem 45: 4499-508 (2010)

Kermanshah University of Medical Sciences

2D 3D TSV

20691338

Design, synthesis and biological evaluation of new (E)- and (Z)-1,2,3-triaryl-2-propen-1-ones as selective COX-2 inhibitors.

Eur J Med Chem 45: 4013-7 (2010)

Shahid Beheshti University of Medical Sciences

2D 3D TSV

20690686

Synthesis, in vitro activity, and three-dimensional quantitative structure-activity relationship of novel hydrazine inhibitors of human vascular adhesion protein-1.

J Med Chem 53: 6301-15 (2010)

FI-40014 University of Jyvaskyla

2D 3D TSV

20690647

Peptidyl alpha-ketoamides with nucleobases, methylpiperazine, and dimethylaminoalkyl substituents as calpain inhibitors.

J Med Chem 53: 6326-36 (2010)

Georgia Institute of Technology

2D 3D TSV

20690643

Investigation of the histamine H3 receptor binding site. Design and synthesis of hybrid agonists with a lipophilic side chain.

J Med Chem 53: 6445-56 (2010)

Meiji Seika Kaisha, Ltd

2D 3D TSV

20690635

Discovery of canagliflozin, a novel C-glucoside with thiophene ring, as sodium-dependent glucose cotransporter 2 inhibitor for the treatment of type 2 diabetes mellitus.

J Med Chem 53: 6355-60 (2010)

Mitsubishi Tanabe Pharma Corporation

2D 3D TSV

20688523

N(G)-Acyl-argininamides as NPY Y(1) receptor antagonists: Influence of structurally diverse acyl substituents on stability and affinity.

Bioorg Med Chem 18: 6292-304 (2010)

Universität Regensburg

2D 3D TSV

20688519

Two distinct classes of novel pyrazolinecarboxamides as potent cannabinoid CB1 receptor agonists.

Bioorg Med Chem Lett 20: 4992-8 (2010)

Abbott Healthcare Products BV

2D 3D TSV

20688518

S-benzylisothiourea derivatives as small-molecule inhibitors of indoleamine-2,3-dioxygenase.

Bioorg Med Chem Lett 20: 5126-9 (2010)

University of Shizuoka

2D 3D TSV

20687610

Development of potent glucagon-like peptide-1 agonists with high enzyme stability via introduction of multiple lactam bridges.

J Med Chem 53: 6412-20 (2010)

University of Texas at Dallas

2D 3D TSV

20685126

Antiviral agents 2. Synthesis of trimeric naphthoquinone analogues of conocurvone and their antiviral evaluation against HIV.

Bioorg Med Chem 18: 6442-50 (2010)

Monash University (Parkville Campus)

2D 3D TSV

20685120

Synthesis of pyrrolomorphinan derivatives as kappa opioid agonists.

Bioorg Med Chem Lett 20: 5035-8 (2010)

Kitasato University

2D 3D TSV

20685119

Penta-substituted benzimidazoles as potent antagonists of the calcium-sensing receptor (CaSR-antagonists).

Bioorg Med Chem Lett 20: 5161-4 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20685118

The synthesis and structure-activity relationship of 4-benzimidazolyl-piperidinylcarbonyl-piperidine analogs as histamine H3 antagonists.

Bioorg Med Chem Lett 20: 5004-8 (2010)

Merck Research Laboratories

2D 3D TSV

20684859

Homology modeling and atomic level binding study of GABA(A) receptor with novel enaminone amides.

Eur J Med Chem 45: 3595-600 (2010)

Wuhan Institute of Technology

2D 3D TSV

20684615

Synthesis and resolution of cis-(+/-)-methyl (1R,2S/1S,2R)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropanecarboxylate [(+/-)-PPCC)]: new sigma receptor ligands with neuroprotective effect.

J Med Chem 53: 5881-5 (2010)

University of Catania

2D 3D TSV

20684611

Design of potent inhibitors of human RAD51 recombinase based on BRC motifs of BRCA2 protein: modeling and experimental validation of a chimera peptide.

J Med Chem 53: 5782-91 (2010)

Centre National de la Recherche Scientifique & Universite de Nantes

2D 3D TSV

20684610

Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prostate cancer.

J Med Chem 53: 5749-58 (2010)

Saarland University

2D 3D TSV

20684608

Tetrahydroisoquinoline derivatives as highly selective and potent Rho kinase inhibitors.

J Med Chem 53: 5727-37 (2010)

The Scripps Research Institute

2D 3D TSV

20684606

Synthesis and in vivo evaluation of phenethylpiperazine amides: selective 5-hydroxytryptamine(2A) receptor antagonists for the treatment of insomnia.

J Med Chem 53: 5696-706 (2010)

Arena Pharmaceuticals

2D 3D TSV

20684605

Crystal structure-based selective targeting of the pyridoxal 5'-phosphate dependent enzyme kynurenine aminotransferase II for cognitive enhancement.

J Med Chem 53: 5684-9 (2010)

University of Piemonte Orientale Amedeo Avogadro

2D 3D TSV

20684604

Design, synthesis, enzyme-inhibitory activity, and effect on human cancer cells of a novel series of jumonji domain-containing protein 2 histone demethylase inhibitors.

J Med Chem 53: 5629-38 (2010)

Nagoya City University

2D 3D TSV

20684603

Discovery of 6-(aminomethyl)-5-(2,4-dichlorophenyl)-7-methylimidazo[1,2-a]pyrimidine-2-carboxamides as potent, selective dipeptidyl peptidase-4 (DPP4) inhibitors.

J Med Chem 53: 5620-8 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

101

20684602

An efficient approach to the discovery of potent inhibitors against glycosyltransferases.

J Med Chem 53: 5607-19 (2010)

Hokkaido University

2D 3D TSV

20684600

Biological diversity from a structurally diverse library: systematically scanning conformational space using a pyranose scaffold.

J Med Chem 53: 5576-86 (2010)

Alchemia Ltd

2D 3D TSV

20684598

Development and characterization of new inhibitors of the human and mouse hematopoietic prostaglandin D(2) synthases.

J Med Chem 53: 5536-48 (2010)

The University of Queensland

2D 3D TSV

20684597

Identification of the first low-molecular-weight inhibitors of matriptase-2.

J Med Chem 53: 5523-35 (2010)

University of Bonn

2D 3D TSV

20684596

A novel water-soluble gossypol derivative increases chemotherapeutic sensitivity and promotes growth inhibition in colon cancer.

J Med Chem 53: 5502-10 (2010)

Institute of Health Sciences

2D 3D TSV

20684595

Quinazolin-4-one derivatives: A novel class of noncompetitive NR2C/D subunit-selective N-methyl-D-aspartate receptor antagonists.

J Med Chem 53: 5476-90 (2010)

Emory University

2D 3D TSV

374

20684594

Phenylsulfonylfuroxans as modulators of multidrug-resistance-associated protein-1 and P-glycoprotein.

J Med Chem 53: 5467-75 (2010)

Universita degli Studi di Torino

2D 3D TSV

20684592

Identification of potent and selective amidobipyridyl inhibitors of protein kinase D.

J Med Chem 53: 5422-38 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20684591

Identification of orally available naphthyridine protein kinase D inhibitors.

J Med Chem 53: 5400-21 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20684567

Novel carbamates as orally active acetylcholinesterase inhibitors found to improve scopolamine-induced cognition impairment: pharmacophore-based virtual screening, synthesis, and pharmacology.

J Med Chem 53: 6490-505 (2010)

Central Drug Research Institute

2D 3D TSV

20684563

Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 receptor agonist with unprecedented selectivity and procognitive potential.

J Med Chem 53: 6386-97 (2010)

H. Lundbeck A/S

2D 3D TSV

Nonpeptidic and potent small-molecule inhibitors of cIAP-1/2 and XIAP proteins.

20684551

J Med Chem 53: 6361-7 (2010)

University of Michigan

2D 3D TSV

20684549

Discovery of a potent, selective, and orally bioavailable pyridinyl-pyrimidine phthalazine aurora kinase inhibitor.

J Med Chem 53: 6368-77 (2010)

Amgen Inc

2D 3D TSV

20682786

Identification of novel inhibitors of 1-aminocyclopropane-1-carboxylic acid synthase by chemical screening in Arabidopsis thaliana.

J Biol Chem 285: 33445-56 (2010)

National Defense Medical Center

2D 3D TSV

20681583

Novel N-methylated 8-oxoisoguanines from Pacific sponges with diverse neuroactivities.

J Med Chem 53: 6089-99 (2010)

Hokkaido University

2D 3D TSV

20681538

Discovery of pyrrole-indoline-2-ones as Aurora kinase inhibitors with a different inhibition profile.

J Med Chem 53: 5929-41 (2010)

Development Center for Biotechnology

2D 3D TSV

20678931

Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 2, optimization for blood pressure reduction in spontaneously hypertensive rats.

Bioorg Med Chem Lett 20: 5153-6 (2010)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

20675137

Proline isosteres in a series of 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitors of IGF-1R kinase and IR kinase.

Bioorg Med Chem Lett 20: 5027-30 (2010)

Bristol-Myers Squibb Research and Development

2D 3D TSV

20675136

Synthesis and biological evaluation of oxoindolin-3-ylidene ethyl benzothiohydrazides as non-peptide TPO mimics.

Bioorg Med Chem Lett 20: 5062-4 (2010)

Shanghai Hengrui Pharmaceuticals Co., Ltd

2D 3D TSV

20675134

Discovery of imidazo[1,2-b]pyridazine derivatives as IKKbeta inhibitors. Part 1: Hit-to-lead study and structure-activity relationship.

Bioorg Med Chem Lett 20: 5113-8 (2010)

Daiichi Sankyo Co., Ltd

2D 3D TSV

20675133

SAR studies of non-zinc-chelating MMP-13 inhibitors: improving selectivity and metabolic stability.

Bioorg Med Chem Lett 20: 5039-43 (2010)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

20675132

Synthesis and biochemical evaluation of a range of (4-substituted phenyl)sulfonate derivatives of 4-hydroxybenzyl imidazole-based compounds as potent inhibitors of 17alpha-hydroxylase/17,20-lyase (P45017alpha) derived from rat testicular microsomes.

Bioorg Med Chem Lett 20: 5345-8 (2010)

University of the West of Scotland

2D 3D TSV

20674373

Design, synthesis, and pharmacological effects of structurally simple ligands for MT(1) and MT(2) melatonin receptors.

Bioorg Med Chem 18: 6496-511 (2010)

Universit£ degli Studi di Bari

2D 3D TSV

20674368

New effective inhibitors of the Abelson kinase.

Bioorg Med Chem 18: 6316-21 (2010)

Iowa State University

2D 3D TSV

20674358

Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 2: Discovery of highly potent anti-HIV agents.

Bioorg Med Chem Lett 20: 5334-6 (2010)

Chinese Academy of Sciences

2D 3D TSV

20674357

Novel imidazobenzazepine derivatives as dual H1/5-HT2A antagonists for the treatment of sleep disorders.

Bioorg Med Chem Lett 20: 5069-73 (2010)

GlaxoSmithKline

2D 3D TSV

20674356

Synthesis of selenophene derivatives as novel CHK1 inhibitors.

Bioorg Med Chem Lett 20: 5065-8 (2010)

Development Center for Biotechnology

2D 3D TSV

20674355

Pyrrolo[1,2-a]pyrazine and pyrazolo[1,5-a]pyrazine: novel, potent, and selective series of Vasopressin 1b receptor antagonists.

Bioorg Med Chem Lett 20: 5044-9 (2010)

GlaxoSmithKline

2D 3D TSV

20674354

Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV.

Bioorg Med Chem Lett 20: 5050-3 (2010)

Universit£ degli Studi di Firenze

2D 3D TSV

20674352

Inhibition of interleukin-1beta converting enzyme (ICE or caspase 1) by aspartyl acyloxyalkyl ketones and aspartyl amidooxyalkyl ketones.

Bioorg Med Chem Lett 20: 5089-94 (2010)

Pfizer Inc

2D 3D TSV

20674351

Development of 2-pyrrolidinyl-N-methyl pyrimidones as potent and orally bioavailable HIV integrase inhibitors.

Bioorg Med Chem Lett 20: 5031-4 (2010)

IRBM-MRL

2D 3D TSV

20674350

Discovery of imidazo[1,2-a]pyrazine-based Aurora kinase inhibitors.

Bioorg Med Chem Lett 20: 5170-4 (2010)

Merck Research Laboratories

2D 3D TSV

20674099

Inhibition of monoamine oxidase by indole and benzofuran derivatives.

Eur J Med Chem 45: 4458-66 (2010)

North-West University

2D 3D TSV

20673729

Discovery of 2-(4-((1H-1,2,4-triazol-1-yl)methyl)-5-(4-bromophenyl)-1-(2-chlorophenyl)-1H-pyrazol-3-yl)-5-tert-butyl-1,3,4-thiadiazole (GCC2680) as a potent, selective and orally efficacious cannabinoid-1 receptor antagonist.

Bioorg Med Chem 18: 6377-88 (2010)

Green Cross Corporation

2D 3D TSV

20673728

Discovery of achiral inhibitors of the hepatitis C virus NS3 protease based on 2(1H)-pyrazinones.

Bioorg Med Chem 18: 6512-25 (2010)

Uppsala University

2D 3D TSV

20673725

Design, synthesis and anticholinesterase activity of a novel series of 1-benzyl-4-((6-alkoxy-3-oxobenzofuran-2(3H)-ylidene) methyl) pyridinium derivatives.

Bioorg Med Chem 18: 6360-6 (2010)

Tehran University of Medical Sciences

2D 3D TSV

20673724

Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase.

Bioorg Med Chem 18: 6526-37 (2010)

Northwestern University

2D 3D TSV

20673718

Addressing time-dependent CYP 3A4 inhibition observed in a novel series of substituted amino propanamide renin inhibitors, a case study.

Bioorg Med Chem Lett 20: 5074-9 (2010)

Merck Frosst Centre for Therapeutic Research

2D 3D TSV

20673717

Discovery and structure-activity relationships of a series of pyroglutamic acid amide antagonists of the P2X7 receptor.

Bioorg Med Chem Lett 20: 5080-4 (2010)

GlaxoSmithKline

2D 3D TSV

20673630

Discovery of a novel class of triazolones as checkpoint kinase inhibitors--hit to lead exploration.

Bioorg Med Chem Lett 20: 5133-8 (2010)

AstraZeneca R&D Boston

2D 3D TSV

20672825

Structure-activity relationships for a novel series of citalopram (1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile) analogues at monoamine transporters.

J Med Chem 53: 6112-21 (2010)

National Institute on Drug Abuse-Intramural Research Program

2D 3D TSV

20672822

Discovery of (3S,3aR)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid (PF-3882845), an orally efficacious mineralocorticoid receptor (MR) antagonist for hypertension and nephropathy.

J Med Chem 53: 5979-6002 (2010)

Pfizer Inc

2D 3D TSV

108

20672820

Discovery of novel cyanodihydropyridines as potent mineralocorticoid receptor antagonists.

J Med Chem 53: 5970-8 (2010)

Pfizer Inc

2D 3D TSV

20672340

Comparison of the activity of non-steroidal ecdysone agonists between dipteran and lepidopteran insects, using cell-based EcR reporter assays.

Pest Manag Sci 66: 1215-29 (2010)

Ghent University

2D 3D TSV

166

20669983

Effects of 7-O substitutions on estrogenic and anti-estrogenic activities of daidzein analogues in MCF-7 breast cancer cells.

J Med Chem 53: 6153-63 (2010)

Xavier University of Louisiana

2D 3D TSV

20669972

Non-peptide macrocyclic histone deacetylase inhibitors derived from tricyclic ketolide skeleton.

J Med Chem 53: 6100-11 (2010)

Georgia Institute of Technology

2D 3D TSV

20669927

Medicinal chemistry as a conduit for the modulation of quorum sensing.

J Med Chem 53: 7467-89 (2010)

The Scripps Research Institute

2D 3D TSV

20667742

NMR spectroscopy and computational analysis of interaction between Serratia marcescens chitinase B and a dipeptide derived from natural-product cyclopentapeptide chitinase inhibitor argifin.

Bioorg Med Chem 18: 5835-44 (2010)

Kitasato University

2D 3D TSV

20667741

Design, synthesis, and biological evaluation of prenylated chalcones as 5-LOX inhibitors.

Bioorg Med Chem 18: 5807-15 (2010)

University of Hyderabad

2D 3D TSV

20667740

Novel tricyclic pyrazole BRAF inhibitors with imidazole or furan central scaffolds.

Bioorg Med Chem 18: 6934-52 (2010)

The Institute of Cancer Research

2D 3D TSV

20667734

Synthesis of a series of novel 2,4,5-trisubstituted selenazole compounds as potential PLTP inhibitors.

Bioorg Med Chem Lett 20: 5123-5 (2010)

Beijing Institute of Pharmacology and Toxicology

2D 3D TSV

20667732

Synthesis and SAR of novel, 4-(phenylsulfamoyl)phenylacetamide mGlu4 positive allosteric modulators (PAMs) identified by functional high-throughput screening (HTS).

Bioorg Med Chem Lett 20: 5175-8 (2010)

Vanderbilt University Medical Center

2D 3D TSV

20667729

Discovery of substituted benzyl tetrazoles as histamine H3 receptor antagonists.

Bioorg Med Chem Lett 20: 5165-9 (2010)

Evotec (UK) Ltd

2D 3D TSV

20667726

Fluorescent retinoid X receptor ligands for fluorescence polarization assay.

Bioorg Med Chem Lett 20: 5143-6 (2010)

Okayama University

2D 3D TSV

20667724

Discovery of cannabinoid-1 receptor antagonists by virtual screening.

Bioorg Med Chem Lett 20: 5130-2 (2010)

Korea Research Institute of Chemical Technology

2D 3D TSV

20666484

Novel octreotide dicarba-analogues with high affinity and different selectivity for somatostatin receptors.

J Med Chem 53: 6188-97 (2010)

University of Firenze

2D 3D TSV

20666458

Identification and characterization of acidic mammalian chitinase inhibitors.

J Med Chem 53: 6122-8 (2010)

Pfizer Inc

2D 3D TSV

20666457

Discovery and mechanistic study of a class of protein arginine methylation inhibitors.

J Med Chem 53: 6028-39 (2010)

Georgia State University

2D 3D TSV

20666436

Dipeptidyl-quinolone derivatives inhibit hypoxia inducible factor-1a prolyl hydroxylases-1, -2, and -3 with altered selectivity.

J Comb Chem 12: 676-86 (2010)

Amgen Inc

2D 3D TSV

20666371

Aryl phosphoramidates of 5-phospho erythronohydroxamic acid, a new class of potent trypanocidal compounds.

J Med Chem 53: 6071-8 (2010)

University of Dundee

2D 3D TSV

20665773

Structural and thermodynamic analyses of α-L-fucosidase inhibitors.

Chembiochem 11: 1971-4 (2010)

University of York

2D 3D TSV

20663669

Biaryl substituted hydantoin compounds as TACE inhibitors.

Bioorg Med Chem Lett 20: 5286-9 (2010)

Merck Research Laboratories

2D 3D TSV

20663668

A novel series of [3.2.1] azabicyclic biaryl ethers as alpha3beta4 and alpha6/4beta4 nicotinic receptor agonists.

Bioorg Med Chem Lett 20: 4749-52 (2010)

Pfizer Inc

2D 3D TSV

20663667

Optimization of alpha-ketoamide based p38 inhibitors through modifications to the region that binds to the allosteric site.

Bioorg Med Chem Lett 20: 4819-24 (2010)

K£mia, Inc.

2D 3D TSV

20662543

Synthesis and antiproliferative evaluation of certain indeno[1,2-c]quinoline derivatives. Part 2.

J Med Chem 53: 6164-79 (2010)

Kaohsiung Medical University

2D 3D TSV

20662542

Design, synthesis, and structure-affinity relationships of regioisomeric N-benzyl alkyl ether piperazine derivatives as sigma-1 receptor ligands.

J Med Chem 53: 6228-39 (2010)

University of Sydney

2D 3D TSV

20660667

Lersivirine, a nonnucleoside reverse transcriptase inhibitor with activity against drug-resistant human immunodeficiency virus type 1.

Antimicrob Agents Chemother 54: 4451-63 (2010)

Pfizer Inc.

2D 3D TSV

20660663

Expression, purification, and characterization of Aspergillus fumigatus sterol 14-alpha demethylase (CYP51) isoenzymes A and B.

Antimicrob Agents Chemother 54: 4225-34 (2010)

Swansea University

2D 3D TSV

20659804

Synthesis and T-type calcium channel blocking activity of novel diphenylpiperazine compounds, and evaluation of in vivo analgesic activity.

Bioorg Med Chem 18: 5938-44 (2010)

Ewha Womans University

2D 3D TSV

20659802

Hit-to-lead optimization of a series of carboxamides of ethyl 2-amino-4-phenylthiazole-5-carboxylates as novel adenosine A2A receptor antagonists.

Bioorg Med Chem Lett 20: 5241-4 (2010)

H. Lundbeck A/S

2D 3D TSV

20659801

A mutant selective anti-estrogen is a pure antagonist on EREs and AP-1 response elements.

Bioorg Med Chem Lett 20: 5258-61 (2010)

University of Delaware

2D 3D TSV

20659799

New halogenated 3-phenylcoumarins as potent and selective MAO-B inhibitors.

Bioorg Med Chem Lett 20: 5157-60 (2010)

Universidad de Santiago de Compostela

2D 3D TSV

20656495

Multipotent drugs with cholinergic and neuroprotective properties for the treatment of Alzheimer and neuronal vascular diseases. I. Synthesis, biological assessment, and molecular modeling of simple and readily available 2-aminopyridine-, and 2-chloropyridine-3,5-dicarbonitriles.

Bioorg Med Chem 18: 5861-72 (2010)

Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC)

2D 3D TSV

20656494

Characterization of new PPARgamma agonists: benzimidazole derivatives-importance of positions 5 and 6, and computational studies on the binding mode.

Bioorg Med Chem 18: 5885-95 (2010)

Freie Universität Berlin

2D 3D TSV

20656488

Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).

Bioorg Med Chem Lett 20: 5184-90 (2010)

Pfizer Inc

2D 3D TSV

20656487

Fragment-based discovery and optimization of BACE1 inhibitors.

Bioorg Med Chem Lett 20: 5329-33 (2010)

Evotec UK Ltd

2D 3D TSV

20656484

Modification at the acidic domain of RXR agonists has little effect on permissive RXR-heterodimer activation.

Bioorg Med Chem Lett 20: 5139-42 (2010)

Okayama University

2D 3D TSV

20656482

Synthesis and in vitro binding studies of piperazine-alkyl-naphthamides: impact of homology and sulphonamide/carboxamide bioisosteric replacement on the affinity for 5-HT1A, alpha2A, D4.2, D3 and D2L receptors.

Bioorg Med Chem Lett 20: 5199-202 (2010)

University of Liège

2D 3D TSV

20655754

Improved inhibition of the histone acetyltransferase PCAF by an anacardic acid derivative.

Bioorg Med Chem 18: 5826-34 (2010)

Groningen Research Institute of Pharmacy

2D 3D TSV

20655748

Synthesis and SAR of (piperazin-1-yl-phenyl)-arylsulfonamides: a novel series of atypical antipsychotic agents.

Bioorg Med Chem Lett 20: 5221-4 (2010)

Korea Research Institute of Chemical Technology

2D 3D TSV

20655626

Synthesis and CYP24A1 inhibitory activity of (E)-2-(2-substituted benzylidene)- and 2-(2-substituted benzyl)-6-methoxy-tetralones.

Eur J Med Chem 45: 4427-34 (2010)

Cardiff University

2D 3D TSV

20655237

Natural and semisynthetic azaphilones as a new scaffold for Hsp90 inhibitors.

Bioorg Med Chem 18: 6031-43 (2010)

Universit£ di Milano

2D 3D TSV

20655219

Structure-activity studies on acetylcholinesterase inhibition in the lycorine series of Amaryllidaceae alkaloids.

Bioorg Med Chem Lett 20: 5290-4 (2010)

McMaster University

2D 3D TSV

20655218

A physical properties based approach for the exploration of a 4-hydroxybenzothiazolone series of beta2-adrenoceptor agonists as inhaled long-acting bronchodilators.

Bioorg Med Chem Lett 20: 5302-7 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20655213

Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists.

Bioorg Med Chem Lett 20: 5269-73 (2010)

Sunesis Pharmaceuticals Inc

2D 3D TSV

20655211

Triaryl (Z)-olefins suitable for radiolabeling with carbon-11 or fluorine-18 radionuclides for positron emission tomography imaging of cyclooxygenase-2 expression in pathological disease.

Bioorg Med Chem Lett 20: 5245-50 (2010)

University of Alberta

2D 3D TSV

20655210

X-ray crystal structure of JNK2 complexed with the p38alpha inhibitor BIRB796: insights into the rational design of DFG-out binding MAP kinase inhibitors.

Bioorg Med Chem Lett 20: 5217-20 (2010)

Roche Palo Alto

2D 3D TSV

20655209

Synthesis of N-aryl-3-(indol-3-yl)propanamides and their immunosuppressive activities.

Bioorg Med Chem Lett 20: 5203-6 (2010)

Université de Nantes

2D 3D TSV

20650641

Design, synthesis, and biological evaluation of ketoprofen analogs as potent cyclooxygenase-2 inhibitors.

Bioorg Med Chem 18: 5855-60 (2010)

Shahid Beheshti University of Medical Sciences

2D 3D TSV

20650640

Dual inhibitors of inosine monophosphate dehydrogenase and histone deacetylase based on a cinnamic hydroxamic acid core structure.

Bioorg Med Chem 18: 5950-64 (2010)

University of Minnesota

2D 3D TSV

20650636

Discovery of a factor Xa inhibitor (3R,4R)-1-(2,2-difluoro-ethyl)-pyrrolidine-3,4-dicarboxylic acid 3-[(5-chloro-pyridin-2-yl)-amide] 4-[[2-fluoro-4-(2-oxo-2H-pyridin-1-yl)-phenyl]-amide] as a clinical candidate.

Bioorg Med Chem Lett 20: 5313-9 (2010)

F. Hoffmann-La Roche Inc

2D 3D TSV

118

20650635

Novel Notch-sparing gamma-secretase inhibitors derived from a peroxisome proliferator-activated receptor agonist library.

Bioorg Med Chem Lett 20: 5282-5 (2010)

Okayama University Graduate School of Medicine

2D 3D TSV

20650633

Identification of novel monoamine oxidase B inhibitors by structure-based virtual screening.

Bioorg Med Chem Lett 20: 5295-8 (2010)

Northeastern Ohio Universities

2D 3D TSV

20646926

The GABA(A) receptor as a target for photochromic molecules.

Bioorg Med Chem 18: 7731-8 (2010)

University of Massachusetts

2D 3D TSV

20643554

Synthesis of aryl-heteroaryl ureas (AHUs) based on 4-aminoquinoline and their evaluation against the insulin-like growth factor receptor (IGF-1R).

Bioorg Med Chem 18: 5995-6005 (2010)

San Francisco State University

2D 3D TSV

20643547

4-Anilino-6-phenyl-quinoline inhibitors of mitogen activated protein kinase-activated protein kinase 2 (MK2).

Bioorg Med Chem Lett 20: 4738-40 (2010)

AstraZeneca R & D Lund

2D 3D TSV

20643546

Synthesis and cannabinoid-1 receptor binding affinity of conformationally constrained analogs of taranabant.

Bioorg Med Chem Lett 20: 4757-61 (2010)

Merck Research Laboratories

2D 3D TSV

20639113

An integrative in silico methodology for the identification of modulators of macrophage migration inhibitory factor (MIF) tautomerase activity.

Bioorg Med Chem 18: 5425-40 (2010)

Brain Mind Institute

2D 3D TSV

20638853

Functional profiling of p53-binding sites in Hdm2 and Hdmx using a genetic selection system.

Bioorg Med Chem 18: 6099-108 (2010)

Purdue University

2D 3D TSV

20638844

1-Methyl-1H-pyrrole-2-carbonitrile containing tetrahydronaphthalene derivatives as non-steroidal progesterone receptor antagonists.

Bioorg Med Chem Lett 20: 4816-8 (2010)

Pfizer Inc

2D 3D TSV

20638843

Discovery of novel alpha7 nicotinic receptor antagonists.

Bioorg Med Chem Lett 20: 4825-30 (2010)

Intra-Cellular Therapies Inc

2D 3D TSV

20638757

Exploring benzcyclo derivatives as potent aromatase inhibitors using ligand-based modeling studies.

Eur J Med Chem 45: 4307-15 (2010)

University of Calcutta

2D 3D TSV

20638756

Inhibitors of human neutrophil elastase based on a highly functionalized N-amino-4-imidazolidinone scaffold.

Eur J Med Chem 45: 4280-7 (2010)

Wichita State University

2D 3D TSV

20638755

Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay.

Eur J Med Chem 45: 4316-30 (2010)

University of Jordan

2D 3D TSV

20638290

A new metabotropic glutamate receptor agonist with in vivo anti-allodynic activity.

Bioorg Med Chem 18: 6089-98 (2010)

The University of Adelaide

2D 3D TSV

20638287

Synthesis of novel 3,5-diaryl pyrazole derivatives using combinatorial chemistry as inhibitors of tyrosinase as well as potent anticancer, anti-inflammatory agents.

Bioorg Med Chem 18: 6149-55 (2010)

Solapur University

2D 3D TSV

20638281

Structure and activity relationships of tartrate-based TACE inhibitors.

Bioorg Med Chem Lett 20: 4812-5 (2010)

Merck Research Laboratories

2D 3D TSV

20638280

Refinement of the pharmacophore of 3,4-dihydroquinazoline-2(1H)-thiones for their anti-melanogenesis activity.

Bioorg Med Chem Lett 20: 4771-3 (2010)

Chungnam National University

2D 3D TSV

20638279

An orally bioavailable positive allosteric modulator of the mGlu4 receptor with efficacy in an animal model of motor dysfunction.

Bioorg Med Chem Lett 20: 4901-5 (2010)

Evotec (UK) Ltd

2D 3D TSV

20638278

Synthesis and pharmacological validation of a novel series of non-steroidal FXR agonists.

Bioorg Med Chem Lett 20: 4911-7 (2010)

Phenex Pharmaceuticals AG

2D 3D TSV

145

20637637

Role of 2',6'-dimethyl-l-tyrosine (Dmt) in some opioid lead compounds.

Bioorg Med Chem 18: 6024-30 (2010)

University of Cagliari

2D 3D TSV

20637636

Synthesis of pyridazine and thiazole analogs as SGLT2 inhibitors.

Bioorg Med Chem 18: 6069-79 (2010)

Green Cross Corporation

2D 3D TSV

20637635

Further optimization of novel pyrrole 3-carboxamides for targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant.

Bioorg Med Chem 18: 6156-69 (2010)

Green Cross Corporation

2D 3D TSV

180

20637634

Novel aminopeptidase N (APN/CD13) inhibitors derived from 3-phenylalanyl-N'-substituted-2,6-piperidinedione.

Bioorg Med Chem 18: 5981-7 (2010)

Shandong University

2D 3D TSV

20637613

Tetrahydropyridine derivatives with inhibitory activity on the production of proinflammatory cytokines: part 3.

Bioorg Med Chem Lett 20: 4774-8 (2010)

Daiichi Sankyo Co., Ltd

2D 3D TSV

20637612

Integrated ligand and structure based studies of flavonoids as fatty acid biosynthesis inhibitors of Plasmodium falciparum.

Bioorg Med Chem Lett 20: 4779-81 (2010)

CSIR-Central Drug Research Institute

2D 3D TSV

20637607

3-D-QSAR and docking studies on the neuronal choline transporter.

Bioorg Med Chem Lett 20: 4870-7 (2010)

Northeastern Ohio Universities Colleges of Medicine and Pharmacy

2D 3D TSV

20637529

Design and synthesis of novel isoxazole-based HDAC inhibitors.

Eur J Med Chem 45: 4331-8 (2010)

Università degli Studi di Milano

2D 3D TSV

20636331

Structural combination of established 5-HT(2A) receptor ligands: new aspects of the binding mode.

Chem Biol Drug Des 76: 361-6 (2010)

University of Mainz

2D 3D TSV

20634081

New bioactive halenaquinone derivatives from South Pacific marine sponges of the genus Xestospongia.

Bioorg Med Chem 18: 6006-11 (2010)

National Museum of Natural History

2D 3D TSV

20634080

Syntheses and pharmacological characterization of novel thiazole derivatives as potential mGluR5 PET ligands.

Bioorg Med Chem 18: 6044-54 (2010)

ETH Zurich (Swiss Federal Institute of Technology)

2D 3D TSV

20634071

Synthesis and biological activity of a series of tetrasubstituted-imidazoles as P2X(7) antagonists.

Bioorg Med Chem Lett 20: 4951-4 (2010)

GlaxoSmithKline

2D 3D TSV

20634069

Improving the permeability of the hydroxyethylamine BACE-1 inhibitors: structure-activity relationship of P2' substituents.

Bioorg Med Chem Lett 20: 4789-94 (2010)

Elan Pharmaceuticals

2D 3D TSV

20634068

Discovery and optimization of pyrazoline compounds as B-Raf inhibitors.

Bioorg Med Chem Lett 20: 4800-4 (2010)

Millennium Pharmaceuticals Inc

2D 3D TSV

20634067

Design, synthesis, and structure-activity relationship study of conformationally constrained analogs of indole-3-carboxamides as novel CB1 cannabinoid receptor agonists.

Bioorg Med Chem Lett 20: 4918-21 (2010)

Schering-Plough Research Institute

2D 3D TSV

20634066

Improvement of both plasmepsin inhibitory activity and antimalarial activity by 2-aminoethylamino substitution.

Bioorg Med Chem Lett 20: 4836-9 (2010)

Kyoto Pharmaceutical University

2D 3D TSV

20630765

New chloro,fluorobenzylindole derivatives as integrase strand-transfer inhibitors (INSTIs) and their mode of action.

Bioorg Med Chem 18: 5510-8 (2010)

Universit£ di Messina

2D 3D TSV

20630764

N(epsilon)-Modified lysine containing inhibitors for SIRT1 and SIRT2.

Bioorg Med Chem 18: 5616-25 (2010)

University of Eastern Finland

2D 3D TSV

20630754

Synthesis and structure-activity relationship of N-(3-azabicyclo[3.1.0]hex-6-ylmethyl)-5-(2-pyridinyl)-1,3-thiazol-2-amines derivatives as NPY Y5 antagonists.

Bioorg Med Chem Lett 20: 4741-4 (2010)

GlaxoSmithKline

2D 3D TSV

20630752

Discovery and optimization of N-acyl and N-aroylpyrazolines as B-Raf kinase inhibitors.

Bioorg Med Chem Lett 20: 4795-9 (2010)

Millennium Pharmaceuticals Inc

2D 3D TSV

20627738

Long-acting anticholinesterases for myasthenia gravis: synthesis and activities of quaternary phenylcarbamates of neostigmine, pyridostigmine and physostigmine.

Bioorg Med Chem 18: 4687-93 (2011)

National Institute on Aging

2D 3D TSV

20627722

Identification of a sulfonamide series of CCR2 antagonists.

Bioorg Med Chem Lett 20: 3961-4 (2010)

GlaxoSmithKline

2D 3D TSV

20627597

Synthesis and biological evaluation of pyrazole derivatives containing thiourea skeleton as anticancer agents.

Bioorg Med Chem 18: 4606-14 (2011)

Nanjing University

2D 3D TSV

20627594

Inhibition of prolyl oligopeptidase with a synthetic unnatural dipeptide.

Bioorg Med Chem 18: 4775-82 (2011)

The University of Warwick

2D 3D TSV

20627591

Design and synthesis of novel hydroxyalkylaminomethylchromones for their IL-5 inhibitory activity.

Bioorg Med Chem 18: 4625-9 (2011)

Chungnam National University

2D 3D TSV

20627564

Activity of substituted thiophene sulfonamides against malarial and mammalian cyclin dependent protein kinases.

Bioorg Med Chem Lett 20: 3863-7 (2010)

Walter Reed Army Institute of Research

2D 3D TSV

20627562

Cell cycle arrest and cytochrome c-mediated apoptotic induction by MCS-5A is associated with up-regulation of p16(INK4a) in HL-60 cells.

Bioorg Med Chem Lett 20: 3880-4 (2010)

Kyunggi-Do

2D 3D TSV

20627559

Inhibition of ABCG2-mediated drug efflux by naphthopyrones from marine crinoids.

Bioorg Med Chem Lett 20: 3848-50 (2010)

NCI-Frederick

2D 3D TSV

20627557

Design and synthesis of benzoazepin-2-one analogs as allosteric binders targeting the PIF pocket of PDK1.

Bioorg Med Chem Lett 20: 3897-902 (2010)

Genomics Institute of the Novartis Research Foundation

2D 3D TSV

20627471

Synthesis and evaluation of some novel dibenzo[b,d]furan carboxylic acids as potential anti-diabetic agents.

Eur J Med Chem 45: 3709-18 (2010)

Glenmark Research Center

2D 3D TSV

20626411

Fragment-based discovery of novel thymidylate synthase leads by NMR screening and group epitope mapping.

Chem Biol Drug Des 76: 218-33 (2010)

University of Washington

2D 3D TSV

20625148

Chemical validation of phosphodiesterase C as a chemotherapeutic target in Trypanosoma cruzi, the etiological agent of Chagas' disease.

Antimicrob Agents Chemother 54: 3738-45 (2010)

University of Georgia

2D 3D TSV

20624682

Mutation of Phe91 to Asn in human carbonic anhydrase I unexpectedly enhanced both catalytic activity and affinity for sulfonamide inhibitors.

Bioorg Med Chem 18: 5498-503 (2010)

Balikesir University

2D 3D TSV

20621730

Synthesis and biological evaluation of oxazole derivatives as T-type calcium channel blockers.

Bioorg Med Chem Lett 20: 4219-22 (2010)

Institute of Science and Technology

2D 3D TSV

20621728

Structure-based design and synthesis of pyrrole derivatives as MEK inhibitors.

Bioorg Med Chem Lett 20: 4156-8 (2010)

Takeda California Inc

2D 3D TSV

20621725

Structure-based optimization of potent PDK1 inhibitors.

Bioorg Med Chem Lett 20: 4095-9 (2010)

Nerviano Medical Sciences srl

2D 3D TSV

20621724

Subtype-selectivity of metal-dependent methionine aminopeptidase inhibitors.

Bioorg Med Chem Lett 20: 4038-44 (2010)

Universit£t Heidelberg

2D 3D TSV

20621496

The design, synthesis, and evaluation of 8 hybrid DFG-out allosteric kinase inhibitors: a structural analysis of the binding interactions of Gleevec, Nexavar, and BIRB-796.

Bioorg Med Chem 18: 5738-48 (2010)

The University of Arizona

2D 3D TSV

20621492

Genomic action of permanently charged tamoxifen derivatives via estrogen receptor-alpha.

Bioorg Med Chem 18: 5593-601 (2010)

Instituto Politécnico Nacional 2508

2D 3D TSV

20621488

Synthesis and pharmacology of 1-methoxy analogs of CP-47,497.

Bioorg Med Chem 18: 5475-82 (2010)

Clemson University

2D 3D TSV

20621485

Pharmacophore identification, synthesis, and biological evaluation of carboxylated chalcone derivatives as CysLT1 antagonists.

Bioorg Med Chem 18: 5519-27 (2010)

Zhejiang University

2D 3D TSV

20621478

Concise synthesis and CDK/GSK inhibitory activity of the missing 9-azapaullones.

Bioorg Med Chem Lett 20: 4940-4 (2010)

Trinity College

2D 3D TSV

20621477

Synthesis of potent chemical inhibitors of dynamin GTPase.

Bioorg Med Chem Lett 20: 4858-64 (2010)

Gwangju Institute of Science and Technology

2D 3D TSV

20621473

Discovery of potent, selective, and orally bioavailable 3H-spiro[isobenzofuran-1,4'-piperidine] based melanocortin subtype-4 receptor agonists.

Bioorg Med Chem Lett 20: 4895-900 (2010)

Merck Research Laboratories

2D 3D TSV

20620068

Dual-target-directed 1,3-diphenylurea derivatives: BACE 1 inhibitor and metal chelator against Alzheimer's disease.

Bioorg Med Chem 18: 5610-5 (2010)

Zhejiang University

2D 3D TSV

20620066

Substrate specificity and inhibitory study of human airway trypsin-like protease.

Bioorg Med Chem 18: 5504-9 (2010)

Faculty of Chemistry Gdansk University

2D 3D TSV

20620059

Enhanced selectivity profile of pyrazole-urea based DFG-out p38alpha inhibitors.

Bioorg Med Chem Lett 20: 4885-91 (2010)

Pfizer Inc

2D 3D TSV

20620058

Smoothened antagonists for hair inhibition.

Bioorg Med Chem Lett 20: 4932-5 (2010)

Pfizer Inc

2D 3D TSV

20619664

Synthesis, binding and bioactivity of gamma-methylene gamma-lactam ecdysone receptor ligands: advantages of QSAR models for flexible receptors.

Bioorg Med Chem 18: 5647-60 (2010)

CSIRO Molecular and Health Technologies

2D 3D TSV

20619644

A newly synthesized, potent tyrosinase inhibitor: 5-(6-hydroxy-2-naphthyl)-1,2,3-benzenetriol.

Bioorg Med Chem Lett 20: 4882-4 (2010)

Pusan National University

2D 3D TSV

20617791

Biological and conformational evaluation of bifunctional compounds for opioid receptor agonists and neurokinin 1 receptor antagonists possessing two penicillamines.

J Med Chem 53: 5491-501 (2010)

University of Arizona

2D 3D TSV

20615716

Investigations on the 2-thiazolylhydrazyne scaffold: synthesis and molecular modeling of selective human monoamine oxidase inhibitors.

Bioorg Med Chem 18: 5715-23 (2010)

Sapienza University of Rome

2D 3D TSV

20615710

Elucidation of the topography of the thapsigargin binding site in the sarco-endoplasmic calcium ATPase.

Bioorg Med Chem 18: 5634-46 (2010)

University of Copenhagen

2D 3D TSV

20615702

GPR109a agonists. Part 2: pyrazole-acids as agonists of the human orphan G-protein coupled receptor GPR109a.

Bioorg Med Chem Lett 20: 4472-4 (2010)

Merck Research Laboratories

2D 3D TSV

20615699

LuxR-dependent quorum sensing: computer aided discovery of new inhibitors structurally unrelated to N-acylhomoserine lactones.

Bioorg Med Chem Lett 20: 4355-8 (2010)

INSA

2D 3D TSV

20615697

Carbamoyloximes as novel non-competitive mGlu5 receptor antagonists.

Bioorg Med Chem Lett 20: 4371-5 (2010)

Gedeon Richter Plc

2D 3D TSV

20615696

Pyrido[2,3-b]pyrazines, discovery of TRPV1 antagonists with reduced potential for the formation of reactive metabolites.

Bioorg Med Chem Lett 20: 4359-63 (2010)

Neurogen Corporation

2D 3D TSV

20615695

Peptide deformylase inhibitors with retro-amide scaffold: synthesis and structure-activity relationships.

Bioorg Med Chem Lett 20: 4317-9 (2010)

Seoul National University

2D 3D TSV

20615694

Selective delivery of 2-hydroxy APA to Trypanosoma brucei using the melamine motif.

Bioorg Med Chem Lett 20: 4364-6 (2010)

University of Dundee

2D 3D TSV

20615693

Tricyclic imidazole antagonists of the Neuropeptide S Receptor.

Bioorg Med Chem Lett 20: 4704-8 (2010)

Merck Research Laboratories

2D 3D TSV

20615692

The discovery of potent inhibitors of aldosterone synthase that exhibit selectivity over 11-beta-hydroxylase.

Bioorg Med Chem Lett 20: 4324-7 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20615583

Probing the binding site of curcumin in Escherichia coli and Bacillus subtilis FtsZ--a structural insight to unveil antibacterial activity of curcumin.

Eur J Med Chem 45: 4209-14 (2010)

National Institute of Pharmaceutical Education and Research

2D 3D TSV

20614940

Protein lysine methyltransferase G9a inhibitors: design, synthesis, and structure activity relationships of 2,4-diamino-7-aminoalkoxy-quinazolines.

J Med Chem 53: 5844-57 (2010)

University of North Carolina at Chapel Hill

2D 3D TSV

20614889

Discovery of N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]-2-propanesulfonamide, a novel clinical AMPA receptor positive modulator.

J Med Chem 53: 5801-12 (2010)

GlaxoSmithKline

2D 3D TSV

20610153

Discovery of 3,9-diazabicyclo[4.2.1]nonanes as potent dual orexin receptor antagonists with sleep-promoting activity in the rat.

Bioorg Med Chem Lett 20: 4201-5 (2010)

Merck Research Laboratories

2D 3D TSV

20610152

Synthesis and biological evaluation of novel biotin-iminoalditol conjugates.

Bioorg Med Chem Lett 20: 4077-9 (2010)

Technische Universit£t Graz

2D 3D TSV

20609590

Efficient synthesis of Hsp90 inhibitor dimers as potential antitumor agents.

Bioorg Med Chem 18: 5732-7 (2010)

Hokkaido University

2D 3D TSV

20609585

Biaryl ethers as potent allosteric inhibitors of reverse transcriptase and its key mutant viruses: aryl substituted pyrazole as a surrogate for the pyrazolopyridine motif.

Bioorg Med Chem Lett 20: 4328-32 (2010)

Merck Research Laboratory

2D 3D TSV

20609415

Chemical proteomics identifies Nampt as the target of CB30865, an orphan cytotoxic compound.

Chem Biol 17: 659-64 (2010)

Kyowa Hakko Kogyo Co., Ltd

2D 3D TSV

20608738

ATPases as drug targets: insights from heat shock proteins 70 and 90.

J Med Chem 53: 7280-6 (2010)

Vernalis R&D Ltd

2D 3D TSV

20606069

Inhibition of antibiotic-resistant Staphylococcus aureus by the broad-spectrum dihydrofolate reductase inhibitor RAB1.

Antimicrob Agents Chemother 54: 3825-33 (2010)

Oklahoma State University

2D 3D TSV

20606062

In vitro potentiation of carbapenems with ME1071, a novel metallo-beta-lactamase inhibitor, against metallo-beta-lactamase- producing Pseudomonas aeruginosa clinical isolates.

Antimicrob Agents Chemother 54: 3625-9 (2010)

Toho University School of Medicine

2D 3D TSV

20605720

Amide conjugates of ketoprofen and indole as inhibitors of Gli1-mediated transcription in the Hedgehog pathway.

Bioorg Med Chem 18: 4801-11 (2011)

St. Jude Children's Research Hospital

2D 3D TSV

20605472

[d4U]-spacer-[HI-236] double-drug inhibitors of HIV-1 reverse-transcriptase.

Bioorg Med Chem 18: 4661-73 (2010)

University of Cape Town

2D 3D TSV

20605451

C(2)-Symmetric azobenzene-amino acid conjugates and their inhibition of Subtilisin Kexin Isozyme-1.

Bioorg Med Chem Lett 20: 3977-81 (2010)

Indian Institute of Technology

2D 3D TSV

20605448

Design, synthesis and anticancer activity of piperazine hydroxamates and their histone deacetylase (HDAC) inhibitory activity.

Bioorg Med Chem Lett 20: 3906-10 (2010)

Birla Institute of Technology

2D 3D TSV

20605276

1,3-Dioxolane-based ligands incorporating a lactam or imide moiety: structure-affinity/activity relationship at alpha1-adrenoceptor subtypes and at 5-HT1A receptors.

Eur J Med Chem 45: 3740-51 (2010)

Universit£ degli Studi di Modena e Reggio Emilia

2D 3D TSV

20605099

Further delineation of hydrophobic binding sites in dopamine D(2)/D(3) receptors for N-4 substituents on the piperazine ring of the hybrid template 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol.

Bioorg Med Chem 18: 5661-74 (2010)

Wayne State University

2D 3D TSV

20605094

Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a less utilized binding pocket than most hydrophobic inhibitors.

Bioorg Med Chem Lett 20: 4376-81 (2010)

University of Florida

2D 3D TSV

20604568

Synthesis and structure-activity relationships of N-(2-oxo-3-oxetanyl)amides as N-acylethanolamine-hydrolyzing acid amidase inhibitors.

J Med Chem 53: 5770-81 (2010)

University of California

2D 3D TSV

20604564

A type-II kinase inhibitor capable of inhibiting the T315I"gatekeeper" mutant of Bcr-Abl.

J Med Chem 53: 5439-48 (2010)

Harvard Medical School

2D 3D TSV

20599386

Evaluation of N-substitution in 6,7-benzomorphan compounds.

Bioorg Med Chem 18: 4975-82 (2010)

University of Catania

2D 3D TSV

20598892

Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase.

Bioorg Med Chem 18: 5056-62 (2010)

University of Dundee

2D 3D TSV

20598885

Derivatives of tetrahydroisoquinoline: synthesis and initial evaluation of novel non-peptide antagonists of the alpha(IIb)beta(3)-integrin.

Bioorg Med Chem Lett 20: 4444-6 (2010)

A.V. Bogatsky Physico-Chemical Institute of the National Academy of Sciences of Ukraine

2D 3D TSV

20598884

3-Cyano-5-fluoro-N-arylbenzamides as negative allosteric modulators of mGlu(5): Identification of easily prepared tool compounds with CNS exposure in rats.

Bioorg Med Chem Lett 20: 4390-4 (2010)

Vanderbilt University Medical Center

2D 3D TSV

20598883

6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.

Bioorg Med Chem Lett 20: 4350-4 (2010)

Merck Research Laboratories

2D 3D TSV

20598882

Spiroindane based amides as potent and selective MC4R agonists for the treatment of obesity.

Bioorg Med Chem Lett 20: 4399-405 (2010)

Merck Research Laboratories

2D 3D TSV

20598880

Discovery of novel sphingosine kinase-1 inhibitors. Part 2.

Bioorg Med Chem Lett 20: 4550-4 (2010)

Genzyme Corporation

2D 3D TSV

20598780

Tricyclononene carboxamide derivatives as novel anti-HIV-1 agents.

Eur J Med Chem 45: 4096-103 (2010)

Beijing Institute of Biotechnology

2D 3D TSV

20598555

2-phenyl-1-[4-(2-piperidine-1-yl-ethoxy)benzyl]-1H-benzimidazoles as ligands for the estrogen receptor: synthesis and pharmacological evaluation.

Bioorg Med Chem 18: 4905-16 (2010)

Freie Universit£t Berlin

2D 3D TSV

20598554

Syntheses and herbicidal activity of new triazolopyrimidine-2-sulfonamides as acetohydroxyacid synthase inhibitor.

Bioorg Med Chem 18: 4897-904 (2010)

Central China Normal University

2D 3D TSV

20598553

Constrained peptidomimetics as antiplasmodial falcipain-2 inhibitors.

Bioorg Med Chem 18: 4928-38 (2010)

Universit£ di Messina

2D 3D TSV

20598552

Coumarinyl-substituted sulfonamides strongly inhibit several human carbonic anhydrase isoforms: solution and crystallographic investigations.

Bioorg Med Chem 18: 4873-8 (2010)

University of Florida

2D 3D TSV

20598535

beta-Secretase (BACE-1) inhibitory effect of biflavonoids.

Bioorg Med Chem Lett 20: 4558-60 (2010)

Shujitsu University

2D 3D TSV

20598534

Synthesis and SAR of azolopyrimidines as potent and selective dipeptidyl peptidase-4 (DPP4) inhibitors for type 2 diabetes.

Bioorg Med Chem Lett 20: 4395-8 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

Optimization of privileged structures for selective and potent melanocortin subtype-4 receptor ligands.

20598533

Bioorg Med Chem Lett 20: 4483-6 (2010)

Merck Research Laboratories

2D 3D TSV

20597489

Synthesis, fluorine-18 radiolabeling, and biological evaluation of N-((E)-4-fluorobut-2-en-1-yl)-2beta-carbomethoxy-3beta-(4'-halophenyl)nortropanes: candidate radioligands for in vivo imaging of the brain dopamine transporter with positron emission tomography.

J Med Chem 53: 5549-57 (2010)

Emory University

2D 3D TSV

20597485

Structural basis for inhibition of Eg5 by dihydropyrimidines: stereoselectivity of antimitotic inhibitors enastron, dimethylenastron and fluorastrol.

J Med Chem 53: 5676-83 (2010)

Institute for Cancer Research

2D 3D TSV

20597484

Novel hinge binder improves activity and pharmacokinetic properties of BRAF inhibitors.

J Med Chem 53: 5639-55 (2010)

The Institute of Cancer Research

2D 3D TSV

170

20594862

Synthesis and CYP24A1 inhibitory activity of N-(2-(1H-imidazol-1-yl)-2-phenylethyl)arylamides.

Bioorg Med Chem 18: 4939-46 (2010)

Cardiff University

2D 3D TSV

20594859

Synthesis, molecular modeling, and biological evaluation of cinnamic acid metronidazole ester derivatives as novel anticancer agents.

Bioorg Med Chem 18: 4991-6 (2010)

Nanjing University

2D 3D TSV

20594847

In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part I.

Bioorg Med Chem Lett 20: 4715-8 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20594845

Addressing PXR liabilities of phthalazine-based hedgehog/smoothened antagonists using novel pyridopyridazines.

Bioorg Med Chem Lett 20: 4607-10 (2010)

Amgen Inc

2D 3D TSV

20594842

Heteroaryl-linked 5-(1H-benzimidazol-1-yl)-2-thiophenecarboxamides: potent inhibitors of polo-like kinase 1 (PLK1) with improved drug-like properties.

Bioorg Med Chem Lett 20: 4587-92 (2010)

GlaxoSmithKline

2D 3D TSV

20594841

2-Phenyl-9H-purine-6-carbonitrile derivatives as selective cathepsin S inhibitors.

Bioorg Med Chem Lett 20: 4447-50 (2010)

Merck Research Laboratories

2D 3D TSV

123

20594840

Design, synthesis, and structure-activity relationships of pyrazole derivatives as potential FabH inhibitors.

Bioorg Med Chem Lett 20: 4657-60 (2010)

Nanjing University

2D 3D TSV

20594839

Synthesis and pharmacological evaluation of aryl aminosulfonamide derivatives as potent 5-HT(6) receptor antagonists.

Bioorg Med Chem Lett 20: 4440-3 (2010)

Suven Life Sciences Ltd

2D 3D TSV

20593789

Heteroadamantyl cannabinoids.

J Med Chem 53: 5656-66 (2010)

University of Hawaii at Manoa

2D 3D TSV

20591679

Development of chemical probes: toward the mode of action of a methylene-linked di(aryl acetate) E1.

Bioorg Med Chem 18: 4917-27 (2010)

University College London

2D 3D TSV

20591669

In vivo and in vitro SAR of tetracyclic MAPKAP-K2 (MK2) inhibitors. Part II.

Bioorg Med Chem Lett 20: 4719-23 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20591666

A new group of oxime carbamates as reversible inhibitors of fatty acid amide hydrolase.

Bioorg Med Chem Lett 20: 4406-11 (2010)

Università degli Studi di Milano

2D 3D TSV

20591663

Identification of novel alpha7 nAChR positive allosteric modulators with the use of pharmacophore in silico screening methods.

Bioorg Med Chem Lett 20: 4561-5 (2010)

GlaxoSmithKline

2D 3D TSV

20590092

Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule.

J Med Chem 53: 5511-22 (2010)

Universita degli Studi di Firenze

2D 3D TSV

273

20590088

Design and synthesis of novel tricyclic benzoxazines as potent 5-HT(1A/B/D) receptor antagonists leading to the discovery of 6-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-4H-imidazo[5,1-c][1,4]benzoxazine-3-carboxamide (GSK588045).

J Med Chem 53: 5827-43 (2010)

GlaxoSmithKline

2D 3D TSV

124

20586493

Design and synthesis of C-2 substituted thiazolo and dihydrothiazolo ring-fused 2-pyridones: pilicides with increased antivirulence activity.

J Med Chem 53: 5690-5 (2010)

Ume£ University

2D 3D TSV

20586421

Peptide HIV-1 integrase inhibitors from HIV-1 gene products.

J Med Chem 53: 5356-60 (2010)

Tokyo Medical and Dental University

2D 3D TSV

20584613

(-)-N-Formylanonaine from Michelia alba as a human tyrosinase inhibitor and antioxidant.

Bioorg Med Chem 18: 5241-7 (2010)

Kaohsiung Medical University

2D 3D TSV

20584610

Design and synthesis of 4-[3,5-dioxo-11-oxa-4,9-diazatricyclo[5.3.1.0(2,6)]undec-4-yl]-2-trifluoromethyl-benzonitriles as androgen receptor antagonists.

Bioorg Med Chem Lett 20: 4491-5 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

20584609

Rational design of a novel peripherally-restricted, orally active CB(1) cannabinoid antagonist containing a 2,3-diarylpyrrole motif.

Bioorg Med Chem Lett 20: 4573-7 (2010)

Sanofi-Aventis R&D

2D 3D TSV

20584604

Cyclic amide bioisosterism: strategic application to the design and synthesis of HCV NS5B polymerase inhibitors.

Bioorg Med Chem Lett 20: 4614-9 (2010)

Roche Palo Alto

2D 3D TSV

20583856

Nantenine as an acetylcholinesterase inhibitor: SAR, enzyme kinetics and molecular modeling investigations.

J Enzyme Inhib Med Chem 26: 46-55 (2011)

City University of New York Hunter College

2D 3D TSV

20583855

Synthesis and antiproliferative activities against Hep-G2 of salicylanide derivatives: potent inhibitors of the epidermal growth factor receptor (EGFR) tyrosine kinase.

J Enzyme Inhib Med Chem 26: 37-45 (2011)

Nanjing University

2D 3D TSV

20583854

Theoretical studies on the molecular basis of HIV-1RT/NNRTIs interactions.

J Enzyme Inhib Med Chem 26: 29-36 (2011)

Chulalongkorn University

2D 3D TSV

20580563

2-acylamino-4,6-diphenylpyridine derivatives as novel GPR54 antagonists with good brain exposure and in vivo efficacy for plasma LH level in male rats.

Bioorg Med Chem 18: 5157-71 (2010)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

20580561

Pteridine-sulfonamide conjugates as dual inhibitors of carbonic anhydrases and dihydrofolate reductase with potential antitumor activity.

Bioorg Med Chem 18: 5081-9 (2010)

Instituto Superior T£cnico

2D 3D TSV

20580553

Deoxynojirimycin and its hexosaminyl derivatives bind to natural killer cell receptors rNKR-P1A and hCD69.

Bioorg Med Chem Lett 20: 4645-8 (2010)

Universit£ di Pisa

2D 3D TSV

20580552

NF-kappaB inducing kinase (NIK) inhibitors: identification of new scaffolds using virtual screening.

Bioorg Med Chem Lett 20: 4515-20 (2010)

University of Namur

2D 3D TSV

20580236

Morphinans and isoquinolines: acetylcholinesterase inhibition, pharmacophore modeling, and interaction with opioid receptors.

Bioorg Med Chem 18: 5071-80 (2010)

University of Innsbruck and Center for Molecular Biosciences Innsbruck-CMBI

2D 3D TSV

20580234

Piperidinyl-nicotinamides as potent and selective somatostatin receptor subtype 5 antagonists.

Bioorg Med Chem Lett 20: 4521-5 (2010)

F. Hoffmann-La Roche Inc

2D 3D TSV

20580233

T-type calcium channel blockers: spiro-piperidine azetidines and azetidinones-optimization, design and synthesis.

Bioorg Med Chem Lett 20: 4602-6 (2010)

Merck Research Laboratory

2D 3D TSV

20580231

4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.

Bioorg Med Chem Lett 20: 4507-10 (2010)

Merck Research Laboratories

2D 3D TSV

20580138

Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies.

Eur J Med Chem 45: 4004-12 (2010)

Gyeongsang National University

2D 3D TSV

20579890

Synthesis, semipreparative HPLC separation, biological evaluation, and 3D-QSAR of hydrazothiazole derivatives as human monoamine oxidase B inhibitors.

Bioorg Med Chem 18: 5063-70 (2010)

Sapienza University of Rome

2D 3D TSV

Structure-activity relationships and in vivo activity of (1H-pyrazol-4-yl)acetamide antagonists of the P2X(7) receptor.

20579878

Bioorg Med Chem Lett 20: 4653-6 (2010)

GlaxoSmithKline

2D 3D TSV

20579874

BACE-1 hydroxyethylamine inhibitors using novel edge-to-face interaction with Arg-296.

Bioorg Med Chem Lett 20: 4639-44 (2010)

GlaxoSmithKline

2D 3D TSV

150

20578976

Unusual activity pattern of leucine aminopeptidase inhibitors based on phosphorus containing derivatives of methionine and norleucine.

J Enzyme Inhib Med Chem 26: 155-61 (2011)

Academy of Sciences of the Czech Republic

2D 3D TSV

20578711

Solution phase synthesis of a combinatorial library of chalcones and flavones as potent cathepsin V inhibitors.

J Comb Chem 12: 687-95 (2010)

Universidade Federal de S�o Carlo

2D 3D TSV

20578699

Complexes of bacterial nicotinate mononucleotide adenylyltransferase with inhibitors: implication for structure-based drug design and improvement.

J Med Chem 53: 5229-39 (2010)

University of Texas Southwestern Medical Center

2D 3D TSV

20576578

ortho-Substituted C-aryl glucosides as highly potent and selective renal sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors.

Bioorg Med Chem 18: 4422-32 (2010)

Chinese Academy of Sciences

2D 3D TSV

20576577

Alpneumines A-H, new anti-melanogenic indole alkaloids from Alstonia pneumatophora.

Bioorg Med Chem 18: 4415-21 (2010)

Hoshi University

2D 3D TSV

20576575

Design, synthesis, and docking of highly hypolipidemic agents: Schizosaccharomyces pombe as a new model for evaluating alpha-asarone-based HMG-CoA reductase inhibitors.

Bioorg Med Chem 18: 4238-48 (2010)

Instituto Polit£cnico Nacional (IPN)

2D 3D TSV

20576573

Pharmacophore and structure-activity relationships of integrase inhibition within a dual inhibitor scaffold of HIV reverse transcriptase and integrase.

Bioorg Med Chem 18: 4202-11 (2010)

University of Minnesota

2D 3D TSV

20576572

New aryldithiolethione derivatives as potent histone deacetylase inhibitors.

Bioorg Med Chem 18: 4187-94 (2010)

Sulfidris s.r.l.

2D 3D TSV

20576432

Celecoxib prodrugs possessing a diazen-1-ium-1,2-diolate nitric oxide donor moiety: synthesis, biological evaluation and nitric oxide release studies.

Bioorg Med Chem Lett 20: 4544-9 (2010)

University of Alberta

2D 3D TSV

20576431

Identification of glycosylated exendin-4 analogue with prolonged blood glucose-lowering activity through glycosylation scanning substitution.

Bioorg Med Chem Lett 20: 4631-4 (2010)

Shionogi and Co., Ltd

2D 3D TSV

20576329

3-Formylchromones: potential antiinflammatory agents.

Eur J Med Chem 45: 4058-64 (2010)

University of Karachi

2D 3D TSV

20575555

Synthesis, inhibitory activity of cholinesterases, and neuroprotective profile of novel 1,8-naphthyridine derivatives.

J Med Chem 53: 5129-43 (2010)

Universidad Autonoma de Madrid

2D 3D TSV

20575553

The pthaladyns: GTP competitive inhibitors of dynamin I and II GTPase derived from virtual screening.

J Med Chem 53: 5267-80 (2010)

The University of Newcastle

2D 3D TSV

20575550

Analysis of the binding of mixed lineage leukemia 1 (MLL1) and histone 3 peptides to WD repeat domain 5 (WDR5) for the design of inhibitors of the MLL1-WDR5 interaction.

J Med Chem 53: 5179-85 (2010)

University of Michigan

2D 3D TSV

20573509

3-Cyano-6-(5-methyl-3-pyrazoloamino)pyridines: selective Aurora A kinase inhibitors.

Bioorg Med Chem Lett 20: 4709-11 (2010)

Mitsubishi Tanabe Pharma Corporation

2D 3D TSV

20573508

Aryl sulfonamides containing tetralin allylic amines as potent and selective bradykinin B1 receptor antagonists.

Bioorg Med Chem Lett 20: 4593-7 (2010)

Amgen Inc

2D 3D TSV

20573506

A specific and direct comparison of the trifluoromethyl and pentafluoro sulfanyl groups on the selective dopamine D(3) antagonist 3-(3-{[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}propyl)-1-phenyl-3-azabicyclo[3.1.0]hexane template.

Bioorg Med Chem Lett 20: 4566-8 (2010)

GlaxoSmithKline

2D 3D TSV

20570529

Synthesis and structure-affinity relationships of novel small molecule natural product derivatives capable of discriminating between serotonin 5-HT1A, 5-HT2A, 5-HT2C receptor subtypes.

Bioorg Med Chem 18: 4783-92 (2011)

University of North Texas Health Science Center

2D 3D TSV

20570528

Synthesis and biological evaluation of 5-substituted and 4,5-disubstituted-2-arylamino oxazole TRPV1 antagonists.

Bioorg Med Chem 18: 4821-9 (2011)

Abbott Laboratories

2D 3D TSV

20570527

Synthesis and anti-HIV activity of 2-naphthyl substituted DAPY analogues as non-nucleoside reverse transcriptase inhibitors.

Bioorg Med Chem 18: 4601-5 (2010)

Fudan University

2D 3D TSV

20570526

Synthesis and structure-activity relationship of 6-arylureido-3-pyrrol-2-ylmethylideneindolin-2-one derivatives as potent receptor tyrosine kinase inhibitors.

Bioorg Med Chem 18: 4674-86 (2011)

National Taiwan University

2D 3D TSV

20570525

Discovery of novel purine derivatives with potent and selective inhibitory activity against c-Src tyrosine kinase.

Bioorg Med Chem 18: 4615-24 (2011)

Chinese Academy of Sciences

2D 3D TSV

20570524

Crystallographic and docking studies of purine nucleoside phosphorylase from Mycobacterium tuberculosis.

Bioorg Med Chem 18: 4769-74 (2011)

Pontifical Catholic University of Rio Grande do Sul

2D 3D TSV

20570515

Chemoselective regulation of TREK2 channel: activation by sulfonate chalcones and inhibition by sulfonamide chalcones.

Bioorg Med Chem Lett 20: 4237-9 (2010)

Gyeongsang National University

2D 3D TSV

20570511

Discovery of aminopyridines substituted with benzoxazole as orally active c-Met kinase inhibitors.

Bioorg Med Chem Lett 20: 4223-7 (2010)

Korea Research Institute of Chemical Technology

2D 3D TSV

20570509

Interaction of aminoadamantane derivatives with the influenza A virus M2 channel-docking using a pore blocking model.

Bioorg Med Chem Lett 20: 4182-7 (2010)

University of Athens

2D 3D TSV

20570157

Optimization of isochromanone based urotensin II receptor agonists.

Bioorg Med Chem 18: 4844-54 (2011)

University of Gothenburg

2D 3D TSV

20570156

Synthesis and inhibitory activities of novel C-3 substituted azafagomines: a new type of selective inhibitors ofa-L-fucosidases.

Bioorg Med Chem 18: 4648-60 (2011)

University of Seville

2D 3D TSV

20570149

Click chemistry to probe Hsp90: Synthesis and evaluation of a series of triazole-containing novobiocin analogues.

Bioorg Med Chem Lett 20: 3957-60 (2010)

The University of Kansas

2D 3D TSV

20570148

The discovery and initial optimisation of pyrrole-2-carboxamides as inhibitors of p38alpha MAP kinase.

Bioorg Med Chem Lett 20: 3936-40 (2010)

GlaxoSmithKline

2D 3D TSV

20570147

Reducing ion channel activity in a series of 4-heterocyclic arylamide FMS inhibitors.

Bioorg Med Chem Lett 20: 3925-9 (2010)

Johnson & Johnson Pharmaceutical Research & Development

2D 3D TSV

20570146

2-Substituted N-aryl piperazines as novel triple reuptake inhibitors for the treatment of depression.

Bioorg Med Chem Lett 20: 3941-5 (2010)

Roche Palo Alto LLC

2D 3D TSV

20570023

Chemistry around imidazopyrazine and ibuprofen: discovery of novel fatty acid amide hydrolase (FAAH) inhibitors.

Eur J Med Chem 45: 3564-74 (2010)

Universit£ Catholique de Louvain

2D 3D TSV

20569083

5-Nitro-2,6-dioxohexahydro-4-pyrimidinecarboxamides: synthesis, in vitro antimycobacterial activity, cytotoxicity, and isocitrate lyase inhibition studies.

J Enzyme Inhib Med Chem 25: 765-72 (2010)

Birla Institute of Technology

2D 3D TSV

20568782

Novel highly potent and selective nonsteroidal aromatase inhibitors: synthesis, biological evaluation and structure-activity relationships investigation.

J Med Chem 53: 5347-51 (2010)

University of Bologna

2D 3D TSV

20568781

Analogues of (3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide (JDTic). Synthesis and in vitro and in vivo opioid receptor antagonist activity.

J Med Chem 53: 5290-301 (2010)

Research Triangle Institute

2D 3D TSV

20568780

(Bis)urea and (bis)thiourea inhibitors of lysine-specific demethylase 1 as epigenetic modulators.

J Med Chem 53: 5197-212 (2010)

Wayne State University

2D 3D TSV

20568778

Spirotetrahydro beta-carbolines (spiroindolones): a new class of potent and orally efficacious compounds for the treatment of malaria.

J Med Chem 53: 5155-64 (2010)

Novartis Institute for Tropical Diseases

2D 3D TSV

20568732

Structurally designed trans-2-phenylcyclopropylamine derivatives potently inhibit histone demethylase LSD1/KDM1 .

Biochemistry 49: 6494-503 (2010)

RIKEN Systems and Structural Biology Center

2D 3D TSV

20566771

Mycobacterium tuberculosis dihydrofolate reductase is not a target relevant to the antitubercular activity of isoniazid.

Antimicrob Agents Chemother 54: 3776-82 (2010)

Texas A&M University

2D 3D TSV

20566292

5-Lipoxygenase-activating protein inhibitors. Part 3: 3-{3-tert-Butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-5-(5-methyl-pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM643)-A potent FLAP inhibitor suitable for topical administration.

Bioorg Med Chem Lett 20: 4598-601 (2010)

Amira Pharmaceuticals

2D 3D TSV

20566291

Pyrazolopyridazine alpha-2-delta-1 ligands for the treatment of neuropathic pain.

Bioorg Med Chem Lett 20: 4683-8 (2010)

GlaxoSmithKline

2D 3D TSV

20565336

Design, synthesis and biological evaluation of CB1 cannabinoid receptor ligands derived from the 1,5-diarylpyrazole scaffold.

J Enzyme Inhib Med Chem 26: 222-30 (2011)

NanChang University School of Pharmaceutical Science

2D 3D TSV

20565112

Imidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.

J Med Chem 53: 5213-28 (2010)

The Institute of Cancer Research

2D 3D TSV

20565110

Structural basis for the interaction between tankyrase-2 and a potent Wnt-signaling inhibitor.

J Med Chem 53: 5352-5 (2010)

Karolinska Institutet

2D 3D TSV

20565075

Discovery of the dual orexin receptor antagonist [(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone (MK-4305) for the treatment of insomnia.

J Med Chem 53: 5320-32 (2010)

Merck Research Laboratories

2D 3D TSV

20561792

Development of tryptase inhibitors derived from thalidomide.

Bioorg Med Chem 18: 5323-38 (2010)

The University of Tokyo

2D 3D TSV

20561789

Allosteric and ATP-competitive kinase inhibitors of mTOR for cancer treatment.

Bioorg Med Chem Lett 20: 4308-12 (2010)

Sanofi-Aventis

2D 3D TSV

20561788

Studies on the structure-activity relationship of 1,3,3,4-tetra-substituted pyrrolidine embodied CCR5 receptor antagonists. Part 1: Tuning the N-substituents.

Bioorg Med Chem Lett 20: 4012-4 (2010)

Chinese Academy of Sciences

2D 3D TSV

20561787

Design and evaluation of 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines as inhibitors of checkpoint and other kinases.

Bioorg Med Chem Lett 20: 4045-9 (2010)

The Institute of Cancer Research

2D 3D TSV

20561786

Pre-clinical characterization of aryloxypyridine amides as histamine H3 receptor antagonists: identification of candidates for clinical development.

Bioorg Med Chem Lett 20: 4210-4 (2010)

Johnson & Johnson Pharmaceutical Research & Development LLC

2D 3D TSV

20560643

Improving metabolic stability by glycosylation: bifunctional peptide derivatives that are opioid receptor agonists and neurokinin 1 receptor antagonists.

J Med Chem 52: 5164-75 (2010)

University of Arizona

2D 3D TSV

20560595

(3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor.

J Med Chem 53: 5186-96 (2010)

Chemical Diversity Research Institute

2D 3D TSV

20558073

Design, synthesis, and biological evaluation of resveratrol analogues as aromatase and quinone reductase 2 inhibitors for chemoprevention of cancer.

Bioorg Med Chem 18: 5352-66 (2010)

Purdue University

2D 3D TSV

20558072

Design, synthesis and evaluation of 2-amino-4-m-bromoanilino-6-arylmethyl-7H-pyrrolo[2,3-d]pyrimidines as tyrosine kinase inhibitors and antiangiogenic agents.

Bioorg Med Chem 18: 5261-73 (2010)

Duquesne University

2D 3D TSV

20558059

Structure-activity relationships and hepatic safety risks of thiazole agonists of the thrombopoietin receptor.

Bioorg Med Chem Lett 20: 4069-72 (2010)

Pfizer Inc

2D 3D TSV

20557982

Synthesis and evaluation of quinazolinone derivatives as inhibitors of NF-kappaB, AP-1 mediated transcription and eIF-4E mediated translational activation: inhibitors of multi-pathways involve in cancer.

Eur J Med Chem 45: 3558-63 (2010)

B.V. Patel Pharmaceutical Education and Research Development Centre

2D 3D TSV

20557099

Thiadiazole carbamates: potent inhibitors of lysosomal acid lipase and potential Niemann-Pick type C disease therapeutics.

J Med Chem 53: 5281-9 (2010)

Weill Cornell Medical College

2D 3D TSV

20557054

Click chemistry approach to new N-substituted aminocyclitols as potential pharmacological chaperones for Gaucher disease.

J Med Chem 53: 5248-55 (2010)

Universitat de Barcelona

2D 3D TSV

20554448

Synthesis and biodistribution of [11C]A-836339, a new potential radioligand for PET imaging of cannabinoid type 2 receptors (CB2).

Bioorg Med Chem 18: 5202-7 (2010)

Johns Hopkins Medical Institutions

2D 3D TSV

20554206

A novel and one-pot synthesis of new 1-tosyl pyrrol-2-one derivatives and analysis of carbonic anhydrase inhibitory potencies.

Bioorg Med Chem 18: 4468-74 (2010)

Atat£rk University

2D 3D TSV

20554082

Carbonic anhydrase inhibitors. Regioselective synthesis of novel 1-substituted 1,4-dihydro-4-oxo-3-pyridinesulfonamides and their inhibition of the human cytosolic isozymes I and II and transmembrane cancer-associated isozymes IX and XII.

Eur J Med Chem 45: 3656-61 (2010)

Medical University of Gdansk

2D 3D TSV

20553118

Synthesis of 5-amino-1,3,4-thiadiazole-2-sulphonamide derivatives and their inhibition effects on human carbonic anhydrase isozymes.

J Enzyme Inhib Med Chem 26: 231-7 (2011)

Dumlupinar University

2D 3D TSV

20553023

Discovery of potent ligands for estrogen receptor beta by structure-based virtual screening.

J Med Chem 53: 5361-5 (2010)

East China University of Science and Technology

2D 3D TSV

20550212

Fast-forwarding hit to lead: aurora and epidermal growth factor receptor kinase inhibitor lead identification.

J Med Chem 53: 4980-8 (2010)

National Health Research Institutes

2D 3D TSV

20550146

Correlating solution binding and ESI-MS stabilities by incorporating solvation effects in a confined cucurbit[8]uril system.

J Phys Chem B 114: 8606-15 (2010)

University of Cambridge

2D 3D TSV

20550119

Oral oxytocin antagonists.

J Med Chem 53: 6525-38 (2010)

DrugMolDesign

2D 3D TSV

20550118

Isopropylidene substitution increases activity and selectivity of biphenylmethylene 4-pyridine type CYP17 inhibitors.

J Med Chem 53: 5049-53 (2010)

Saarland University

2D 3D TSV

20547817

Stereoselective phosphorylation of cyclopropavir by pUL97 and competitive inhibition by maribavir.

Antimicrob Agents Chemother 54: 3093-8 (2010)

University of Michigan

2D 3D TSV

20547808

Extended-spectrum cephalosporinase in Acinetobacter baumannii.

Antimicrob Agents Chemother 54: 3484-8 (2010)

Paris-Sud University

2D 3D TSV

20547794

Structure-activity analysis of vinylogous urea inhibitors of human immunodeficiency virus-encoded ribonuclease H.

Antimicrob Agents Chemother 54: 3913-21 (2010)

National Cancer Institute-Frederick

2D 3D TSV

20547453

Design and synthesis of trivalent ligands targeting opioid, cholecystokinin, and melanocortin receptors for the treatment of pain.

Bioorg Med Chem Lett 20: 4080-4 (2010)

University of Arizona

2D 3D TSV

Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors.

20547452

Bioorg Med Chem Lett 20: 4065-8 (2010)

Merck Research Laboratories

2D 3D TSV

20547432

QSAR studies of bioactivities of 1-(azacyclyl)-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines as 5-HT6 receptor ligands using physicochemical descriptors and MLR and ANN-modeling.

Eur J Med Chem 45: 3911-5 (2010)

Islamic Azad University

2D 3D TSV

20545486

Synthesis, stability, biochemical and pharmacokinetic properties of a new potent and selective 4-oxo-�-lactam inhibitor of human leukocyte elastase.

J Enzyme Inhib Med Chem 26: 169-75 (2011)

University of Lisbon

2D 3D TSV

20545360

Novel tacrine-8-hydroxyquinoline hybrids as multifunctional agents for the treatment of Alzheimer's disease, with neuroprotective, cholinergic, antioxidant, and copper-complexing properties.

J Med Chem 53: 4927-37 (2010)

Instituto de Quimica Medica

2D 3D TSV

20545322

Site-specific orthogonal labeling of the carboxy terminus of alpha-tubulin.

ACS Chem Biol 5: 777-85 (2010)

Binghamton University

2D 3D TSV

20542703

Discovery of potent and orally active tricyclic-based FBPase inhibitors.

Bioorg Med Chem 18: 5346-51 (2010)

Daiichi Sankyo Co., Ltd

2D 3D TSV

20542694

Benzofuran-substituted urea derivatives as novel P2Y(1) receptor antagonists.

Bioorg Med Chem Lett 20: 4104-7 (2010)

GlaxoSmithKline

2D 3D TSV

20542439

Synthesis and characterization of selective dopamine D2 receptor antagonists. 2. Azaindole, benzofuran, and benzothiophene analogs of L-741,626.

Bioorg Med Chem 18: 5291-300 (2010)

Washington University

2D 3D TSV

115

20542438

Discovery of orally available spirodiketopiperazine-based CCR5 antagonists.

Bioorg Med Chem 18: 5208-23 (2010)

Minase Research Institute

2D 3D TSV

20542427

Synthesis and biological activity of glycosyl-1H-1,2,3-triazoles.

Bioorg Med Chem Lett 20: 4263-5 (2010)

Academy of Sciences of the Czech Republic

2D 3D TSV

20541944

New 2-arylnaphthalenediols and triol inhibitors of HIV-1 integrase--discovery of a new polyhydroxylated antiviral agent.

Bioorg Med Chem 18: 5194-201 (2010)

Universit£ des Sciences et Technologies de Lille

2D 3D TSV

20541935

4-Substituted-7-N-alkyl-N-acetyl 2-aminobenzothiazole amides: drug-like and non-xanthine based A2B adenosine receptor antagonists.

Bioorg Med Chem Lett 20: 4140-6 (2010)

Roche Research Center

2D 3D TSV

131

20541849

Synthesis and evaluation of vinyl sulfones as caspase-3 inhibitors. A structure-activity study.

Eur J Med Chem 45: 3858-63 (2010)

University of Lisbon

2D 3D TSV

20541426

Synthesis and structure-activity relationships of N-aryl-piperidine derivatives as potent (partial) agonists for human histamine H3 receptor.

Bioorg Med Chem 18: 5441-8 (2010)

Meiji Seika Kaisha, Ltd

2D 3D TSV

20541425

Synthesis and biological study of 3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidines as potent and selective serotonin 5-HT6 receptor antagonists.

Bioorg Med Chem 18: 5282-90 (2010)

Chemical Diversity Research Institute

2D 3D TSV

191

20541424

Improved P2 phenylglycine-based hepatitis C virus NS3 protease inhibitors with alkenylic prime-side substituents.

Bioorg Med Chem 18: 5413-24 (2010)

Uppsala University

2D 3D TSV

20541404

Diazinones as P2 replacements for pyrazole-based cathepsin S inhibitors.

Bioorg Med Chem Lett 20: 4060-4 (2010)

Johnson & Johnson Pharmaceutical Research & Development

2D 3D TSV

20540535

Triterpene saponins from Clematis chinensis and their potential anti-inflammatory activity.

J Nat Prod 73: 1234-9 (2010)

Peking University Health Science Center

2D 3D TSV

20540517

Complementarity between a docking and a high-throughput screen in discovering new cruzain inhibitors.

J Med Chem 53: 4891-905 (2010)

University of California San Francisco

2D 3D TSV

20538469

1H-1,2,3-triazol-1-yl thiodigalactoside derivatives as high affinity galectin-3 inhibitors.

Bioorg Med Chem 18: 5367-78 (2010)

The Hashemite University

2D 3D TSV

133

20538467

Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening.

Bioorg Med Chem 18: 5449-56 (2010)

Purdue University

2D 3D TSV

20538457

Synthesis and molecular docking studies of novel 2-chloro-pyridine derivatives containing flavone moieties as potential antitumor agents.

Bioorg Med Chem Lett 20: 4163-7 (2010)

Nanjing University

2D 3D TSV

20538456

Discovery of piperidin-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-benzyl derivatives with broad potency against resistant mutant viruses.

Bioorg Med Chem Lett 20: 4215-8 (2010)

Roche Palo Alto LLC

2D 3D TSV

20537765

Synthesis, antiproliferative activity and inhibition of tubulin polymerization by 1,5- and 1,8-disubstituted 10H-anthracen-9-ones bearing a 10-benzylidene or 10-(2-oxo-2-phenylethylidene) moiety.

Eur J Med Chem 45: 3420-38 (2010)

Westphalian Wilhelms-University

2D 3D TSV

20537545

Bacterial transferase MraY inhibitors: synthesis and biological evaluation.

Bioorg Med Chem 18: 4560-9 (2010)

University of Paris

2D 3D TSV

20537544

Discovery of tetrahydro-beta-carbolines as inhibitors of the mitotic kinesin KSP.

Bioorg Med Chem 18: 4167-77 (2010)

China Pharmaceutical University

2D 3D TSV

20537533

Design and synthesis of disubstituted (4-piperidinyl)-piperazine derivatives as potent acetyl-CoA carboxylase inhibitors.

Bioorg Med Chem Lett 20: 3965-8 (2010)

Taisho Pharmaceutical Co., Ltd

2D 3D TSV

20537438

Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods.

Eur J Med Chem 45: 3459-71 (2010)

East China University of Science and Technology

2D 3D TSV

101

20536182

Discovery and optimization of boronic acid based inhibitors of autotaxin.

J Med Chem 53: 4958-67 (2010)

Institute

2D 3D TSV

20533380

The action of herbicides on fatty acid biosynthesis and elongation in barley and cucumber.

Pest Manag Sci 66: 794-800 (2010)

Cardiff University

2D 3D TSV

20529687

Synthesis and in vivo evaluation of [11C]MPTQ: a potential PET tracer for alpha2A-adrenergic receptors.

Bioorg Med Chem Lett 20: 3654-7 (2010)

Columbia University

2D 3D TSV

20529685

MMP-13 selective isonipecotamide alpha-sulfone hydroxamates.

Bioorg Med Chem Lett 20: 3561-4 (2010)

Pfizer Inc

2D 3D TSV

20529684

Orally bioavailable dual MMP-1/MMP-14 sparing, MMP-13 selective alpha-sulfone hydroxamates.

Bioorg Med Chem Lett 20: 3557-60 (2010)

Pfizer Inc

2D 3D TSV

112

20529683

Discovery of a novel sulfonamide-pyrazolopiperidine series as potent and efficacious gamma-secretase inhibitors (Part II).

Bioorg Med Chem Lett 20: 3502-6 (2010)

Elan Pharmaceuticals

2D 3D TSV

20529682

Antitrypanosomal alkaloids from Polyalthia suaveolens (Annonaceae): their effects on three selected glycolytic enzymes of Trypanosoma brucei.

Bioorg Med Chem Lett 20: 3495-8 (2010)

University of Yaound£ I

2D 3D TSV

20527970

6-(3,4-dichlorophenyl)-1-[(methyloxy)methyl]-3-azabicyclo[4.1.0]heptane: a new potent and selective triple reuptake inhibitor.

J Med Chem 53: 4989-5001 (2010)

GlaxoSmithKline

2D 3D TSV

20527969

Design, synthesis, and structure-activity relationship studies of novel 2,4,6-trisubstituted-5-pyrimidinecarboxylic acids as peroxisome proliferator-activated receptor gamma (PPARgamma) partial agonists with comparable antidiabetic efficacy to rosiglitazone.

J Med Chem 53: 5012-24 (2010)

Kyorin Pharmaceutical Co., Ltd

2D 3D TSV

20527952

Computer-aided identification of Trypanosoma brucei uridine diphosphate galactose 4'-epimerase inhibitors: toward the development of novel therapies for African sleeping sickness.

J Med Chem 53: 5025-32 (2010)

University of California San Diego

2D 3D TSV

20527893

Selective hexapeptide agonists and antagonists for human complement C3a receptor.

J Med Chem 53: 4938-48 (2010)

The University of Queensland

2D 3D TSV

120

20527892

Novel approaches for targeting thymidylate synthase to overcome the resistance and toxicity of anticancer drugs.

J Med Chem 53: 6539-49 (2010)

Institute of Theoretical Studies gGmbH

2D 3D TSV

20527891

Selective synthesis and biological evaluation of sulfate-conjugated resveratrol metabolites.

J Med Chem 53: 5033-43 (2010)

Purdue University

2D 3D TSV

20527888

Mercaptophosphonate compounds as broad-spectrum inhibitors of the metallo-beta-lactamases.

J Med Chem 53: 4862-76 (2010)

University of Li£ge

2D 3D TSV

20521884

Glutathione transferase from Plasmodium falciparum--interaction with malagashanine and selected plant natural products.

J Enzyme Inhib Med Chem 25: 854-62 (2010)

University of Zimbabwe

2D 3D TSV

20521839

Kinesin spindle protein (KSP) inhibitors with 2,3-fused indole scaffolds.

J Med Chem 53: 5054-8 (2010)

Kyoto University

2D 3D TSV

20518620

Synthesis of new 8(S)-HETE analogs and their biological evaluation as activators of the PPAR nuclear receptors.

J Enzyme Inhib Med Chem 25: 653-72 (2010)

Universit� de Rennes 1

2D 3D TSV

20518551

One-pot synthesis of 4,6-diaryl-2-oxo(imino)-1,2-dihydropyridine-3-carbonitrile; a New Scaffold for p38alpha MAP kinase inhibition.

J Comb Chem 12: 559-65 (2010)

German University in Cairo

2D 3D TSV

20516287

In vitro antituberculosis activities of ACH-702, a novel isothiazoloquinolone, against quinolone-susceptible and quinolone-resistant isolates.

Antimicrob Agents Chemother 54: 3478-80 (2010)

Achillion Pharmaceuticals Inc

2D 3D TSV

20516278

PSI-7851, a pronucleotide of beta-D-2'-deoxy-2'-fluoro-2'-C-methyluridine monophosphate, is a potent and pan-genotype inhibitor of hepatitis C virus replication.

Antimicrob Agents Chemother 54: 3187-96 (2010)

Pharmasset Inc

2D 3D TSV

20516071

Identification and characterization of novel classes of macrophage migration inhibitory factor (MIF) inhibitors with distinct mechanisms of action.

J Biol Chem 285: 26581-98 (2010)

Ecole Polytechnique Fédérale de Lausanne

2D 3D TSV

20513156

Discovery of 3-[2-(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide (AP24534), a potent, orally active pan-inhibitor of breakpoint cluster region-abelson (BCR-ABL) kinase including the T315I gatekeeper mutant.

J Med Chem 53: 4701-19 (2010)

ARIAD Pharmaceuticals Inc

2D 3D TSV

20510622

Aromatic beta-amino-ketone derivatives as novel selective non-steroidal progesterone receptor antagonists.

Bioorg Med Chem 18: 4255-68 (2010)

Chinese Academy of Sciences

2D 3D TSV

142

20510621

A statistical analysis of in vitro human microsomal metabolic stability of small phenyl group substituents, leading to improved design sets for parallel SAR exploration of a chemical series.

Bioorg Med Chem 18: 4405-14 (2010)

AstraZeneca PLC

2D 3D TSV

20510609

Synthesis and evaluation of a new series of Neuropeptide S receptor antagonists.

Bioorg Med Chem Lett 20: 4700-3 (2010)

Merck Research Laboratories

2D 3D TSV

20509659

Synthesis and characterization of in vitro and in vivo profiles of hydroxybupropion analogues: aids to smoking cessation.

J Med Chem 53: 4731-48 (2010)

Barrow Neurological Institute

2D 3D TSV

182

20504026

Molecular switch controlling the binding of anionic bile acid conjugates to human apical sodium-dependent bile acid transporter.

J Med Chem 53: 4749-60 (2010)

University of Maryland

2D 3D TSV

20503989

Design, synthesis, and biological evaluation of a novel class of gamma-secretase modulators with PPARgamma activity.

J Med Chem 53: 4691-700 (2010)

ZAFES/LiFF/Goethe University Frankfurt

2D 3D TSV

20503979

Xestosaprols from the Indonesian marine sponge Xestospongia sp.

J Nat Prod 73: 1188-91 (2010)

University of Hawaii at Manoa

2D 3D TSV

20503967

Factor Xa inhibitors: next-generation antithrombotic agents.

J Med Chem 53: 6243-74 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

138

20498372

Identification of a chemoreceptor for tricarboxylic acid cycle intermediates: differential chemotactic response towards receptor ligands.

J Biol Chem 285: 23126-36 (2010)

CSIC

2D 3D TSV

20494587

Identification of novel quinazolin-4(3H)-ones as inhibitors of thermolysin, the prototype of the M4 family of proteinases.

Bioorg Med Chem 18: 4317-27 (2010)

University of Troms£

2D 3D TSV

20494585

Peptide fragmentation as an approach in modeling of an active peptide and designing a competitive inhibitory peptide for HMG-CoA reductase.

Bioorg Med Chem 18: 4300-9 (2010)

Institute of the Chemistry of Plant Substances

2D 3D TSV

20494575

Quinlobelane: a water-soluble lobelane analogue and inhibitor of VMAT2.

Bioorg Med Chem Lett 20: 3584-7 (2010)

University of Kentucky

2D 3D TSV

20493718

Synthesis and characterization of N,N-dialkyl and N-alkyl-N-aralkyl fenpropimorph-derived compounds as high affinity ligands for sigma receptors.

Bioorg Med Chem 18: 4397-404 (2010)

University of Wisconsin School of Medicine and Public Health

2D 3D TSV

20493713

Selective angiotensin II AT(2) receptor agonists with reduced CYP 450 inhibition.

Bioorg Med Chem 18: 4570-90 (2010)

Uppsala University

2D 3D TSV

20493697

Non-basic ligands for aminergic GPCRs: the discovery and development diaryl sulfones as selective, orally bioavailable 5-HT2A receptor antagonists for the treatment of sleep disorders.

Bioorg Med Chem Lett 20: 3708-12 (2010)

Merck Sharp & Dohme

2D 3D TSV

20493695

Design of 1-piperazinyl-4-arylphthalazines as potent Smoothened antagonists.

Bioorg Med Chem Lett 20: 3618-22 (2010)

Amgen Inc

2D 3D TSV

20493693

Prenylcoumarin with Rev-export inhibitory activity from Cnidii Monnieris Fructus.

Bioorg Med Chem Lett 20: 3717-20 (2010)

Osaka University

2D 3D TSV

20493692

In silico characterization of cytisinoids docked into an acetylcholine binding protein.

Bioorg Med Chem Lett 20: 3683-7 (2010)

Instituto de Investigaciones Biol£gicas Clemente Estable

2D 3D TSV

20493691

Discovery of a series of indan carboxylic acid glycogen phosphorylase inhibitors.

Bioorg Med Chem Lett 20: 3511-4 (2010)

AstraZeneca

2D 3D TSV

20493688

Synthesis and biological activity of oxadiazole and triazolothiadiazole derivatives as tyrosinase inhibitors.

Bioorg Med Chem Lett 20: 3755-9 (2010)

University Putra Malaysia

2D 3D TSV

20493686

New estrogenic compounds isolated from Broussonetia kazinoki.

Bioorg Med Chem Lett 20: 3764-7 (2010)

Sookmyung Women's University

2D 3D TSV

20493592

Validated QSAR analysis of some diaryl substituted pyrazoles as CCR2 inhibitors by various linear and nonlinear multivariate chemometrics methods.

Eur J Med Chem 45: 3394-406 (2010)

Tehran University of Medical Sciences

2D 3D TSV

20491506

Triazole-linked inhibitors of inosine monophosphate dehydrogenase from human and Mycobacterium tuberculosis.

J Med Chem 53: 4768-78 (2010)

University of Minnesota

2D 3D TSV

20491477

Selective GlyT1 inhibitors: discovery of [4-(3-fluoro-5-trifluoromethylpyridin-2-yl)piperazin-1-yl][5-methanesulfonyl-2-((S)-2,2,2-trifluoro-1-methylethoxy)phenyl]methanone (RG1678), a promising novel medicine to treat schizophrenia.

J Med Chem 53: 4603-14 (2010)

F. Hoffmann-La Roche Inc

2D 3D TSV

20491440

Synthesis and biological characterization of the histone deacetylase inhibitor largazole and C7- modified analogues.

J Med Chem 53: 4654-67 (2010)

Universidade de Vigo

2D 3D TSV

20488718

Synthesis and cytotoxicity of novel indirubin-5-carboxamides.

Bioorg Med Chem 18: 4509-15 (2010)

University of Kaiserslautern

2D 3D TSV

20488717

IKKbeta inhibitors identification part II: ligand and structure-based virtual screening.

Bioorg Med Chem 18: 3951-60 (2010)

Institute of Science and Technology

2D 3D TSV

20488704

Synthesis and biological evaluation of bicyclo[3.3.0] octane derivatives as dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes.

Bioorg Med Chem Lett 20: 3521-5 (2010)

Shanghai Hengrui Pharmaceuticals Co., Ltd

2D 3D TSV

20488702

Synthesis and biological evaluation of azobicyclo[3.3.0] octane derivatives as dipeptidyl peptidase 4 inhibitors for the treatment of type 2 diabetes.

Bioorg Med Chem Lett 20: 3565-8 (2010)

Shanghai Hengrui Pharmaceuticals Co., Ltd

2D 3D TSV

20488589

CoMFA and CoMSIA 3D-QSAR studies on quionolone caroxylic acid derivatives inhibitors of HIV-1 integrase.

Eur J Med Chem 45: 3413-9 (2010)

Lanzhou University

2D 3D TSV

20486938

Carbonic anhydrase inhibitors: Inhibition of human erythrocyte isozymes I and II with a series of phenolic acids.

Chem Biol Drug Des 75: 515-20 (2010)

Ataturk University

2D 3D TSV

20486930

The use of biochemical and biophysical tools for triage of high-throughput screening hits - A case study with Escherichia coli phosphopantetheine adenylyltransferase.

Chem Biol Drug Des 75: 444-54 (2010)

Pfizer Inc

2D 3D TSV

20483621

Synthesis and structure-activity relationships of 1,2,3,4-tetrahydropyrido[2,3-b]pyrazines as potent and selective inhibitors of the anaplastic lymphoma kinase.

Bioorg Med Chem 18: 4351-62 (2010)

Cephalon Inc

2D 3D TSV

20483614

5-arylamino-1,2,4-triazin-6(1H)-one CRF1 receptor antagonists.

Bioorg Med Chem Lett 20: 3579-83 (2010)

Bristol-Myers Squibb Research and Development

2D 3D TSV

20483612

Hit-to-lead optimization of disubstituted oxadiazoles and tetrazoles as mGluR5 NAMs.

Bioorg Med Chem Lett 20: 3737-41 (2010)

Gedeon Richter Plc

2D 3D TSV

20483611

2' biaryl amides as novel and subtype selective M1 agonists. Part I: Identification, synthesis, and initial SAR.

Bioorg Med Chem Lett 20: 3540-4 (2010)

GlaxoSmithKline

2D 3D TSV

20483608

New pyrazolo[1,5a]pyrimidines as orally active inhibitors of Lck.

Bioorg Med Chem Lett 20: 3628-31 (2010)

Novartis Institute of Biomedical Research

2D 3D TSV

139

20483606

Dihydro-pyrano[2,3-b]pyridines and tetrahydro-1,8-naphthyridines as CB1 receptor inverse agonists: synthesis, SAR and biological evaluation.

Bioorg Med Chem Lett 20: 3750-4 (2010)

Merck Research Laboratories

2D 3D TSV

20483605

Discovery of a novel series of CXCR3 antagonists.

Bioorg Med Chem Lett 20: 3614-7 (2010)

Merck Serono

2D 3D TSV

20483603

(2S,4S)-1-[2-(1,1-dimethyl-3-oxo-3-pyrrolidin-1-yl-propylamino)acetyl]-4-fluoro-pyrrolidine-2-carbonitrile: a potent, selective, and orally bioavailable dipeptide-derived inhibitor of dipeptidyl peptidase IV.

Bioorg Med Chem Lett 20: 3596-600 (2010)

National Health Research Institutes

2D 3D TSV

106

20483602

5-ureidobenzofuranone indoles as potent and efficacious inhibitors of PI3 kinase-alpha and mTOR for the treatment of breast cancer.

Bioorg Med Chem Lett 20: 3526-9 (2010)

Wyeth Research

2D 3D TSV

20483601

Investigation of Beckett-Casy model 2: synthesis of novel 15-16 nornaltrexone derivatives and their pharmacology.

Bioorg Med Chem Lett 20: 3726-9 (2010)

Kitasato University

2D 3D TSV

20483599

2' biaryl amides as novel and subtype selective M1 agonists. Part II: Further optimization and profiling.

Bioorg Med Chem Lett 20: 3545-9 (2010)

GlaxoSmithKline

2D 3D TSV

20481631

Unexpected reaction of 2-alkylsulfanylimidazoles to imidazol-2-ones: pyridinylimidazol-2-ones as novel potent p38alpha mitogen-activated protein kinase inhibitors.

J Med Chem 53: 4798-802 (2010)

Eberhard Karls University of Tubingen

2D 3D TSV

20481595

Design of selective, ATP-competitive inhibitors of Akt.

J Med Chem 53: 4615-22 (2010)

Pfizer Inc

2D 3D TSV

20481570

Discovery of bishomo(hetero)arylpiperazines as novel multifunctional ligands targeting dopamine D(3) and serotonin 5-HT(1A) and 5-HT(2A) receptors.

J Med Chem 53: 4803-7 (2010)

Universita di Siena

2D 3D TSV

20481544

Rearranged diterpenoids from the biotransformation of ent-trachyloban-18-oic acid by Rhizopus arrhizus.

J Nat Prod 73: 1121-5 (2010)

Centre de Recherche de Gif

2D 3D TSV

20481538

Identification and functional characterization of a stable, centrally active derivative of the neurotensin (8-13) fragment as a potential first-in-class analgesic.

J Med Chem 53: 4623-32 (2010)

Medical University of South Carolina Campus

2D 3D TSV

20481492

Structure-activity relationships in human toll-like receptor 7-active imidazoquinoline analogues.

J Med Chem 53: 4450-65 (2010)

University of Kansas

2D 3D TSV

20481485

Inhibition of protein kinase C-driven nuclear factor-kappaB activation: synthesis, structure-activity relationship, and pharmacological profiling of pathway specific benzimidazole probe molecules.

J Med Chem 53: 4793-7 (2010)

Sanford-Burnham Medical Research Institute

2D 3D TSV

20481438

Design and synthesis of alpha-ketoamides as cathepsin S inhibitors with potential applications against tumor invasion and angiogenesis.

J Med Chem 53: 4545-9 (2010)

National Tsing Hua University

2D 3D TSV

20478711

Identification of the three-dimensional pharmacophore of kappa-opioid receptor agonists.

Bioorg Med Chem 18: 4446-52 (2010)

Kitasato University

2D 3D TSV

20478710

Novel tricyclic Delta(2)-isoxazoline and 3-oxo-2-methyl-isoxazolidine derivatives: synthesis and binding affinity at neuronal nicotinic acetylcholine receptor subtypes.

Bioorg Med Chem 18: 4498-508 (2010)

Universit£ degli Studi di Milano

2D 3D TSV

20478708

New hydroxypyrimidinone-containing sulfonamides as carbonic anhydrase inhibitors also acting as MMP inhibitors.

Bioorg Med Chem Lett 20: 3623-7 (2010)

LNEG

2D 3D TSV

20476840

Tyrosinase inhibitory effect of benzoic acid derivatives and their structure-activity relationships.

J Enzyme Inhib Med Chem 25: 812-7 (2010)

Yonsei University

2D 3D TSV

20476787

Sialic acid-mimic peptides as hemagglutinin inhibitors for anti-influenza therapy.

J Med Chem 53: 4441-9 (2010)

Keio University

2D 3D TSV

20476738

Synthesis and evaluation of new endomorphin-2 analogues containing (Z)-alpha,beta-didehydrophenylalanine (Delta(Z)Phe) residues.

J Med Chem 53: 4550-4 (2010)

Universit£ di Roma

2D 3D TSV

20472448

Design, synthesis, and pharmacological evaluation of N-(4-mono and 4,5-disubstituted thiazol-2-yl)-2-aryl-3-(tetrahydro-2H-pyran-4-yl)propanamides as glucokinase activators.

Bioorg Med Chem 18: 3875-84 (2010)

Chinese Academy of Sciences

2D 3D TSV

20472447

Synthesis and biological evaluation of novel (4 or 5-aryl)pyrazolyl-indoles as inhibitors of interleukin-2 inducible T-cell kinase (ITK).

Bioorg Med Chem 18: 4547-59 (2010)

Nycomed Pharma Pvt. Ltd

2D 3D TSV

20472445

Synthesis and biological evaluation of 4(5)-(6-methylpyridin-2-yl)imidazoles and -pyrazoles as transforming growth factor-beta type 1 receptor kinase inhibitors.

Bioorg Med Chem 18: 4459-67 (2010)

Ewha Womans University

2D 3D TSV

20472442

On the inhibition of histone deacetylase 8.

Bioorg Med Chem 18: 4103-10 (2010)

University of Notre Dame

2D 3D TSV

20472440

Design and synthesis of new potent anticancer pyrazoles with high FLT3 kinase inhibitory selectivity.

Bioorg Med Chem 18: 3961-73 (2010)

Institute of Science and Technology

2D 3D TSV

20472439

Dammaranes from Gynostemma pentaphyllum and synthesis of their derivatives as inhibitors of protein tyrosine phosphatase 1B.

Bioorg Med Chem 18: 3934-9 (2010)

Chinese Academy of Sciences

2D 3D TSV

20472438

The scope of thallium nitrate oxidative cyclization of chalcones; synthesis and evaluation of isoflavone and aurone analogs for their inhibitory activity against interleukin-5.

Bioorg Med Chem 18: 4441-5 (2010)

Chungnam National University

2D 3D TSV

20472433

New aminopropandiol derivatives as orally available and short-acting calcium-sensing receptor antagonists.

Bioorg Med Chem Lett 20: 3809-13 (2010)

Central Pharmaceutical Research Institute

2D 3D TSV

20472432

Rapid synthesis of an array of trisubstituted urea-based soluble epoxide hydrolase inhibitors facilitated by a novel solid-phase method.

Bioorg Med Chem Lett 20: 3703-7 (2010)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

20472431

Design, synthesis and evaluation of 2,4-disubstituted pyrimidines as cholinesterase inhibitors.

Bioorg Med Chem Lett 20: 3606-9 (2010)

University of Waterloo

2D 3D TSV

20472430

Syntheses and structure-activity relationship (SAR) studies of 2,5-diazabicyclo[2.2.1]heptanes as novel alpha7 neuronal nicotinic receptor (NNR) ligands.

Bioorg Med Chem Lett 20: 3636-9 (2010)

Abbott Laboratories

2D 3D TSV

114

20472429

Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mammalian isoforms I-XV.

Bioorg Med Chem Lett 20: 3601-5 (2010)

Istituto di Biostrutture e Bioimmagini-CNR

2D 3D TSV

20472428

Mapping the ATP-binding domain of DNA-dependent protein kinase (DNA-PK) with coumarin- and isocoumarin-derived inhibitors.

Bioorg Med Chem Lett 20: 3649-53 (2010)

Newcastle University

2D 3D TSV

20472330

Novel 8-arylated purines as inhibitors of glycogen synthase kinase.

Eur J Med Chem 45: 3389-93 (2010)

Institut Curie

2D 3D TSV

20471843

Synthesis and biological evaluation of a new series of berberine derivatives as dual inhibitors of acetylcholinesterase and butyrylcholinesterase.

Bioorg Med Chem 18: 4475-84 (2010)

Sun Yat-sen University

2D 3D TSV

20471839

Synthesis and anti-inflammatory activity of new arylidene-thiazolidine-2,4-diones as PPARgamma ligands.

Bioorg Med Chem 18: 3805-11 (2010)

Universidade Federal de Pernambuco

2D 3D TSV

20471838

Design and synthesis of 2,4-disubstituted polyhydroquinolines as prospective antihyperglycemic and lipid modulating agents.

Bioorg Med Chem 18: 4138-48 (2010)

Central Drug Research Institute

2D 3D TSV

20471832

Discovery of 6-chloro-2-trifluoromethyl-7-aryl-7H-imidazo[1,2-a]imidazol-3-ylmethylamines, a novel class of corticotropin-releasing factor receptor type 1 (CRF1R) antagonists.

Bioorg Med Chem Lett 20: 3669-74 (2010)

Bristol-Myers Squibb Pharmaceutical Research Institute

2D 3D TSV

20471831

The discovery and SAR of indoline-3-carboxamides--a new series of 5-HT6 antagonists.

Bioorg Med Chem Lett 20: 3713-6 (2010)

Schering-Plough Research Institute

2D 3D TSV

20471829

Discovery of 4-[1-[([1-[4-(trifluoromethyl)benzyl]-1H-indol-7-yl]carbonyl)amino]cyclopropyl]benzoic acid (MF-766), a highly potent and selective EP4 antagonist for treating inflammatory pain.

Bioorg Med Chem Lett 20: 3760-3 (2010)

Merck Frosst Canada Ltd

2D 3D TSV

20471275

A structure-activity relationship study elucidating the mechanism of sequence-specific collagen recognition by the chaperone HSP47.

Bioorg Med Chem 18: 3767-75 (2010)

Waseda University

2D 3D TSV

20471260

Second generation N-(1,2-diphenylethyl)piperazines as dual serotonin and noradrenaline reuptake inhibitors: improving metabolic stability and reducing ion channel activity.

Bioorg Med Chem Lett 20: 3788-92 (2010)

Pfizer Inc

2D 3D TSV

146

20471258

Synthesis and evaluation of azabicyclo[3.2.1]octane derivatives as potent mixed vasopressin antagonists.

Bioorg Med Chem Lett 20: 3742-5 (2010)

Pfizer Inc

2D 3D TSV

117

20471256

Synthesis and biological evaluation of tricyclic anilinopyrimidines as IKKbeta inhibitors.

Bioorg Med Chem Lett 20: 3821-5 (2010)

Pfizer Inc

2D 3D TSV

20471255

Biochemical and biophysical characterization of unique switch pocket inhibitors of p38a.

Bioorg Med Chem Lett 20: 5787-92 (2010)

Abbott Laboratories

2D 3D TSV

20471253

Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: part 3, aryl substituted pyrrolidines.

Bioorg Med Chem Lett 20: 3746-9 (2010)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

20471252

Discovery of highly selective inhibitors of human fatty acid binding protein 4 (FABP4) by virtual screening.

Bioorg Med Chem Lett 20: 3675-9 (2010)

Chinese Academy of Sciences

2D 3D TSV

20469887

An isoaurone and other constituents from Trichosanthes kirilowii seeds inhibit hypoxia-inducible factor-1 and nuclear factor-kappaB.

J Nat Prod 73: 1167-9 (2010)

Korean Research Institute of Biosciences and Biotechnology

2D 3D TSV

20469868

Structure guided design of 5-arylindazole glucocorticoid receptor agonists and antagonists.

J Med Chem 53: 4531-44 (2010)

GlaxoSmithKline

2D 3D TSV

Design and synthesis of novel Gefitinib analogues with improved anti-tumor activity.

20466555

Bioorg Med Chem 18: 3812-22 (2010)

Southeast University

2D 3D TSV

20466553

Synthesis and in vitro toxicity of 4-MTA, its characteristic clandestine synthesis byproducts and related sulfur substituted alpha-alkylthioamphetamines.

Bioorg Med Chem 18: 4009-31 (2010)

Trinity College

2D 3D TSV

20466543

Regiospecific and conformationally restrained analogs of melphalan and DL-2-NAM-7 and their affinities for the large neutral amino acid transporter (system LAT1) of the blood-brain barrier.

Bioorg Med Chem Lett 20: 3688-91 (2010)

University of Kentucky

2D 3D TSV

20466542

1,4-dihydropyrazolo[4,3-d]imidazole phenyl derivatives: a novel type II Raf kinase inhibitors.

Bioorg Med Chem Lett 20: 3805-8 (2010)

Institute of Science and Technology

2D 3D TSV

20466465

Quinolines and structurally related heterocycles as antimalarials.

Eur J Med Chem 45: 3245-64 (2010)

National Institute of Pharmaceutical Education and Research

2D 3D TSV

20465311

Novel alpha-7 nicotinic acetylcholine receptor agonists containing a urea moiety: identification and characterization of the potent, selective, and orally efficacious agonist 1-[6-(4-fluorophenyl)pyridin-3-yl]-3-(4-piperidin-1-ylbutyl) urea (SEN34625/WYE-103914).

J Med Chem 53: 4379-89 (2010)

Siena Biotech SpA

2D 3D TSV

20465278

Discovery of a potent, orally active 11beta-hydroxysteroid dehydrogenase type 1 inhibitor for clinical study: identification of (S)-2-((1S,2S,4R)-bicyclo[2.2.1]heptan-2-ylamino)-5-isopropyl-5-methylthiazol-4(5H)-one (AMG 221).

J Med Chem 53: 4481-7 (2010)

Amgen Inc

2D 3D TSV

20463018

Human cytochrome P450 2E1 structures with fatty acid analogs reveal a previously unobserved binding mode.

J Biol Chem 285: 22282-90 (2010)

The University of Kansas

2D 3D TSV

20462762

Inhibition of Mycobacterium tuberculosis tyrosine phosphatase PtpA by synthetic chalcones: kinetics, molecular modeling, toxicity and effect on growth.

Bioorg Med Chem 18: 3783-9 (2010)

Universidade Federal de Santa Catarina

2D 3D TSV

20462760

Substituted 2H-isoquinolin-1-one as potent Rho-Kinase inhibitors. Part 1: Hit-to-lead account.

Bioorg Med Chem Lett 20: 3235-9 (2010)

Boehringer Ingelheim Pharmaceuticals Inc

2D 3D TSV

20462757

Molecular docking studies of phlorotannins from Eisenia bicyclis with BACE1 inhibitory activity.

Bioorg Med Chem Lett 20: 3211-5 (2010)

Pukyong National University

2D 3D TSV

20462271

Cryptosphaerolide, a cytotoxic Mcl-1 inhibitor from a marine-derived ascomycete related to the genus Cryptosphaeria.

J Nat Prod 73: 998-1001 (2010)

University of California San Diego

2D 3D TSV

20462263

Discovery of N-phenyl-4-(thiazol-5-yl)pyrimidin-2-amine aurora kinase inhibitors.

J Med Chem 53: 4367-78 (2010)

Cyclacel Ltd

2D 3D TSV

127

20462258

Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating metabolic inactivation: an antedrug approach.

J Med Chem 53: 4522-30 (2010)

GlaxoSmithKline

2D 3D TSV

20462217

Rational design of a topical androgen receptor antagonist for the suppression of sebum production with properties suitable for follicular delivery.

J Med Chem 53: 4422-7 (2010)

Pfizer Inc

2D 3D TSV

20462213

Biochemical and structural analysis of the binding determinants of a vascular endothelial growth factor receptor peptidic antagonist.

J Med Chem 53: 4428-40 (2010)

University of Paris

2D 3D TSV

20462211

Discovery of novel selective norepinephrine reuptake inhibitors: 4-[3-aryl-2,2-dioxido-2,1,3-benzothiadiazol-1(3H)-yl]-1-(methylamino)butan-2-ols (WYE-103231).

J Med Chem 53: 4511-21 (2010)

Pfizer Inc

2D 3D TSV

20459125

Analysis of kinase inhibitor selectivity using a thermodynamics-based partition index.

J Med Chem 53: 4502-10 (2010)

Amgen Inc

2D 3D TSV

20457823

Lipophilic bisphosphonates are potent inhibitors of Plasmodium liver-stage growth.

Antimicrob Agents Chemother 54: 2987-93 (2010)

National Institute of Immunology

2D 3D TSV

20457528

2,5-Dideoxy-2,5-imino-d-altritol as a new class of pharmacological chaperone for Fabry disease.

Bioorg Med Chem 18: 3790-4 (2010)

University of Toyama

2D 3D TSV

20457527

Synthesis and structure-activity relationships of 2-acylamino-4,6-diphenylpyridine derivatives as novel antagonists of GPR54.

Bioorg Med Chem 18: 3841-59 (2010)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

20457525

In vitro studies on a class of quinoline containing histamine H3 antagonists.

Bioorg Med Chem Lett 20: 3295-300 (2010)

Abbott Laboratories

2D 3D TSV

225

20457522

Discovery of a new potent bisamide FMS kinase inhibitor.

Bioorg Med Chem Lett 20: 3216-8 (2010)

Institute of Science and Technology

2D 3D TSV

20457519

3-Indolyl sultams as selective CRTh2 antagonists.

Bioorg Med Chem Lett 20: 3287-90 (2010)

Athersys Inc

2D 3D TSV

20457518

Discovery of TRPV1 antagonist ABT-116.

Bioorg Med Chem Lett 20: 3291-4 (2010)

Abbott Laboratories

2D 3D TSV

20457517

Synthesis, SAR and evaluation of [1,4']-bipiperidinyl-4-yl-imidazolidin-2-one derivatives as novel CCR5 antagonists.

Bioorg Med Chem Lett 20: 3219-22 (2010)

Roche Palo Alto LLC

2D 3D TSV

20456959

Structure-activity relationships of carbocyclic 6-benzylthioinosine analogues as subversive substrates of Toxoplasma gondii adenosine kinase.

Bioorg Med Chem 18: 3403-12 (2010)

University of Georgia

2D 3D TSV

20456957

Serotonin derivatives as a new class of non-ATP-competitive receptor tyrosine kinase inhibitors.

Bioorg Med Chem 18: 3387-402 (2010)

Universit£t Leipzig

2D 3D TSV

20455574

Site-activated chelators targeting acetylcholinesterase and monoamine oxidase for Alzheimer's therapy.

ACS Chem Biol 5: 603-10 (2010)

The Weizmann Institute of Science

2D 3D TSV

20455563

Discovery and structure-activity relationship of 3-methoxy-N-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-morpholinoethoxy)phenyl)benzamide (APD791): a highly selective 5-hydroxytryptamine2A receptor inverse agonist for the treatment of arterial thrombosis.

J Med Chem 53: 4412-21 (2010)

Arena Pharmaceuticals

2D 3D TSV

20452776

Synthesis and characterization of potent inhibitors of Trypanosoma cruzi dihydrofolate reductase.

Bioorg Med Chem 18: 4056-66 (2010)

University of Alabama

2D 3D TSV

20452769

Synthesis of 4-[(diethylamino)methyl]-phenol derivatives as novel cholinesterase inhibitors with selectivity towards butyrylcholinesterase.

Bioorg Med Chem Lett 20: 3254-8 (2010)

Sun Yat-sen University

2D 3D TSV

20452768

Synthesis of neurotensin(8-13)-phosphopeptide heterodimers via click chemistry.

Bioorg Med Chem Lett 20: 3306-9 (2010)

Institute of Radiopharmacy

2D 3D TSV

20452767

Modulation of 11beta-hydroxysteroid dehydrogenase type 1 activity by 1,5-substituted 1H-tetrazoles.

Bioorg Med Chem Lett 20: 3265-71 (2010)

University of Edinburgh

2D 3D TSV

20452766

Studies on two types of PTP1B inhibitors for the treatment of type 2 diabetes: Hologram QSAR for OBA and BBB analogues.

Bioorg Med Chem Lett 20: 3329-37 (2010)

Tsinghua University

2D 3D TSV

20452228

Identification of new non-carboxylic acid containing inhibitors of aldose reductase.

Bioorg Med Chem 18: 4049-55 (2010)

University of Messina

2D 3D TSV

20452227

Analogs of zanamivir with modified C4-substituents as the inhibitors against the group-1 neuraminidases of influenza viruses.

Bioorg Med Chem 18: 4074-84 (2010)

National Taiwan University

2D 3D TSV

20452226

New orally bioavailable 2-aminobenzamide-type histone deacetylase inhibitor possessing a (2-hydroxyethyl)(4-(thiophen-2-yl)benzyl)amino group.

Bioorg Med Chem 18: 3925-33 (2010)

Kansai University

2D 3D TSV

20452225

Vitamin D receptor agonist/histone deacetylase inhibitor molecular hybrids.

Bioorg Med Chem 18: 4119-37 (2010)

McGill University

2D 3D TSV

20452224

New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides to the dicopper active site.

Bioorg Med Chem 18: 4042-8 (2010)

King Saud University

2D 3D TSV

20452222

Structural determinants for the inhibitory ligands of orotidine-5'-monophosphate decarboxylase.

Bioorg Med Chem 18: 4032-41 (2010)

University Health Network

2D 3D TSV

20452213

Agonist/antagonist modulation in a series of 2-aryl benzimidazole H4 receptor ligands.

Bioorg Med Chem Lett 20: 3367-71 (2010)

Johnson & Johnson Pharmaceutical Research & Development

2D 3D TSV

20452212

Glycine amides as PPARalpha agonists.

Bioorg Med Chem Lett 20: 3376-9 (2010)

Bayer-Schering Pharma

2D 3D TSV

20452209

Discovery of pyrazolyl propionyl cyclohexenamide derivatives as full agonists for the high affinity niacin receptor GPR109A.

Bioorg Med Chem Lett 20: 3372-5 (2010)

Merck Research Laboratories

2D 3D TSV

20451397

Synthesis and biological activity of N-aroyl-tetrahydro-gamma-carbolines.

Bioorg Med Chem 18: 3910-24 (2010)

Universit£ Lille Nord de France

2D 3D TSV

20451396

Synthesis and NMDA receptor affinity of fluorinated dioxadrol analogues.

Bioorg Med Chem 18: 4095-102 (2010)

Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhems-Universit£t M£nster

2D 3D TSV

20451394

Dual Src and Abl inhibitors target wild type Abl and the AblT315I Imatinib-resistant mutant with different mechanisms.

Bioorg Med Chem 18: 3999-4008 (2010)

Institute of Molecular Genetics IGM-CNR

2D 3D TSV

20451378

Acylurea connected straight chain hydroxamates as novel histone deacetylase inhibitors: Synthesis, SAR, and in vivo antitumor activity.

Bioorg Med Chem Lett 20: 3314-21 (2010)

S*BIO Pte Ltd

2D 3D TSV

107

20450197

Discovery of imidazo[1,5-a]pyrido[3,2-e]pyrazines as a new class of phosphodiesterase 10A inhibitiors.

J Med Chem 53: 4399-411 (2010)

Biotie Therapies GmbH

2D 3D TSV

20446735

Pyrimidine ribonucleotides with enhanced selectivity as P2Y(6) receptor agonists: novel 4-alkyloxyimino, (S)-methanocarba, and 5'-triphosphate gamma-ester modifications.

J Med Chem 53: 4488-501 (2010)

National Institute of Diabetes and Digestive and Kidney Diseases

2D 3D TSV

20446681

2-imino-thiazolidin-4-one derivatives as potent, orally active S1P1 receptor agonists.

J Med Chem 53: 4198-211 (2010)

Actelion Pharmaceuticals Ltd

2D 3D TSV

158

20444610

Design, synthesis and pharmacological evaluation of novel naphthalenic derivatives as selective MT(1) melatoninergic ligands.

Bioorg Med Chem 18: 3426-36 (2010)

University of Lille

2D 3D TSV

20444603

Flexible ligand recognition of peroxisome proliferator-activated receptor-gamma (PPARgamma).

Bioorg Med Chem Lett 20: 3344-7 (2010)

Rikkyo University

2D 3D TSV

20444602

Anthranilic acid replacements in a niacin receptor agonist.

Bioorg Med Chem Lett 20: 3426-30 (2010)

Merck & Co.

2D 3D TSV

20444281

Novel protein kinase D inhibitors cause potent arrest in prostate cancer cell growth and motility.

BMC Chem Biol 10: 5 (2010)

University of Pittsburgh

2D 3D TSV

20443629

The synthesis and biological evaluation of quinolyl-piperazinyl piperidines as potent serotonin 5-HT1A antagonists.

J Med Chem 53: 4066-84 (2010)

Pfizer Inc

2D 3D TSV

20443627

BI-97C1, an optically pure Apogossypol derivative as pan-active inhibitor of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins.

J Med Chem 53: 4166-76 (2010)

Sanford-Burnham Medical Research Institute

2D 3D TSV

20443228

1-(2-Ethoxyethyl)-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors.

Bioorg Med Chem Lett 20: 3120-4 (2010)

Pfizer Inc

2D 3D TSV

20443227

3D-QSAR study of benzene sulfonamide analogs as carbonic anhydrase II inhibitors.

Bioorg Med Chem Lett 20: 3089-93 (2010)

GITAM University

2D 3D TSV

20443226

Cyclopeptide Smac mimetics as antagonists of IAP proteins.

Bioorg Med Chem Lett 20: 3043-6 (2010)

University of Michigan

2D 3D TSV

20443225

Synthesis and SAR of novel isoquinoline CXCR4 antagonists with potent anti-HIV activity.

Bioorg Med Chem Lett 20: 3026-30 (2010)

GlaxoSmithKline

2D 3D TSV

20441222

Vaccinia virus virulence factor N1L is a novel promising target for antiviral therapeutic intervention.

J Med Chem 53: 3899-906 (2010)

Institute for Medical Research

2D 3D TSV

20441176

Conformationally constrained kappa receptor agonists: stereoselective synthesis and pharmacological evaluation of 6,8-diazabicyclo[3.2.2]nonane derivatives.

J Med Chem 53: 4212-22 (2010)

Wilhelms-Universit£t M£nster

2D 3D TSV

20441173

2-aminoimidazole amino acids as inhibitors of the binuclear manganese metalloenzyme human arginase I.

J Med Chem 53: 4266-76 (2010)

University of Pennsylvania

2D 3D TSV

20438080

Novel irreversible fluorescent probes targeting the 18 kDa translocator protein: synthesis and biological characterization.

J Med Chem 53: 4085-93 (2010)

Universit£ di Pisa

2D 3D TSV

20438064

Mechanism-based inhibitors of the aspartyl protease plasmepsin II as potential antimalarial agents.

J Med Chem 53: 4234-47 (2010)

Wayne State University

2D 3D TSV

20434913

N-Hydroxybenzimidazole inhibitors of ExsA MAR transcription factor in Pseudomonas aeruginosa: In vitro anti-virulence activity and metabolic stability.

Bioorg Med Chem Lett 20: 3380-3 (2010)

Paratek Pharmaceuticals, Inc.

2D 3D TSV

20434910

Highly potent, non-basic 5-HT6 ligands. Site mutagenesis evidence for a second binding mode at 5-HT6 for antagonism.

Bioorg Med Chem Lett 20: 3436-40 (2010)

Roche Palo Alto LLC

2D 3D TSV

20434909

Novel C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents: Pyridazinylmethylphenyl glucoside congeners.

Bioorg Med Chem Lett 20: 3420-5 (2010)

Green Cross Corporation

2D 3D TSV

20434817

Synthesis of novel peptidomimetics as inhibitors of protozoan cysteine proteases falcipain-2 and rhodesain.

Eur J Med Chem 45: 3228-33 (2010)

University of Messina

2D 3D TSV

20434334

Benzothiophene containing Rho kinase inhibitors: Efficacy in an animal model of glaucoma.

Bioorg Med Chem Lett 20: 3361-6 (2010)

Kalypsys Inc

2D 3D TSV

20434333

A vHTS approach for the identification of beta-adrenoceptor ligands.

Bioorg Med Chem Lett 20: 3399-404 (2010)

4SC AG

2D 3D TSV

Synthetic N-acetyl-D-glucosamine based fully branched tetrasaccharide, a mimetic of the endogenous ligand for CD69, activates CD69+ killer lymphocytes upon dimerization via a hydrophilic flexible linker.

20433142

J Med Chem 53: 4050-65 (2010)

Academy of Sciences of the Czech Republic

2D 3D TSV

20430631

NO-releasing esters show carbonic anhydrase inhibitory action against human isoforms I and II.

Bioorg Med Chem 18: 3559-63 (2010)

Atat£rk University

2D 3D TSV

20430629

1-(3-Deoxy-3-fluoro-beta-d-glucopyranosyl) pyrimidine derivatives as inhibitors of glycogen phosphorylase b: Kinetic, crystallographic and modelling studies.

Bioorg Med Chem 18: 3413-25 (2010)

National Hellenic Research Foundation

2D 3D TSV

20430628

Virtual screening, selection and development of a benzindolone structural scaffold for inhibition of lumazine synthase.

Bioorg Med Chem 18: 3518-34 (2010)

Purdue University

2D 3D TSV

20430619

8-THP-DHI analogs as potent Type I dual TIE-2/VEGF-R2 receptor tyrosine kinase inhibitors.

Bioorg Med Chem Lett 20: 3356-60 (2010)

Cephalon Inc

2D 3D TSV

20430618

Optimisation of a pyrazole series of progesterone antagonists; Part 1.

Bioorg Med Chem Lett 20: 3384-6 (2010)

Pfizer Inc

2D 3D TSV

20430616

Discovery of potent, balanced and orally active dual NK1/NK3 receptor ligands.

Bioorg Med Chem Lett 20: 3405-8 (2010)

F. Hoffmann-La Roche Inc

2D 3D TSV

20429779

Carbocyclic potential DNA minor groove binders and their biological evaluation.

J Enzyme Inhib Med Chem 25: 629-34 (2010)

Medical University

2D 3D TSV

20429511

Second generation analogues of the cancer drug clinical candidate tipifarnib for anti-Chagas disease drug discovery.

J Med Chem 53: 3887-98 (2010)

University of Washington

2D 3D TSV

20427189

A collection of caged compounds for probing roles of local translation in neurobiology.

Bioorg Med Chem 18: 7746-52 (2010)

University of Toronto

2D 3D TSV

20427184

5-Functionalized indazoles as glucocorticoid receptor agonists.

Bioorg Med Chem Lett 20: 3017-20 (2010)

AMRI

2D 3D TSV

20427100

5D-QSAR for spirocyclic sigma1 receptor ligands by Quasar receptor surface modeling.

Eur J Med Chem 45: 3116-24 (2010)

Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster

2D 3D TSV

107

20426472

Colloid formation by drugs in simulated intestinal fluid.

J Med Chem 53: 4259-65 (2010)

University of California San Francisco

2D 3D TSV

20426456

Hasubanan alkaloids with delta-opioid binding affinity from the aerial parts of Stephania japonica.

J Nat Prod 73: 988-91 (2010)

Griffith University

2D 3D TSV

20426425

Drug-resistant aurora A mutants for cellular target validation of the small molecule kinase inhibitors MLN8054 and MLN8237.

ACS Chem Biol 5: 563-76 (2010)

University of Sheffield

2D 3D TSV

20426423

Creating an antibacterial with in vivo efficacy: synthesis and characterization of potent inhibitors of the bacterial cell division protein FtsZ with improved pharmaceutical properties.

J Med Chem 53: 3927-36 (2010)

Biota Europe Ltd.

2D 3D TSV

20426422

Iminochromene inhibitors of dynamins I and II GTPase activity and endocytosis.

J Med Chem 53: 4094-102 (2010)

The University of Newcastle

2D 3D TSV

20426416

Inhibition of the Fe(4)S(4)-cluster-containing protein IspH (LytB): electron paramagnetic resonance, metallacycles, and mechanisms.

J Am Chem Soc 132: 6719-27 (2010)

University of Illinois at Urbana-Champaign

2D 3D TSV

20423107

The alternative medicine pawpaw and its acetogenin constituents suppress tumor angiogenesis via the HIF-1/VEGF pathway.

J Nat Prod 73: 956-61 (2010)

University of Mississippi

2D 3D TSV

20423086

Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity.

J Med Chem 53: 4028-37 (2010)

Merck Research Laboratories

2D 3D TSV

20421396

Substrate selectivity and a novel role in inhibitor discrimination by residue 237 in the KPC-2 beta-lactamase.

Antimicrob Agents Chemother 54: 2867-77 (2010)

Case Western Reserve University

2D 3D TSV

20420456

Polyamines in drug discovery: from the universal template approach to the multitarget-directed ligand design strategy.

J Med Chem 53: 5906-14 (2010)

University of Bologna

2D 3D TSV

20420387

Discovery of GSK1070916, a potent and selective inhibitor of Aurora B/C kinase.

J Med Chem 53: 3973-4001 (2010)

GlaxoSmithKline

2D 3D TSV

118

20417587

Synthesis and evaluation of benzoxazinone derivatives on activity of human neutrophil elastase and on hemorrhagic shock-induced lung injury in rats.

Eur J Med Chem 45: 3111-5 (2010)

Chang Gung University

2D 3D TSV

20417107

Design of new potent and selective secretory phospholipase A(2) inhibitors. 6-Synthesis, structure-activity relationships and molecular modelling of 1-substituted-4-[4,5-dihydro-1,2,4-(4H)-oxadiazol-5-one-3-yl(methyl)]-functionalized aryl piperazin/one/dione derivatives.

Bioorg Med Chem 18: 3588-600 (2010)

Universit£ Paris Diderot

2D 3D TSV

20417098

Novel hexahydropyrrolo[3,4-c]pyrrole CCR5 antagonists.

Bioorg Med Chem Lett 20: 3116-9 (2010)

Roche Palo Alto LLC

2D 3D TSV

20416509

Utilization of an in vivo reporter for high throughput identification of branched small molecule regulators of hypoxic adaptation.

Chem Biol 17: 380-91 (2010)

Weill Medical College of Cornell University

2D 3D TSV

20413314

Novel estrone mimetics with high 17beta-HSD1 inhibitory activity.

Bioorg Med Chem 18: 3494-505 (2010)

Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

2D 3D TSV

20413313

Functionalized pyrazoles and pyrazolo[3,4-d]pyridazinones: Synthesis and evaluation of their phosphodiesterase 4 inhibitory activity.

Bioorg Med Chem 18: 3506-17 (2010)

Universit£ degli Studi di Firenze

2D 3D TSV

20413312

Synthesis and opioid activity of novel 6-substituted-6-demethoxy-ethenomorphinans.

Bioorg Med Chem 18: 3535-42 (2010)

University of Debrecen

2D 3D TSV

20413308

Pharmacophore modeling strategies for the development of novel nonsteroidal inhibitors of human aromatase (CYP19).

Bioorg Med Chem Lett 20: 3050-64 (2010)

Johns Hopkins University

2D 3D TSV

20411957

Synthesis of DOTA-conjugated multimeric [Tyr3]octreotide peptides via a combination of Cu(I)-catalyzed"click" cycloaddition and thio acid/sulfonyl azide"sulfo-click" amidation and their in vivo evaluation.

J Med Chem 53: 3944-53 (2010)

Utrecht University

2D 3D TSV

20411954

Structure-activity relationships of fluorinated (E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-enone-O-methyloxime (ABP688) derivatives and the discovery of a high affinity analogue as a potential candidate for imaging metabotropic glutamate recepors subtype 5 (mGluR5) with positron emission tomog

J Med Chem 53: 4009-17 (2010)

ETH Zurich

2D 3D TSV

20409721

Discovery of GS-9131: Design, synthesis and optimization of amidate prodrugs of the novel nucleoside phosphonate HIV reverse transcriptase (RT) inhibitor GS-9148.

Bioorg Med Chem 18: 3606-17 (2010)

Gilead Sciences

2D 3D TSV

20409718

Synthesis and binding analysis of unique AG2 pentasaccharide to human Siglec-2 using NMR techniques.

Bioorg Med Chem 18: 3720-5 (2010)

Institute

2D 3D TSV

20409708

3-Aryl-5-phenoxymethyl-1,3-oxazolidin-2-ones as positive allosteric modulators of mGluR2 for the treatment of schizophrenia: Hit-to-lead efforts.

Bioorg Med Chem Lett 20: 3129-33 (2010)

Merck Research Laboratories

2D 3D TSV

20409707

Chiral NG-acylated hetarylpropylguanidine-type histamine H2 receptor agonists do not show significant stereoselectivity.

Bioorg Med Chem Lett 20: 3173-6 (2010)

University of Regensburg

2D 3D TSV

20409618

Inhibitors of the RET tyrosine kinase based on a 2-(alkylsulfanyl)-4-(3-thienyl)nicotinonitrile scaffold.

Eur J Med Chem 45: 2919-27 (2010)

Technische Universit£t Braunschweig

2D 3D TSV

20408553

Stereochemical requirements for the mineralocorticoid receptor antagonist activity of dihydropyridines.

J Med Chem 53: 4300-4 (2010)

Pfizer Inc

2D 3D TSV

20408551

Lessons learned from herbal medicinal products: the example of St. John's Wort (perpendicular).

J Nat Prod 73: 1015-21 (2010)

Westfalische Wilhelms-Universitat

2D 3D TSV

20408549

Structure-activity relationships of 6-methyl-benzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, potent antagonist of the neurokinin-2 receptor.

J Med Chem 53: 4148-65 (2010)

Menarini Ricerche

2D 3D TSV

20408532

Synthesis and evaluation of 17alpha-arylestradiols as ligands for estrogen receptor alpha and beta.

J Med Chem 53: 4290-4 (2010)

Academy of Sciences of the Czech Republic

2D 3D TSV

20408530

Novel N2-substituted pyrazolo[3,4-d]pyrimidine adenosine A3 receptor antagonists: inhibition of A3-mediated human glioblastoma cell proliferation.

J Med Chem 53: 3954-63 (2010)

Universit£ di Pisa

2D 3D TSV

20408529

4-hydroxy-1,2,5-oxadiazol-3-yl moiety as bioisoster of the carboxy function. Synthesis, ionization constants, and molecular pharmacological characterization at ionotropic glutamate receptors of compounds related to glutamate and its homologues.

J Med Chem 53: 4110-8 (2010)

Universit£ degli Studi di Torino

2D 3D TSV

20405928

Function-oriented synthesis of simplified caprazamycins: discovery of oxazolidine-containing uridine derivatives as antibacterial agents against drug-resistant bacteria.

J Med Chem 53: 3793-813 (2010)

Hokkaido University

2D 3D TSV

20405927

Structure-based discovery of A2A adenosine receptor ligands.

J Med Chem 53: 3748-55 (2010)

University of California

2D 3D TSV

20405925

Multiple toxin production in the cyanobacterium microcystis: isolation of the toxic protease inhibitor cyanopeptolin 1020.

J Nat Prod 73: 980-4 (2010)

University of Basel

2D 3D TSV

20405922

Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).

J Med Chem 53: 3814-30 (2010)

Bristol-Myers Squibb Research and Development

2D 3D TSV

20405848

Design, synthesis, and interaction study of quinazoline-2(1H)-thione derivatives as novel potential Bcl-xL inhibitors.

J Med Chem 53: 3465-79 (2010)

Chinese Academy of Sciences

2D 3D TSV

20404126

Comparison of in vitro activities of fluoroquinolone-like 2,4- and 1,3-diones.

Antimicrob Agents Chemother 54: 3011-4 (2010)

University of Minnesota Medical School

2D 3D TSV

20404117

Specificity of induction of the vanA and vanB operons in vancomycin-resistant enterococci by telavancin.

Antimicrob Agents Chemother 54: 2814-8 (2010)

Theravance, Inc.

2D 3D TSV

20403700

Synthesis and biological activity of N(4)-phenylsubstituted-6-(2,4-dichloro phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamines as vascular endothelial growth factor receptor-2 inhibitors and antiangiogenic and antitumor agents.

Bioorg Med Chem 18: 3575-87 (2010)

Duquesne University

2D 3D TSV

20403696

Modifications of C-2 on the pyrroloquinoline template aimed at the development of potent herpesvirus antivirals with improved aqueous solubility.

Bioorg Med Chem Lett 20: 3039-42 (2010)

Pfizer Inc

2D 3D TSV

20403693

The contribution of a 2-amino group on receptor tyrosine kinase inhibition and antiangiogenic activity in 4-anilinosubstituted pyrrolo[2,3-d]pyrimidines.

Bioorg Med Chem Lett 20: 3177-81 (2010)

Duquesne University

2D 3D TSV

20402514

The identification of indacaterol as an ultralong-acting inhaled beta2-adrenoceptor agonist.

J Med Chem 53: 3675-84 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20400309

1-(2-(2,2,2-trifluoroethoxy)ethyl-1H-pyrazolo[4,3-d]pyrimidines as potent phosphodiesterase 5 (PDE5) inhibitors.

Bioorg Med Chem Lett 20: 3125-8 (2010)

Pfizer Inc

2D 3D TSV

20399652

Macrocyclic BACE inhibitors: Optimization of a micromolar hit to nanomolar leads.

Bioorg Med Chem Lett 20: 3158-60 (2010)

Johnson & Johnson Pharmaceutical Research & Development

2D 3D TSV

20399651

Synthesis and structure-activity relationships of a series of (1H-pyrazol-4-yl)acetamide antagonists of the P2X7 receptor.

Bioorg Med Chem Lett 20: 3161-4 (2010)

GlaxoSmithKline

2D 3D TSV

20399649

Insulin-like growth factor-1 receptor (IGF-1R) kinase inhibitors: SAR of a series of 3-[6-(4-substituted-piperazin-1-yl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridine-2-one.

Bioorg Med Chem Lett 20: 3182-5 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

20397706

Investigation of the bioactive conformation of histamine H3 receptor antagonists by the cyclopropylic strain-based conformational restriction strategy.

J Med Chem 53: 3585-93 (2010)

Hokkaido University

2D 3D TSV

20397705

Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors.

J Med Chem 53: 3532-51 (2010)

Nerviano Medical Sciences srl

2D 3D TSV

208

20395149

Synthesis, characterization and vasculoprotective effects of nitric oxide-donating derivatives of chrysin.

Bioorg Med Chem 18: 3020-5 (2010)

Central South University

2D 3D TSV

20395148

Anti-microtubule 'plinabulin' chemical probe KPU-244-B3 labeled both alpha- and beta-tubulin.

Bioorg Med Chem 18: 3169-74 (2010)

Tokyo University of Pharmacy and Life Sciences

2D 3D TSV

20395140

Discovery of 5-substituted-N-arylpyridazinones as inhibitors of p38 MAP kinase.

Bioorg Med Chem Lett 20: 3146-9 (2010)

Pfizer Inc

2D 3D TSV

20394422

Synthesis, chiral high performance liquid chromatographic resolution and enantiospecific activity of a potent new geranylgeranyl transferase inhibitor, 2-hydroxy-3-imidazo[1,2-a]pyridin-3-yl-2-phosphonopropionic acid.

J Med Chem 53: 3454-64 (2010)

University of Southern California

2D 3D TSV

20394379

Merging the structural motifs of functionalized amino acids and alpha-aminoamides: compounds with significant anticonvulsant activities.

J Med Chem 53: 3756-71 (2010)

University of North Carolina

2D 3D TSV

20394377

Frontal affinity chromatography-mass spectrometry useful for characterization of new ligands for GPR17 receptor.

J Med Chem 53: 3489-501 (2010)

University of Pavia

2D 3D TSV

20392639

Discovery of 2-chloro-N-((4,4-difluoro-1-hydroxycyclohexyl)methyl)-5-(5-fluoropyrimidin-2-yl)benzamide as a potent and CNS penetrable P2X7 receptor antagonist.

Bioorg Med Chem Lett 20: 3107-11 (2010)

Pfizer Inc

2D 3D TSV

20392638

Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides.

Bioorg Med Chem Lett 20: 3142-5 (2010)

Takeda California Inc

2D 3D TSV

20392637

Benzimidazole and imidazole inhibitors of histone deacetylases: Synthesis and biological activity.

Bioorg Med Chem Lett 20: 3138-41 (2010)

Takeda California Inc

2D 3D TSV

159

20387815

Mono-, di-, and triaryl substituted tetrahydropyrans as cyclooxygenase-2 and tumor growth inhibitors. Synthesis and biological evaluation.

J Med Chem 53: 3707-17 (2010)

Guru Nanak Dev University

2D 3D TSV

20385875

A nonazole CYP51 inhibitor cures Chagas' disease in a mouse model of acute infection.

Antimicrob Agents Chemother 54: 2480-8 (2010)

University of California

2D 3D TSV

20385558

Discovery of PDK1 kinase inhibitors with a novel mechanism of action by ultrahigh throughput screening.

J Biol Chem 285: 18838-46 (2010)

Merck Research Laboratories

2D 3D TSV

20385498

3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 3: Synthesis, metabolic stability, and biological evaluation of optically active analogs.

Bioorg Med Chem 18: 3212-23 (2010)

Minase Research Institute

2D 3D TSV

115

20385496

Synthesis and evaluation of new N6-substituted adenosine-5'-N-methylcarboxamides as A3 adenosine receptor agonists.

Bioorg Med Chem 18: 3078-87 (2010)

Monash University

2D 3D TSV

20384344

Role of hydrophobic substituents on the terminal nitrogen of histamine in receptor binding and agonist activity: development of an orally active histamine type 3 receptor agonist and evaluation of its antistress activity in mice.

J Med Chem 53: 3840-4 (2010)

Meiji Seika Kaisha, Ltd

2D 3D TSV

20384317

Glutarimide alkaloids and a terpenoid benzoquinone from Cordia globifera.

J Nat Prod 73: 992-4 (2010)

Chulabhorn Research Institute

2D 3D TSV

20384315

Cytotoxic and NF-kappaB inhibitory constituents of Artocarpus rigida.

J Nat Prod 73: 949-55 (2010)

The Ohio State University

2D 3D TSV

20383151

Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.

Nat Chem Biol 6: 359-68 (2010)

Dana-Farber Cancer Institute Inc

2D 3D TSV

20382541

Structure-activity relationships in a novel series of 7-substituted-aryl quinolines and 5-substituted-aryl benzothiazoles at the metabotropic glutamate receptor subtype 5.

Bioorg Med Chem 18: 3026-35 (2010)

National Institute on Drug Abuse-Intramural Research Program

2D 3D TSV

20382540

In silico directed chemical probing of the adenosine receptor family.

Bioorg Med Chem 18: 3043-52 (2010)

Universidade do Minho

2D 3D TSV

20382537

Antagonism of 4-substituted 1,4-dihydropyridine-3,5-dicarboxylates toward voltage-dependent L-type Ca2+ channels Ca V 1.3 and Ca V 1.2.

Bioorg Med Chem 18: 3147-58 (2010)

Northwestern University

2D 3D TSV

138

20382529

Synthesis and biological evaluation of 1,4-diazepane derivatives as T-type calcium channel blockers.

Bioorg Med Chem Lett 20: 2705-8 (2010)

Institute of Science and Technology

2D 3D TSV

20382527

Design, synthesis and structure-activity relationships of novel biarylamine-based Met kinase inhibitors.

Bioorg Med Chem Lett 20: 2998-3002 (2010)

Bristol-Myers Squibb Research and Development

2D 3D TSV

20382019

Synthesis of 4-(3-biaryl)quinoline sulfones as potent liver X receptor agonists.

Bioorg Med Chem Lett 20: 2903-7 (2010)

Wyeth Pharmaceuticals

2D 3D TSV

20382018

Novel substituted pyrrolidines are high affinity histamine H3 receptor antagonists.

Bioorg Med Chem Lett 20: 2755-60 (2010)

Johnson & Johnson Pharmaceutical Research & Development LLC

2D 3D TSV

20382016

Chromone-2- and -3-carboxylic acids inhibit differently monoamine oxidases A and B.

Bioorg Med Chem Lett 20: 2709-12 (2010)

Universit£ Magna Graecia di Catanzaro

2D 3D TSV

20381363

In vitro TRPV1 activity of piperine derived amides.

Bioorg Med Chem 18: 3299-306 (2010)

Universidad de Antioquia

2D 3D TSV

20381362

Design of pentapeptidic BACE1 inhibitors with carboxylic acid bioisosteres at P1' and P4 positions.

Bioorg Med Chem 18: 3175-86 (2010)

Kyoto Pharmaceutical University

2D 3D TSV

20381361

Structure-activity relationships of bioisosteric replacement of the carboxylic acid in novel androgen receptor pure antagonists.

Bioorg Med Chem 18: 3159-68 (2010)

Chugai Pharmaceutical Co. Ltd

2D 3D TSV

20381359

Synthesis and biological activity of cyclotetrapeptide analogues of the natural HDAC inhibitor FR235222.

Bioorg Med Chem 18: 3252-60 (2010)

Universit£ degli Studi di Salerno

2D 3D TSV

20380423

KDR Kinase Inhibitor Isolated from the Mushroom Boletopsis leucomelas.

J Nat Prod 73: 1002-4 (2010)

Meiji Pharmaceutical University

2D 3D TSV

20380377

Discovery of novel and potent leukotriene B4 receptor antagonists. Part 1.

J Med Chem 53: 3502-16 (2010)

Roche Research Center

2D 3D TSV

20378363

Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent beta-secretase inhibitory leads.

Bioorg Med Chem 18: 3088-115 (2010)

Applied Science University

2D 3D TSV

135

20378362

3'-(1,2,3-Triazol-1-yl)-3'-deoxythymidine analogs as substrates for human and Ureaplasma parvum thymidine kinase for structure-activity investigations.

Bioorg Med Chem 18: 3261-9 (2010)

Swedish University Agricultural Sciences

2D 3D TSV

20378348

Water-soluble PDE4 inhibitors for the treatment of dry eye.

Bioorg Med Chem Lett 20: 2928-32 (2010)

Kalypsys Inc

2D 3D TSV

20378347

Heterocyclic cycloalkanol ethylamines as norepinephrine reuptake inhibitors.

Bioorg Med Chem Lett 20: 2809-12 (2010)

Wyeth Research

2D 3D TSV

20378346

Synthesis and biological activity of 2H-quinolizin-2-one based p38alpha MAP kinase inhibitors.

Bioorg Med Chem Lett 20: 2765-9 (2010)

Merck Research Laboratories

2D 3D TSV

20378345

(-)-Menthylamine derivatives as potent and selective antagonists of transient receptor potential melastatin type-8 (TRPM8) channels.

Bioorg Med Chem Lett 20: 2729-32 (2010)

Sapienza University of Rome

2D 3D TSV

20373765

Pyrazolylthiazole as DeltaF508-cystic fibrosis transmembrane conductance regulator correctors with improved hydrophilicity compared to bithiazoles.

J Med Chem 53: 3772-81 (2010)

University of California Davis

2D 3D TSV

20373302

The identification of a novel natural activator of p300 histone acetyltranferase provides new insights into the modulation mechanism of this enzyme.

Chembiochem 11: 818-27 (2010)

Universitá degli Studi di Salerno

2D 3D TSV

20371182

Synthesis and biological evaluation of novel C5 halogen-functionalized S-DABO as potent HIV-1 non-nucleoside reverse transcriptase inhibitors.

Bioorg Med Chem 18: 3231-7 (2010)

Peking University

2D 3D TSV

20371180

Cytotoxicity and inhibition of DNA topoisomerase I of polyhydroxylated triterpenoids and triterpenoid glycosides.

Bioorg Med Chem Lett 20: 2790-6 (2010)

Stephen F. Austin State University

2D 3D TSV

Discovery of novel leukotriene A4 hydrolase inhibitors based on piperidine and piperazine scaffolds.

20371179

Bioorg Med Chem Lett 20: 2851-4 (2010)

deCODE Chemistry Inc

2D 3D TSV

20371178

Synthesis of 7-benzyl-5-(piperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-ylamine and its analogs as bombesin receptor subtype-3 agonists.

Bioorg Med Chem Lett 20: 2785-9 (2010)

AMRI

2D 3D TSV

20371139

Synthesis and pharmacological evaluation of novel substituted 9-deazaxanthines as A2B receptor antagonists.

Eur J Med Chem 45: 2884-92 (2010)

Universidade de A Coru£a

2D 3D TSV

20369879

Bradykinin B1 receptor antagonists as potential therapeutic agents for pain.

J Med Chem 53: 5383-99 (2010)

Johnson & Johnson Pharmaceutical Research and Development LLC

2D 3D TSV

20364863

Evolution of poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors. From concept to clinic.

J Med Chem 53: 4561-84 (2010)

Johns Hopkins University Brain Science Institute

2D 3D TSV

20363638

Sugar-based peptidomimetics as potential inhibitors of the vascular endothelium growth factor binding to neuropilin-1.

Bioorg Med Chem 18: 3285-98 (2010)

Nancy Universit£-CNRS

2D 3D TSV

20363636

Prenylated pterocarpans as bacterial neuraminidase inhibitors.

Bioorg Med Chem 18: 3335-44 (2010)

Chosun University

2D 3D TSV

20363635

Identification of serotonin 5-HT1A receptor partial agonists in ginger.

Bioorg Med Chem 18: 3345-51 (2010)

Department of Chemistry and Applied Biosciences

2D 3D TSV

20363633

Thioether benzenesulfonamide inhibitors of carbonic anhydrases II and IV: structure-based drug design, synthesis, and biological evaluation.

Bioorg Med Chem 18: 3307-19 (2010)

Pfizer Inc

2D 3D TSV

20363629

Discovery and structural optimization of pyrazole derivatives as novel inhibitors of Cdc25B.

Bioorg Med Chem Lett 20: 2876-9 (2010)

Chinese Academy of Sciences

2D 3D TSV

20363627

Identification and structure-activity relationship of 8-hydroxy-quinoline-7-carboxylic acid derivatives as inhibitors of Pim-1 kinase.

Bioorg Med Chem Lett 20: 2801-5 (2010)

Universit£ Paris-Sud

2D 3D TSV

20363625

Identification of a novel series of potent RON receptor tyrosine kinase inhibitors.

Bioorg Med Chem Lett 20: 2745-9 (2010)

MethylGene Inc

2D 3D TSV

20363624

Potent tricyclic pyrazole tetrazole agonists of the nicotinic acid receptor (GPR109a).

Bioorg Med Chem Lett 20: 2797-800 (2010)

Arena Pharmaceuticals

2D 3D TSV

20363144

Synthesis of a biologically active isomer of kotalanol, a naturally occurring glucosidase inhibitor.

Bioorg Med Chem 18: 2829-35 (2010)

Simon Fraser University

2D 3D TSV

20363133

Exploration of secondary and tertiary pharmacophores in unsymmetrical N,N'-diaryl urea inhibitors of soluble epoxide hydrolase.

Bioorg Med Chem Lett 20: 2740-4 (2010)

Ar£te Therapeutics, Inc.

2D 3D TSV

20363132

Probing the cannabinoid CB1/CB2 receptor subtype selectivity limits of 1,2-diarylimidazole-4-carboxamides by fine-tuning their 5-substitution pattern.

Bioorg Med Chem Lett 20: 2770-5 (2010)

Solvay Pharma

2D 3D TSV

20363131

Design of new dopamine D2 receptor ligands: biosynthesis and pharmacological evaluation of the hydroxylated metabolite of LASSBio-581.

Bioorg Med Chem Lett 20: 2888-91 (2010)

Universidade Federal de Goi£s

2D 3D TSV

20363128

Optimization of 7-alkene-3-quinolinecarbonitriles as Src kinase inhibitors.

Bioorg Med Chem Lett 20: 2924-7 (2010)

Wyeth Research

2D 3D TSV

20363126

The development and SAR of pyrrolidine carboxamide 11beta-HSD1 inhibitors.

Bioorg Med Chem Lett 20: 2897-902 (2010)

Pfizer Inc

2D 3D TSV

20361801

Bivalent beta-carbolines as potential multitarget anti-Alzheimer agents.

J Med Chem 53: 3611-7 (2010)

Friedrich-Schiller-Universitat Jena

2D 3D TSV

5,5'-substituted indirubin-3'-oxime derivatives as potent cyclin-dependent kinase inhibitors with anticancer activity.

20361800

J Med Chem 53: 3696-706 (2010)

Institute of Science and Technology

2D 3D TSV

20359891

A prodrug approach towards the development of tricyclic-based FBPase inhibitors.

Bioorg Med Chem Lett 20: 2938-41 (2010)

Daiichi Sankyo Co., Ltd

2D 3D TSV

20359225

Targeting multiple chorismate-utilizing enzymes with a single inhibitor: validation of a three-stage design.

J Med Chem 53: 3718-29 (2010)

University of California

2D 3D TSV

20356741

Synthesis and anti-tumor activities of methyl 2-O-aryl-6-O-aryl'-D-glucopyranosides.

Bioorg Med Chem Lett 20: 2855-8 (2010)

Ocean University of China

2D 3D TSV

20356739

Imidazoacridin-6-ones as novel inhibitors of the quinone oxidoreductase NQO2.

Bioorg Med Chem Lett 20: 2832-6 (2010)

the University of Manchester and Manchester Cancer Research Center

2D 3D TSV

20356736

Synthesis and structure-activity relationships of 2-aryl-4-oxazolylmethoxy benzylglycines and 2-aryl-4-thiazolylmethoxy benzylglycines as novel, potent PPARalpha selective activators- PPARalpha and PPARgamma selectivity modulation.

Bioorg Med Chem Lett 20: 2933-7 (2010)

Bristol-Myers Squibb R & D

2D 3D TSV

20356655

Novel benzimidazole-pyrimidine conjugates as potent antitumor agents.

Eur J Med Chem 45: 2336-44 (2010)

National Research Centre

2D 3D TSV

20356305

Transient receptor potential ankyrin 1 (TRPA1) channel as emerging target for novel analgesics and anti-inflammatory agents.

J Med Chem 53: 5085-107 (2010)

Ferrara University

2D 3D TSV

151

20356304

alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) antagonists: from bench to bedside.

J Med Chem 53: 5367-82 (2010)

Novartis Pharma AG

2D 3D TSV

20356098

A novel class of antihyperlipidemic agents with low density lipoprotein receptor up-regulation via the adaptor protein autosomal recessive hypercholesterolemia.

J Med Chem 53: 3284-95 (2010)

Dainippon Sumitomo Pharma Co., Ltd

2D 3D TSV

20355714

Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor.

J Med Chem 53: 3517-31 (2010)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

20355713

Imaging progesterone receptor in breast tumors: synthesis and receptor binding affinity of fluoroalkyl-substituted analogues of tanaproget.

J Med Chem 53: 3349-60 (2010)

University of Illinois

2D 3D TSV

20355712

Novel 4-(piperidin-4-yl)-1-hydroxypyrazoles as gamma-aminobutyric acid(A) receptor ligands: synthesis, pharmacology, and structure-activity relationships.

J Med Chem 53: 3417-21 (2010)

University of Copenhagen

2D 3D TSV

20353344

Design, synthesis and anticholinesterase activity of some new a-aminobisphosphonates.

J Enzyme Inhib Med Chem 25: 827-35 (2010)

Tarbiat Modares University

2D 3D TSV

20353152

A series of alpha-heterocyclic carboxaldehyde thiosemicarbazones inhibit topoisomerase IIalpha catalytic activity.

J Med Chem 53: 3048-64 (2010)

Chinese Academy of Sciences

2D 3D TSV

20350951

Preclinical evaluation of the antifolate QN254, 5-chloro- N'6'-(2,5-dimethoxy-benzyl)-quinazoline-2,4,6-triamine, as an antimalarial drug candidate.

Antimicrob Agents Chemother 54: 2603-10 (2010)

Kenya Medical Research Institute/Wellcome Trust Collaborative Research Program

2D 3D TSV

20350811

Non-classical antifolates. Part 2: synthesis, biological evaluation, and molecular modeling study of some new 2,6-substituted-quinazolin-4-ones.

Bioorg Med Chem 18: 2849-63 (2010)

King Saud University

2D 3D TSV

20350808

Bivalent 5,8,9,13b-tetrahydro-6H-isoquino[1,2-a]isoquinolines and -isoquinolinium salts: novel heterocyclic templates for butyrylcholinesterase inhibitors.

Bioorg Med Chem Lett 20: 2946-9 (2010)

Friedrich-Schiller-Universit£t Jena

2D 3D TSV

20350807

Molecular modelling, synthesis and acetylcholinesterase inhibition of ethyl 5-amino-2-methyl-6,7,8,9-tetrahydrobenzo[b][1,8]naphthyridine-3-carboxylate.

Bioorg Med Chem Lett 20: 2950-3 (2010)

Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC)

2D 3D TSV

20350806

Inhibition of gamma-secretase by the CK1 inhibitor IC261 does not depend on CK1delta.

Bioorg Med Chem Lett 20: 2958-63 (2010)

Technische Universit£t Darmstadt

2D 3D TSV

20350805

A rapid oxime linker-based library approach to identification of bivalent inhibitors of the Yersinia pestis protein-tyrosine phosphatase, YopH.

Bioorg Med Chem Lett 20: 2813-6 (2010)

National Cancer Institute-Frederick

2D 3D TSV

20350005

Identification of phenylsulfone-substituted quinoxaline (WYE-672) as a tissue selective liver X-receptor (LXR) agonist.

J Med Chem 53: 3296-304 (2010)

Wyeth Pharmaceuticals

2D 3D TSV

20349977

Pharmacophore development and application toward the identification of novel, small-molecule autotaxin inhibitors.

J Med Chem 53: 3095-105 (2010)

The University of Memphis

2D 3D TSV

20349953

Solution phase parallel synthesis of substituted 3-phenylsulfonyl-[1,2,3]triazolo[1,5-a]quinazolines: selective serotonin 5-HT(6) receptor antagonists.

J Comb Chem 12: 445-52 (2010)

Chemical Diversity Research Institute

2D 3D TSV

20347594

Truxillic acid derivatives act as peroxisome proliferator-activated receptor gamma activators.

Bioorg Med Chem Lett 20: 2920-3 (2010)

Goethe-University Frankfurt

2D 3D TSV

20347593

Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.

Bioorg Med Chem Lett 20: 2837-42 (2010)

Merck Research Laboratories

2D 3D TSV

20347318

New aromatic monoesters of alpha-aminoaralkylphosphonic acids as inhibitors of aminopeptidase N/CD13.

Bioorg Med Chem 18: 2930-6 (2010)

Wroclaw University of Technology

2D 3D TSV

20347317

Synthesis and structure-activity relationship studies of peptidomimetic PKB/Akt inhibitors: the significance of backbone interactions.

Bioorg Med Chem 18: 2976-85 (2010)

The Hebrew University of Jerusalem

2D 3D TSV

20347304

Methylene amine substituted arylindenopyrimidines as potent adenosine A(2A)/A(1) antagonists.

Bioorg Med Chem Lett 20: 2864-7 (2010)

Johnson & Johnson Pharmaceutical Research and Development LLC

2D 3D TSV

20347302

Peripheral site acetylcholinesterase inhibitors targeting both inflammation and cholinergic dysfunction.

Bioorg Med Chem Lett 20: 2987-90 (2010)

Lehigh University

2D 3D TSV

20347301

New 5-HT(1A) receptor ligands containing a N'-cyanoisonicotinamidine nucleus: synthesis and in vitro pharmacological evaluation.

Bioorg Med Chem Lett 20: 2978-82 (2010)

Universit£ di Napoli Federico II

2D 3D TSV

20347298

Potent dihydroquinolinone dopamine D2 partial agonist/serotonin reuptake inhibitors for the treatment of schizophrenia.

Bioorg Med Chem Lett 20: 2983-6 (2010)

Wyeth Research

2D 3D TSV

20347297

The discovery and structure-activity relationships of 2-(piperidin-3-yl)-1H-benzimidazoles as selective, CNS penetrating H1-antihistamines for insomnia.

Bioorg Med Chem Lett 20: 2916-9 (2010)

Neurocrine Biosciences Inc

2D 3D TSV

20347296

Synthesis and SAR of heterocyclic carboxylic acid isosteres based on 2-biarylethylimidazole as bombesin receptor subtype-3 (BRS-3) agonists for the treatment of obesity.

Bioorg Med Chem Lett 20: 2912-5 (2010)

AMRI

2D 3D TSV

20347295

Synthesis and biological evaluation of novel 2-arylalkylthio-4-amino-6-benzyl pyrimidines as potent HIV-1 non-nucleoside reverse transcriptase inhibitors.

Bioorg Med Chem Lett 20: 3003-5 (2010)

Capital Medical University

2D 3D TSV

20347189

Efficient synthesis and identification of novel propane-1,3-diamino bridged CCR5 antagonists with variation on the basic center carrier.

Eur J Med Chem 45: 2827-40 (2010)

Institute of Materia Medica

2D 3D TSV

20346682

Ircinialactams: subunit-selective glycine receptor modulators from Australian sponges of the family Irciniidae.

Bioorg Med Chem 18: 2912-9 (2010)

The University of Queensland

2D 3D TSV

20346665

A-ring modifications on the triazafluorenone core structure and their mGluR1 antagonist properties.

Bioorg Med Chem Lett 20: 2474-7 (2010)

Merck Research Laboratories

2D 3D TSV

20346664

gamma-Lactams as glycinamide replacements in cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists.

Bioorg Med Chem Lett 20: 2425-30 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

20346663

Discovery of novel N-acylsulfonamide analogs as potent and selective EP3 receptor antagonists.

Bioorg Med Chem Lett 20: 2639-43 (2010)

Minase Research Institute

2D 3D TSV

20346662

The development and validation of a novel virtual screening cascade protocol to identify potential serotonin 5-HT(7)R antagonists.

Bioorg Med Chem Lett 20: 2465-8 (2010)

Polish Academy of Sciences

2D 3D TSV

20346659

Amide-based inhibitors of p38alpha MAP kinase. Part 2: design, synthesis and SAR of potent N-pyrimidyl amides.

Bioorg Med Chem Lett 20: 2560-3 (2010)

Scios Inc

2D 3D TSV

20346656

Identification of GNE-477, a potent and efficacious dual PI3K/mTOR inhibitor.

Bioorg Med Chem Lett 20: 2408-11 (2010)

Genentech

2D 3D TSV

20346655

Imidazo[2,1-b]thiazoles: multitargeted inhibitors of both the insulin-like growth factor receptor and members of the epidermal growth factor family of receptor tyrosine kinases.

Bioorg Med Chem Lett 20: 2452-5 (2010)

Abbott Laboratories

2D 3D TSV

117

20346654

Curcumin derivatives inhibit testicular 17beta-hydroxysteroid dehydrogenase 3.

Bioorg Med Chem Lett 20: 2549-51 (2010)

School of Pharmacy

2D 3D TSV

20346653

Amide-based inhibitors of p38alpha MAP kinase. Part 1: discovery of novel N-pyridyl amide lead molecules.

Bioorg Med Chem Lett 20: 2556-9 (2010)

Scios Inc

2D 3D TSV

20345102

Discovery of tertiary sulfonamides as potent liver X receptor antagonists.

J Med Chem 53: 3412-6 (2010)

GlaxoSmithKline

2D 3D TSV

20345101

Hybrid ortho/allosteric ligands for the adenosine A(1) receptor.

J Med Chem 53: 3028-37 (2010)

Leiden University

2D 3D TSV

20338760

Optimization of arylindenopyrimidines as potent adenosine A(2A)/A(1) antagonists.

Bioorg Med Chem Lett 20: 2868-71 (2010)

Johnson & Johnson Pharmaceutical Research and Development LLC

2D 3D TSV

20338758

Synthesis and evaluation of alkenyl indazoles as selective Aurora kinase inhibitors.

Bioorg Med Chem Lett 20: 2443-7 (2010)

S*BIO Pte Ltd

2D 3D TSV

20338757

The effect of the pyridyl nitrogen position in pyridylpiperazine sigma ligands.

Bioorg Med Chem Lett 20: 2564-5 (2010)

University of Maryland

2D 3D TSV

20338520

A structure-guided approach to creating covalent FGFR inhibitors.

Chem Biol 17: 285-95 (2010)

Harvard Medical School

2D 3D TSV

20337495

2-MeS-beta,gamma-CCl2-ATP is a potent agent for reducing intraocular pressure.

J Med Chem 53: 3305-19 (2010)

Bar-Ilan University

2D 3D TSV

20337461

Removal of sphingosine 1-phosphate receptor-3 (S1P(3)) agonism is essential, but inadequate to obtain immunomodulating 2-aminopropane-1,3-diol S1P(1) agonists with reduced effect on heart rate.

J Med Chem 53: 3154-68 (2010)

Mitsubishi Tanabe Pharma Corporation

2D 3D TSV

20337371

Optimization of phenyl-substituted benzimidazole carboxamide poly(ADP-ribose) polymerase inhibitors: identification of (S)-2-(2-fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide (A-966492), a highly potent and efficacious inhibitor.

J Med Chem 53: 3142-53 (2010)

Abbott Laboratories

2D 3D TSV

20335039

Design, synthesis and evaluation of novel 2-thiophen-5-yl-3H-quinazolin-4-one analogues as inhibitors of transcription factors NF-kappaB and AP-1 mediated transcriptional activation: Their possible utilization as anti-inflammatory and anti-cancer agents.

Bioorg Med Chem 18: 2796-808 (2010)

B.V. Patel Pharmaceutical Education and Research Development Centre

2D 3D TSV

20335034

Discovery of a new series of Aurora inhibitors through truncation of GSK1070916.

Bioorg Med Chem Lett 20: 2552-5 (2010)

GlaxoSmithKline

2D 3D TSV

20334371

Virtual screening for the identification of novel nonsteroidal glucocorticoid modulators.

J Med Chem 53: 3065-74 (2010)

Trinity College

2D 3D TSV

20334367

Synthesis and SAR of novel 4-morpholinopyrrolopyrimidine derivatives as potent phosphatidylinositol 3-kinase inhibitors.

J Med Chem 53: 3169-82 (2010)

Wyeth Research

2D 3D TSV

20329799

Discovery of a selective small-molecule melanocortin-4 receptor agonist with efficacy in a pilot study of sexual dysfunction in humans.

J Med Chem 53: 3183-97 (2010)

Pfizer Inc

2D 3D TSV

The M230L nonnucleoside reverse transcriptase inhibitor resistance mutation in HIV-1 reverse transcriptase impairs enzymatic function and viral replicative capacity.

20308384

Antimicrob Agents Chemother 54: 2401-8 (2010)

Institute-Jewish General Hospital

2D 3D TSV

20308379

In vitro properties of BAL30072, a novel siderophore sulfactam with activity against multiresistant gram-negative bacilli.

Antimicrob Agents Chemother 54: 2291-302 (2010)

Basilea Pharmaceutica International Ltd.

2D 3D TSV

20308072

Biochemical characterization of the cellular glycosylphosphatidylinositol-linked membrane type-6 matrix metalloproteinase.

J Biol Chem 285: 16076-86 (2010)

Sanford-Burnham Medical Research Institute

2D 3D TSV

20307981

Rational design of a pirinixic acid derivative that acts as subtype-selective PPARgamma modulator.

Bioorg Med Chem Lett 20: 2469-73 (2010)

Goethe-University Frankfurt

2D 3D TSV

20307980

B-Raf kinase inhibitors: hit enrichment through scaffold hopping.

Bioorg Med Chem Lett 20: 2431-4 (2010)

Wyeth Research

2D 3D TSV

20307065

The significance of 2-furyl ring substitution with a 2-(para-substituted) aryl group in a new series of pyrazolo-triazolo-pyrimidines as potent and highly selective hA(3) adenosine receptors antagonists: new insights into structure-affinity relationship and receptor-antagonist recognition.

J Med Chem 53: 3361-75 (2010)

National University of Singapore

2D 3D TSV

Discovery of novel 6,6-heterocycles as transient receptor potential vanilloid (TRPV1) antagonists.

20307063

J Med Chem 53: 3330-48 (2010)

Neurogen Corporation

2D 3D TSV

20304659

Conjugates of plumbagin and phenyl-2-amino-1-thioglucoside inhibit MshB, a deacetylase involved in the biosynthesis of mycothiol.

Bioorg Med Chem 18: 2501-14 (2010)

University of Cape Town

2D 3D TSV

20304657

Synthesis, molecular modeling and biological evaluation of PSB as targeted antibiotics.

Bioorg Med Chem 18: 2447-55 (2010)

Nanjing University

2D 3D TSV

20304656

Chromene-3-carboxamide derivatives discovered from virtual screening as potent inhibitors of the tumour maker, AKR1B10.

Bioorg Med Chem 18: 2485-90 (2010)

Gifu Pharmaceutical University

2D 3D TSV

20304654

Synthesis and pharmacological characterization of a new series of 5,7-disubstituted-[1,2,4]triazolo[1,5-a][1,3,5]triazine derivatives as adenosine receptor antagonists: A preliminary inspection of ligand-receptor recognition process.

Bioorg Med Chem 18: 2524-36 (2010)

National University of Singapore

2D 3D TSV

20304642

Discovery of triarylethanolamine inhibitors of the Kv1.5 potassium channel.

Bioorg Med Chem Lett 20: 2493-6 (2010)

Merck Research Laboratories

2D 3D TSV

20304639

Exploration of amino alcohol derivatives as novel, potent, and highly selective sphingosine-1-phosphate receptor subtype-1 agonists.

Bioorg Med Chem Lett 20: 2520-4 (2010)

Praecis Pharmaceuticals Inc

2D 3D TSV

20304535

Synthesis and antiproliferative activity of indolizine derivatives incorporating a cyclopropylcarbonyl group against Hep-G2 cancer cell line.

Eur J Med Chem 45: 3184-90 (2010)

Nanjing University

2D 3D TSV

20303771

Novel 8-(furan-2-yl)-3-substituted thiazolo [5,4-e][1,2,4] triazolo[1,5-c] pyrimidine-2(3H)-thione derivatives as potential adenosine A(2A) receptor antagonists.

Bioorg Med Chem 18: 2491-500 (2010)

University of Delhi

2D 3D TSV

20303767

Assessing the trypanocidal potential of natural and semi-synthetic diketopiperazines from two deep water marine-derived fungi.

Bioorg Med Chem 18: 2566-74 (2010)

University of California Santa Cruz

2D 3D TSV

20303752

1,7-Disubstituted oxyindoles are potent and selective EP(3) receptor antagonists.

Bioorg Med Chem Lett 20: 2658-64 (2010)

deCODE Chemistry

2D 3D TSV

143

20303751

Conformationally-restricted amino acid analogues bearing a distal sulfonic acid show selective inhibition of system x(c)(-) over the vesicular glutamate transporter.

Bioorg Med Chem Lett 20: 2680-3 (2010)

The University of Montana

2D 3D TSV

20303626

Design and synthesis of 1,4-dihydropyridine derivatives as BACE-1 inhibitors.

Eur J Med Chem 45: 2578-90 (2010)

Institute of Science and Technology

2D 3D TSV

20303263

Novel benzofuran-3-one indole inhibitors of PI3 kinase-alpha and the mammalian target of rapamycin: hit to lead studies.

Bioorg Med Chem Lett 20: 2586-90 (2010)

Wyeth Research

2D 3D TSV

20302302

(1S)-1,5-anhydro-1-[5-(4-ethoxybenzyl)-2-methoxy-4-methylphenyl]-1-thio-D-glucitol (TS-071) is a potent, selective sodium-dependent glucose cotransporter 2 (SGLT2) inhibitor for type 2 diabetes treatment.

J Med Chem 53: 3247-61 (2010)

Taisho Pharmaceutical Co., Ltd

2D 3D TSV

20302301

Structure-activity relationships in toll-like receptor-2 agonistic diacylthioglycerol lipopeptides.

J Med Chem 53: 3198-213 (2010)

University of Kansas

2D 3D TSV

20299227

Synthesis and preliminary pharmacological characterisation of a new class of nitrogen-containing bisphosphonates (N-BPs).

Bioorg Med Chem 18: 2428-38 (2010)

Universit£ degli Studi di Torino

2D 3D TSV

20299220

4,7-Dichloro benzothien-2-yl sulfonylaminomethyl boronic acid: first boronic acid-derived beta-lactamase inhibitor with class A, C, and D activity.

Bioorg Med Chem Lett 20: 2622-4 (2010)

Merck & Co.

2D 3D TSV

20299219

Carbonic anhydrase inhibitors. The beta-carbonic anhydrases from the fungal pathogens Cryptococcus neoformans and Candida albicans are strongly inhibited by substituted-phenyl-1H-indole-5-sulfonamides.

Bioorg Med Chem Lett 20: 2508-11 (2010)

Istanbul University

2D 3D TSV

20299218

Identification of potent, highly constrained CGRP receptor antagonists.

Bioorg Med Chem Lett 20: 2572-6 (2010)

Merck & Co.

2D 3D TSV

20299216

Benzyl prolinate derivatives as novel selective KCC2 blockers.

Bioorg Med Chem Lett 20: 2542-5 (2010)

UCB Pharma SA

2D 3D TSV

20299215

Identification and hit-to-lead exploration of a novel series of histamine H4 receptor inverse agonists.

Bioorg Med Chem Lett 20: 2516-9 (2010)

Argenta Discovery Ltd

2D 3D TSV

20299214

(S)-3-(4-(2-(5-Methyl-2-phenyloxazol-4-yl)ethoxy)phenyl)-2-(piperazin-1-yl) propanoic acid compounds: synthesis and biological evaluation of dual PPARalpha/gamma agonists.

Bioorg Med Chem Lett 20: 2605-8 (2010)

Institute of Pharmacology and Toxicology

2D 3D TSV

20297846

Discovery of novel small molecule orally bioavailable C-X-C chemokine receptor 4 antagonists that are potent inhibitors of T-tropic (X4) HIV-1 replication.

J Med Chem 53: 3376-88 (2010)

Genzyme Corp.

2D 3D TSV

20236826

Derivatives of schisandrin with increased inhibitory potential on prostaglandin E(2) and leukotriene B(4) formation in vitro.

Bioorg Med Chem 18: 2809-15 (2010)

University of Graz

2D 3D TSV

20236824

Design and synthesis of tricyclic sulfones as gamma-secretase inhibitors with greatly reduced Notch toxicity.

Bioorg Med Chem Lett 20: 2591-6 (2010)

Merck Research Laboratories

2D 3D TSV

20236823

Synthesis and biological evaluation of piperazinyl heterocyclic antagonists of the gonadotropin releasing hormone (GnRH) receptor.

Bioorg Med Chem Lett 20: 2512-5 (2010)

Wyeth Research

2D 3D TSV

20236734

A computational study of the binding of 3-(arylidene) anabaseines to two major brain nicotinic acetylcholine receptors and to the acetylcholine binding protein.

Eur J Med Chem 45: 2433-46 (2010)

University of Florida

2D 3D TSV

186

20235752

Effects of some drugs on human erythrocyte 6-phosphogluconate dehydrogenase: an in vitro study.

J Enzyme Inhib Med Chem 25: 476-9 (2010)

Ataturk University

2D 3D TSV

20235688

Design, synthesis, and urease inhibition studies of some 1,3,4-oxadiazoles and 1,2,4-triazoles derived from mandelic acid.

J Enzyme Inhib Med Chem 25: 572-6 (2010)

Quaid-i-Azam University

2D 3D TSV

20233015

Nostotrebin 6, a bis(cyclopentenedione) with cholinesterase inhibitory activity isolated from Nostoc sp. str. Lukesov� 27/97.

J Enzyme Inhib Med Chem 25: 414-20 (2010)

Brno University of Technology

2D 3D TSV

20232824

Synthesis and biological evaluation of 8-oxoadenine derivatives as toll-like receptor 7 agonists introducing the antedrug concept.

J Med Chem 53: 2964-72 (2010)

Dainippon Sumitomo Pharma Co., Ltd

2D 3D TSV

20231099

Synthesis of new beta-1-C-alkylated imino-L-iditols: A comparative study of their activity as beta-glucocerebrosidase inhibitors.

Bioorg Med Chem 18: 2645-50 (2010)

Universit£ d'Orl£ans & CNRS

2D 3D TSV

20231096

Discovery and SAR of potent, orally available 2,8-diaryl-quinoxalines as a new class of JAK2 inhibitors.

Bioorg Med Chem Lett 20: 2609-13 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20231095

Design, synthesis and in vitro/in vivo evaluation of orally bioavailable prodrugs of a catechol-O-methyltransferase inhibitor.

Bioorg Med Chem Lett 20: 2614-6 (2010)

University of Eastern Finland

2D 3D TSV

20227881

Discovery of 2-ureidophenyltriazines bearing bridged morpholines as potent and selective ATP-competitive mTOR inhibitors.

Bioorg Med Chem Lett 20: 2644-7 (2010)

Wyeth Research

2D 3D TSV

20227880

Selectivity profiling of novel indene H(1)-antihistamines for the treatment of insomnia.

Bioorg Med Chem Lett 20: 2629-33 (2010)

Neurocrine Biosciences Inc

2D 3D TSV

144

20227878

Synthesis of substituted N-[3-(3-methoxyphenyl)propyl] amides as highly potent MT(2)-selective melatonin ligands.

Bioorg Med Chem Lett 20: 2582-5 (2010)

Hong Kong University of Science and Technology

2D 3D TSV

20227877

2,5-Disubstituted pyridines as potent GPR119 agonists.

Bioorg Med Chem Lett 20: 2577-81 (2010)

GlaxoSmithKline

2D 3D TSV

20227876

Identification of SD-0006, a potent diaryl pyrazole inhibitor of p38 MAP kinase.

Bioorg Med Chem Lett 20: 2634-8 (2010)

Pfizer Inc

2D 3D TSV

20226658

Effect of essential oils, such as raspberry ketone and its derivatives, on antiandrogenic activity based on in vitro reporter gene assay.

Bioorg Med Chem Lett 20: 2111-4 (2010)

Meijo University

2D 3D TSV

20223664

Triazines incorporating (R)-3-methylmorpholine are potent inhibitors of the mammalian target of rapamycin (mTOR) with selectivity over PI3Kalpha.

Bioorg Med Chem Lett 20: 2654-7 (2010)

Wyeth Research

2D 3D TSV

20223663

2-Arylureidophenyl-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)triazines as highly potent and selective ATP competitive mTOR inhibitors: optimization of human microsomal stability.

Bioorg Med Chem Lett 20: 2648-53 (2010)

Wyeth Research

2D 3D TSV

Synthesis and biological evaluation of 3-aminopyrrolidine derivatives as CC chemokine receptor 2 antagonists.

20223662

Bioorg Med Chem Lett 20: 2099-102 (2010)

Yangji Chemicals

2D 3D TSV

174

20223661

Novel pyrrolyl 2-aminopyridines as potent and selective human beta-secretase (BACE1) inhibitors.

Bioorg Med Chem Lett 20: 2068-73 (2010)

Wyeth

2D 3D TSV

20223566

Inside HDAC with HDAC inhibitors.

Eur J Med Chem 45: 2095-116 (2010)

Universit£ de Poitiers

2D 3D TSV

20222765

Urease inhibitors from Hypericum oblongifolium WALL.

J Enzyme Inhib Med Chem 25: 296-9 (2010)

University of Peshawar

2D 3D TSV

20222761

Semisynthesis of alpha-methyl-gamma-lactones and in vitro evaluation of their activity on protein farnesyltransferase.

J Enzyme Inhib Med Chem 25: 172-9 (2010)

UFR des Sciences Pharmaceutiques et Ing�nierie de la Sant�

2D 3D TSV

20222760

Quinazoline-urea, new protein kinase inhibitors in treatment of prostate cancer.

J Enzyme Inhib Med Chem 25: 158-71 (2010)

Universit� Lille Nord de France

2D 3D TSV

20222733

Synthesis and biological evaluation of 4-anilinoquinolines as potent inhibitors of epidermal growth factor receptor.

J Med Chem 53: 2892-901 (2010)

Chemical Genomics Centre of the Max Planck Society

2D 3D TSV

20222714

Complexity in influenza virus targeted drug design: interaction with human sialidases.

J Med Chem 53: 2998-3002 (2010)

PF-IMSS-KEK-SBRC, Ibaraki 305-0801, Japan.

2D 3D TSV

20219372

Synthesis and SAR of derivatives based on 2-biarylethylimidazole as bombesin receptor subtype-3 (BRS-3) agonists for the treatment of obesity.

Bioorg Med Chem Lett 20: 2074-7 (2010)

Merck Research Laboratories

2D 3D TSV

114

20219371

Discovery of a novel selective PPARgamma modulator from (-)-Cercosporamide derivatives.

Bioorg Med Chem Lett 20: 2095-8 (2010)

Daiichi Sankyo Co., Ltd

2D 3D TSV

20219369

Toward the development of potent and selective bisubstrate inhibitors of protein arginine methyltransferases.

Bioorg Med Chem Lett 20: 2103-5 (2010)

University Park

2D 3D TSV

20219367

Discovery of small molecule isozyme non-specific inhibitors of mammalian acetyl-CoA carboxylase 1 and 2.

Bioorg Med Chem Lett 20: 2383-8 (2010)

Pfizer Inc

2D 3D TSV

20219271

Azetidine derivatives as novel gamma-aminobutyric acid uptake inhibitors: synthesis, biological evaluation, and structure-activity relationship.

Eur J Med Chem 45: 2453-66 (2010)

Zentrum f£r Pharmaforschung

2D 3D TSV

20218625

"Carba"-analogues of fentanyl are opioid receptor agonists.

J Med Chem 53: 2875-81 (2010)

Clinical Research Institute of Montreal

2D 3D TSV

20218624

Synthesis and in vitro biological evaluation of carbonyl group-containing inhibitors of vesicular acetylcholine transporter.

J Med Chem 53: 2825-35 (2010)

University of Minnesota

2D 3D TSV

20218623

Emerging targets in osteoporosis disease modification.

J Med Chem 53: 4332-53 (2010)

Amgen Inc

2D 3D TSV

20218622

3'-[4-Aryl-(1,2,3-triazol-1-yl)]-3'-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase.

J Med Chem 53: 2902-12 (2010)

Ghent University

2D 3D TSV

20218621

Discovery of an oxybenzylglycine based peroxisome proliferator activated receptor alpha selective agonist 2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)methoxy)benzyl)(methoxycarbonyl)amino)acetic acid (BMS-687453).

J Med Chem 53: 2854-64 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

131

20218620

A virtual screening hit reveals new possibilities for developing group III metabotropic glutamate receptor agonists.

J Med Chem 53: 2797-813 (2010)

Universite Paris Descartes

2D 3D TSV

20218619

Discovery and evaluation of 7-alkyl-1,5-bis-aryl-pyrazolopyridinones as highly potent, selective, and orally efficacious inhibitors of p38alpha mitogen-activated protein kinase.

J Med Chem 53: 2973-85 (2010)

Amgen Inc

2D 3D TSV

20211561

Inhibition studies of a beta-carbonic anhydrase from Brucella suis with a series of water soluble glycosyl sulfanilamides.

Bioorg Med Chem Lett 20: 2178-82 (2010)

Universit£ degli Studi di Firenze

2D 3D TSV

20209559

Structural investigation of the binding of 5-substituted swainsonine analogues to Golgi alpha-mannosidase II.

Chembiochem 11: 673-80 (2010)

University of Toronto

2D 3D TSV

20207541

Discovery of a spiroindane based compound as a potent, selective, orally bioavailable melanocortin subtype-4 receptor agonist.

Bioorg Med Chem Lett 20: 2106-10 (2010)

Merck Research Laboratories

2D 3D TSV

20207539

Synthesis of cycloalkane-annelated 3-phenylsulfonyl-pyrazolo[1,5-a]pyrimidines and their evaluation as 5-HT6 receptor antagonists.

Bioorg Med Chem Lett 20: 2133-6 (2010)

Chemical Diversity Research Institute

2D 3D TSV

20207537

Novel N-substituted benzimidazole CXCR4 antagonists as potential anti-HIV agents.

Bioorg Med Chem Lett 20: 2125-8 (2010)

GlaxoSmithKline

2D 3D TSV

20207151

Novel acyl coenzyme A (CoA): diacylglycerol acyltransferase-1 inhibitors: synthesis and biological activities of diacylethylenediamine derivatives.

Bioorg Med Chem 18: 2785-95 (2010)

Takeda Pharmaceutical Co., Ltd

2D 3D TSV

20207146

Purine derivatives as potent gamma-secretase modulators.

Bioorg Med Chem Lett 20: 2279-82 (2010)

Merck Research Laboratories

2D 3D TSV

20207142

Oxime esters as selective, covalent inhibitors of the serine hydrolase retinoblastoma-binding protein 9 (RBBP9).

Bioorg Med Chem Lett 20: 2254-8 (2010)

The Scripps Research Institute

2D 3D TSV

20207141

Discovery of novel (S)-alpha-phenyl-gamma-amino butanamide containing CCR5 antagonists via functionality inversion approach.

Bioorg Med Chem Lett 20: 2219-23 (2010)

Institute of Materia Medica

2D 3D TSV

20207139

Structure-based design of novel human Pin1 inhibitors (II).

Bioorg Med Chem Lett 20: 2210-4 (2010)

Pfizer Inc

2D 3D TSV

20207138

Design and synthesis of conformationally constrained N,N-disubstituted 1,4-diazepanes as potent orexin receptor antagonists.

Bioorg Med Chem Lett 20: 2311-5 (2010)

Merck Research Laboratories

2D 3D TSV

20207136

Discovery of a novel sulfonamide-pyrazolopiperidine series as potent and efficacious gamma-secretase inhibitors.

Bioorg Med Chem Lett 20: 2195-9 (2010)

Elan Pharmaceuticals

2D 3D TSV

20206532

Structure-activity relationship of novel DAPK inhibitors identified by structure-based virtual screening.

Bioorg Med Chem 18: 2728-34 (2010)

PharmaDesign Inc

2D 3D TSV

20206513

Design and optimization of a substituted amino propanamide series of renin inhibitors for the treatment of hypertension.

Bioorg Med Chem Lett 20: 2204-9 (2010)

Merck Frosst Centre for Therapeutic Research

2D 3D TSV

20206015

Synthesis, molecular modeling and biological evaluation of novel tadalafil analogues as phosphodiesterase 5 and colon tumor cell growth inhibitors, new stereochemical perspective.

Eur J Med Chem 45: 1278-86 (2010)

German University in Cairo

2D 3D TSV

20205394

Conformational refinement of hydroxamate-based histone deacetylase inhibitors and exploration of 3-piperidin-3-ylindole analogues of dacinostat (LAQ824).

J Med Chem 53: 2952-63 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20202853

Synthesis of theophylline derivatives and study of their activity as antagonists at adenosine receptors.

Bioorg Med Chem 18: 2081-8 (2010)

Universidad de M£laga

2D 3D TSV

20202843

Orally active and brain permeable proline amides as highly selective 5HT2c agonists for the treatment of obesity.

Bioorg Med Chem Lett 20: 2365-9 (2010)

Pfizer Inc

2D 3D TSV

20202842

Pyridinyl aminohydantoins as small molecule BACE1 inhibitors.

Bioorg Med Chem Lett 20: 2326-9 (2010)

Wyeth Research

2D 3D TSV

20202841

Synthesis and SAR of N-(4-(4-alklylpiperazin-1-yl)phenyl)benzamides as muscarinic acetylcholine receptor subtype 1 (M1) anatgonists.

Bioorg Med Chem Lett 20: 2174-7 (2010)

Vanderbilt University Medical Center

2D 3D TSV

20202839

Synthesis and biological evaluation of N-difluoromethyl-1,2-dihydropyrid-2-one acetic acid regioisomers: dual inhibitors of cyclooxygenases and 5-lipoxygenase.

Bioorg Med Chem Lett 20: 2168-73 (2010)

University of Alberta

2D 3D TSV

20202838

Identification of pyridazino[4,5-b]indolizines as selective PDE4B inhibitors.

Bioorg Med Chem Lett 20: 2163-7 (2010)

Pfizer Inc

2D 3D TSV

20202837

The identification a novel, selective, non-steroidal, functional glucocorticoid receptor antagonist.

Bioorg Med Chem Lett 20: 2340-3 (2010)

Medicines Research Centre

2D 3D TSV

20202722

Carbonic anhydrase inhibitors: synthesis and inhibition of the human cytosolic isozymes I and II and transmembrane isozymes IX, XII (cancer-associated) and XIV with 4-substituted 3-pyridinesulfonamides.

Eur J Med Chem 45: 2396-404 (2010)

Medical University of Gdansk

2D 3D TSV

138

20201556

Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases.

J Med Chem 53: 2913-26 (2010)

Griffith University

2D 3D TSV

174

20199087

Development of novel, highly potent inhibitors of V-RAF murine sarcoma viral oncogene homologue B1 (BRAF): increasing cellular potency through optimization of a distal heteroaromatic group.

J Med Chem 53: 2741-56 (2010)

The Institute of Cancer Research

2D 3D TSV

20196613

Design, synthesis, and biological evaluation of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one, a potent, orally active, brain penetrant inhibitor of phosphodiesterase 5 (PDE5).

J Med Chem 53: 2656-60 (2010)

Pfizer Inc

2D 3D TSV

20194704

Affinity of ceftaroline and other beta-lactams for penicillin-binding proteins from Staphylococcus aureus and Streptococcus pneumoniae.

Antimicrob Agents Chemother 54: 1670-7 (2010)

Hershey Medical Center

2D 3D TSV

20192270

Structure-activity relationship of (N)-Methanocarba phosphonate analogues of 5'-AMP as cardioprotective agents acting through a cardiac P2X receptor.

J Med Chem 53: 2562-76 (2010)

National Institutes of Diabetes and Digestive and Kidney Diseases

2D 3D TSV

20192242

Gneyulins A and B, stilbene trimers, and noidesols A and B, dihydroflavonol-C-glucosides, from the bark of Gnetum gnemonoides.

J Nat Prod 73: 763-7 (2010)

Hoshi University

2D 3D TSV

20192225

Synthesis and QSAR of quinazoline sulfonamides as highly potent human histamine H4 receptor inverse agonists.

J Med Chem 53: 2390-400 (2010)

Griffin Discoveries BV

2D 3D TSV

20192224

Fragment-based deconstruction of Bcl-xL inhibitors.

J Med Chem 53: 2577-88 (2010)

Universite de Lyon

2D 3D TSV

20189816

Design and synthesis of novel series of pyrrole based chemotypes and their evaluation as selective aldose reductase inhibitors. A case of bioisosterism between a carboxylic acid moiety and that of a tetrazole.

Bioorg Med Chem 18: 2107-14 (2010)

Aristotle University of Thessaloniki

2D 3D TSV

20189815

Synthesis and in vitro biological evaluation of carbon-11-labeled quinoline derivatives as new candidate PET radioligands for cannabinoid CB2 receptor imaging.

Bioorg Med Chem 18: 2099-106 (2010)

Indiana University School of Medicine

2D 3D TSV

20189807

Design of potent and selective GSK3beta inhibitors with acceptable safety profile and pharmacokinetics.

Bioorg Med Chem Lett 20: 2344-9 (2010)

Sanofi-Aventis

2D 3D TSV

20189693

Synthesis of some 5-phenylisoxazole-3-carboxylic acid derivatives as potent xanthine oxidase inhibitors.

Eur J Med Chem 45: 2663-70 (2010)

Shenyang Pharmaceutical University

2D 3D TSV

20189404

Alstiphyllanines E-H, picraline and ajmaline-type alkaloids from Alstonia macrophylla inhibiting sodium glucose cotransporter.

Bioorg Med Chem 18: 2152-8 (2010)

Hoshi University

2D 3D TSV

20189401

Structural-based design and synthesis of novel 9-deazaguanine derivatives having a phosphate mimic as multi-substrate analogue inhibitors for mammalian PNPs.

Bioorg Med Chem 18: 2275-84 (2010)

Tokyo University of Pharmacy and Life Sciences

2D 3D TSV

20189400

Synthesis and kinetic analysis of some phosphonate analogs of cyclophostin as inhibitors of human acetylcholinesterase.

Bioorg Med Chem 18: 2265-74 (2010)

University of Missouri St. Louis

2D 3D TSV

20189399

Melanogenesis inhibitors from the desert plant Anastatica hierochuntica in B16 melanoma cells.

Bioorg Med Chem 18: 2337-45 (2010)

Kyoto Pharmaceutical University

2D 3D TSV

20189387

Identification of amide bioisosteres of triazole oxytocin antagonists.

Bioorg Med Chem Lett 20: 2224-8 (2010)

Pfizer Inc

2D 3D TSV

20189386

Potent and selective inhibition of human cytochrome P450 3A4 by seco-pancratistatin structural analogs.

Bioorg Med Chem Lett 20: 2335-9 (2010)

McMaster University

2D 3D TSV

20189385

Synthesis and evaluation of tricyclic derivatives containing a non-aromatic amide as inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1).

Bioorg Med Chem Lett 20: 2250-3 (2010)

Jeil Pharmaceutical Co., Ltd

2D 3D TSV

20189383

Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.

Bioorg Med Chem Lett 20: 2229-33 (2010)

Genentech

2D 3D TSV

20189382

Inhibition of eEF2-K by thieno[2,3-b]pyridine analogues.

Bioorg Med Chem Lett 20: 2283-6 (2010)

Kyowa Hakko Kogyo Co., Ltd

2D 3D TSV

20189109

Affinity reagents that target a specific inactive form of protein kinases.

Chem Biol 17: 195-206 (2010)

University of Washington

2D 3D TSV

20189103

Discovery of dual inhibitors of the immune cell PI3Ks p110delta and p110gamma: a prototype for new anti-inflammatory drugs.

Chem Biol 17: 123-34 (2010)

University of California San Francisco

2D 3D TSV

20188579

Design, synthesis and evaluation of (E)-alpha-benzylthio chalcones as novel inhibitors of BCR-ABL kinase.

Bioorg Med Chem 18: 2317-26 (2010)

Temple University School of Medicine

2D 3D TSV

20188577

In silico search for multi-target anti-inflammatories in Chinese herbs and formulas.

Bioorg Med Chem 18: 2204-18 (2010)

King's College London

2D 3D TSV

20188574

2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists.

Bioorg Med Chem 18: 2195-203 (2010)

University of Bonn

2D 3D TSV

141

20188554

Stereochemistry-activity relationship of orally active tetralin S1P agonist prodrugs.

Bioorg Med Chem Lett 20: 2264-9 (2010)

Biogen Idec Inc

2D 3D TSV

20188553

Tetrahydroindolizinone NK1 antagonists.

Bioorg Med Chem Lett 20: 2354-8 (2010)

Merck Research Laboratories

2D 3D TSV

20188552

Discovery and optimization of 2-(4-substituted-pyrrolo[2,3-b]pyridin-3-yl)methylene-4-hydroxybenzofuran-3(2H)-ones as potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).

Bioorg Med Chem Lett 20: 2321-5 (2010)

Wyeth Research

2D 3D TSV

20188551

4-Substituted-7-azaindoles bearing a ureidobenzofuranone moiety as potent and selective, ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR).

Bioorg Med Chem Lett 20: 2259-63 (2010)

Wyeth Research

2D 3D TSV

20188550

Reduction of hERG inhibitory activity in the 4-piperidinyl urea series of H3 antagonists.

Bioorg Med Chem Lett 20: 2359-64 (2010)

Merck Research Laboratories

2D 3D TSV

20188547

Novel benzothiophene H1-antihistamines for the treatment of insomnia.

Bioorg Med Chem Lett 20: 2316-20 (2010)

Neurocrine Biosciences Inc

2D 3D TSV

152

20188543

Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors.

Bioorg Med Chem Lett 20: 2379-82 (2010)

Johnson & Johnson Pharmaceutical Research & Development

2D 3D TSV

20187655

Development of GlcNAc-inspired iminocyclitiols as potent and selective N-acetyl-beta-hexosaminidase inhibitors.

ACS Chem Biol 5: 489-97 (2010)

Academia Sinica

2D 3D TSV

20185318

Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids.

Bioorg Med Chem 18: 2159-64 (2010)

Universit£ degli Studi di Firenze

2D 3D TSV

132

20185317

Exploration of inhibitors for diaminopimelate aminotransferase.

Bioorg Med Chem 18: 2141-2151 (2010)

University of Alberta

2D 3D TSV

20185312

Design, synthesis and evaluation of constrained tetrahydroimidazopyrimidine derivatives as antagonists of corticotropin-releasing factor type 1 receptor (CRF1R).

Bioorg Med Chem Lett 20: 1905-9 (2010)

Bristol-Myers Squibb Research & Development

2D 3D TSV

20185311

Discovery of a new series of 5-HT1A receptor agonists.

Bioorg Med Chem Lett 20: 2017-20 (2010)

Universit£ degli Studi di Modena e Reggio Emilia

2D 3D TSV

20185309

Benzimidazole Thumb Pocket I finger-loop inhibitors of HCV NS5B polymerase: improved drug-like properties through C-2 SAR in three sub-series.

Bioorg Med Chem Lett 20: 1825-9 (2010)

Boehringer Ingelheim (Canada) Ltd

2D 3D TSV

20185308

Fragment screening of inhibitors for MIF tautomerase reveals a cryptic surface binding site.

Bioorg Med Chem Lett 20: 1821-4 (2010)

Sanofi-Aventis

2D 3D TSV

20185305

Discovery of novel and potent benzhydryl-tropane trypanocides highly selective for Trypanosoma cruzi.

Bioorg Med Chem Lett 20: 1816-8 (2010)

Institute of Medical Research

2D 3D TSV

20184336

Phenolic constituents of the aerial parts of Cimicifuga simplex and Cimicifuga japonica.

J Nat Prod 73: 609-12 (2010)

University of Shizuoka

2D 3D TSV

20184326

Discovery of a biaryl cyclohexene carboxylic acid (MK-6892): a potent and selective high affinity niacin receptor full agonist with reduced flushing profiles in animals as a preclinical candidate.

J Med Chem 53: 2666-70 (2010)

Merck Research Laboratories

2D 3D TSV

20181486

Novel C-aryl glucoside SGLT2 inhibitors as potential antidiabetic agents: 1,3,4-Thiadiazolylmethylphenyl glucoside congeners.

Bioorg Med Chem 18: 2178-94 (2010)

Green Cross Corporation

2D 3D TSV

20181484

Differential binding of phenothiazine urea derivatives to wild-type human cholinesterases and butyrylcholinesterase mutants.

Bioorg Med Chem 18: 2232-44 (2010)

Dalhousie University

2D 3D TSV

20181479

Heterocyclic acetamide and benzamide derivatives as potent and selective beta3-adrenergic receptor agonists with improved rodent pharmacokinetic profiles.

Bioorg Med Chem Lett 20: 1895-9 (2010)

Merck Research Laboratories

2D 3D TSV

177

20180564

Dopamine receptor ligands. Part 18: (1) modification of the structural skeleton of indolobenzazecine-type dopamine receptor antagonists.

J Med Chem 53: 2646-50 (2010)

Friedrich-Schiller-Universit£t Jena

2D 3D TSV

20180542

JBIR-22, an inhibitor for protein-protein interaction of the homodimer of proteasome assembly factor 3.

J Nat Prod 73: 628-31 (2010)

Biomedicinal Information Research Center (BIRC)

2D 3D TSV

20180536

Potent arylsulfonamide inhibitors of tumor necrosis factor-alpha converting enzyme able to reduce activated leukocyte cell adhesion molecule shedding in cancer cell models.

J Med Chem 53: 2622-35 (2010)

Universit£ di Pisa

2D 3D TSV

128

20180533

Membrane permeable cyclic peptidyl inhibitors against human Peptidylprolyl Isomerase Pin1.

J Med Chem 53: 2494-501 (2010)

The Ohio State University

2D 3D TSV

20178322

Discovery of dipeptides with high affinity to the specific binding site for substance P1-7.

J Med Chem 53: 2383-9 (2010)

Uppsala University

2D 3D TSV

20178321

Discovery and SAR of thiazolidine-2,4-dione analogues as insulin-like growth factor-1 receptor (IGF-1R) inhibitors via hierarchical virtual screening.

J Med Chem 53: 2661-5 (2010)

Chinese Academy of Sciences

2D 3D TSV

20176490

Acetylcholinesterase inhibitors from the toadstool Cortinarius infractus.

Bioorg Med Chem 18: 2173-7 (2010)

Institute of Plant Biochemistry

2D 3D TSV

20176484

3D-QSAR and docking studies on transforming growth factor (TGF)-beta receptor 1 antagonists.

Bioorg Med Chem Lett 20: 1918-23 (2010)

Northeastern Ohio Universities Colleges of Medicine and Pharmacy

2D 3D TSV

20176482

SAR of tertiary carbinamine derived BACE1 inhibitors: role of aspartate ligand amine pKa in enzyme inhibition.

Bioorg Med Chem Lett 20: 1885-9 (2010)

Merck Research Laboratories

2D 3D TSV

20176481

Evaluation of a 4-aminopiperidine replacement in several series of CCR5 antagonists.

Bioorg Med Chem Lett 20: 1830-3 (2010)

Roche Palo Alto

2D 3D TSV

20176478

Synthesis and structure-activity relationships of N3-pyridylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists.

Bioorg Med Chem Lett 20: 1890-4 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

20175517

A novel insulin secretagogue based on a dinucleoside polyphosphate scaffold.

J Med Chem 53: 2472-81 (2010)

Bar-Ilan University

2D 3D TSV

20172734

A concise synthesis of 1,4-dihydro-[1,4]diazepine-5,7-dione, a novel 7-TM receptor ligand core structure with melanocortin receptor agonist activity.

Bioorg Med Chem 18: 1822-33 (2010)

GlaxoSmithKline

2D 3D TSV

20172725

Discovery and SAR of hydantoin TACE inhibitors.

Bioorg Med Chem Lett 20: 1877-80 (2010)

Merck Research Laboratories

2D 3D TSV

20172721

Identification of a urea bioisostere of a triazole oxytocin antagonist.

Bioorg Med Chem Lett 20: 1851-3 (2010)

Pfizer Inc

2D 3D TSV

20172718

Design of two new chemotypes for inhibiting the Janus kinase 2 by scaffold morphing.

Bioorg Med Chem Lett 20: 1858-60 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20172717

Structure-based design and synthesis of novel P2/P3 modified, non-peptidic beta-secretase (BACE-1) inhibitors.

Bioorg Med Chem Lett 20: 1924-7 (2010)

Universit£ de Montr£al

2D 3D TSV

20172716

Ultrasmall particle of iron oxide--RGD peptidomimetic conjugate: synthesis and characterisation.

Bioorg Med Chem Lett 20: 1861-5 (2010)

Universit£ Catholique de Louvain

2D 3D TSV

20171895

Design, synthesis and preliminary activity assay of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid derivatives as novel Histone deacetylases (HDACs) inhibitors.

Bioorg Med Chem 18: 1761-72 (2010)

Shandong University

2D 3D TSV

20171894

Targeting Alzheimer's disease: Novel indanone hybrids bearing a pharmacophoric fragment of AP2238.

Bioorg Med Chem 18: 1749-60 (2010)

University of Bologna

2D 3D TSV

20171887

Synthesis of fluorinated C-mannopeptides as sialyl Lewisx mimics for E- and P-selectin inhibition.

Bioorg Med Chem Lett 20: 1957-60 (2010)

Universit£ et INSA de Rouen

2D 3D TSV

20171098

Rigidified 2-aminopyrimidines as histamine H4 receptor antagonists: effects of substitution about the rigidifying ring.

Bioorg Med Chem Lett 20: 1900-4 (2010)

Abbott Laboratories

2D 3D TSV

20171097

Discovery and SAR of novel pyrazole-based thioethers as cathepsin S inhibitors. Part 2: Modification of P3, P4, and P5 regions.

Bioorg Med Chem Lett 20: 2375-8 (2010)

Johnson & Johnson Pharmaceutical Research & Development LLC

2D 3D TSV

20170190

Synthesis, biological activity, and molecular modeling studies of 1H-1,2,3-triazole derivatives of carbohydrates as alpha-glucosidases inhibitors.

J Med Chem 53: 2364-75 (2010)

Universidade Federal do Rio de Janeiro

2D 3D TSV

20170186

1-(Aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes and 6-(aryl)-6-[alkoxyalkyl]-3-azabicyclo[3.1.0]hexanes: a new series of potent and selective triple reuptake inhibitors.

J Med Chem 53: 2534-51 (2010)

GlaxoSmithKline

2D 3D TSV

20170165

Noncovalent tripeptidyl benzyl- and cyclohexyl-amine inhibitors of the cysteine protease caspase-1.

J Med Chem 53: 2651-5 (2010)

The University of Queensland

2D 3D TSV

20170163

Identification of 2-anilino-9-methoxy-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-ones as dual PLK1/VEGF-R2 kinase inhibitor chemotypes by structure-based lead generation.

J Med Chem 53: 2433-42 (2010)

Technische Universitat Braunschweig

2D 3D TSV

157

20170099

5-Cyclic amine-3-arylsulfonylindazoles as novel 5-HT6 receptor antagonists.

J Med Chem 53: 2521-7 (2010)

Wyeth Research

2D 3D TSV

20170098

Salicylic acid based small molecule inhibitor for the oncogenic Src homology-2 domain containing protein tyrosine phosphatase-2 (SHP2).

J Med Chem 53: 2482-93 (2010)

Indiana University School of Medicine

2D 3D TSV

20167488

The design and development of 2-aryl-2-hydroxy ethylamine substituted 1H,7H-pyrido[1,2,3-de]quinoxaline-6-carboxamides as inhibitors of human cytomegalovirus polymerase.

Bioorg Med Chem Lett 20: 1994-2000 (2010)

Pfizer Inc

2D 3D TSV

20167486

Design and evaluation of Trypanosoma brucei metacaspase inhibitors.

Bioorg Med Chem Lett 20: 2001-6 (2010)

University of Antwerp

2D 3D TSV

20167484

The synthesis and angiotensin converting enzyme (ACE) inhibitory activity of chalcones and their pyrazole derivatives.

Bioorg Med Chem Lett 20: 1990-3 (2010)

University of Calabria

2D 3D TSV

20167483

Discovery of substituted biphenyl imidazoles as potent, bioavailable bombesin receptor subtype-3 agonists.

Bioorg Med Chem Lett 20: 1913-7 (2010)

Merck Research Laboratories

2D 3D TSV

20167482

SARS-CoV 3CLpro inhibitory effects of quinone-methide triterpenes from Tripterygium regelii.

Bioorg Med Chem Lett 20: 1873-6 (2010)

Korea Research Institute of Bioscience and Biotechnology

2D 3D TSV

20167481

Rational design of potent GSK3beta inhibitors with selectivity for Cdk1 and Cdk2.

Bioorg Med Chem Lett 20: 1985-9 (2010)

Sanofi-Aventis

2D 3D TSV

20167479

SelSA, selenium analogs of SAHA as potent histone deacetylase inhibitors.

Bioorg Med Chem Lett 20: 2044-7 (2010)

Pennsylvania State Hershey College of Medicine

2D 3D TSV

20166697

Bis(morpholino-1,3,5-triazine) derivatives: potent adenosine 5'-triphosphate competitive phosphatidylinositol-3-kinase/mammalian target of rapamycin inhibitors: discovery of compound 26 (PKI-587), a highly efficacious dual inhibitor.

J Med Chem 53: 2636-45 (2010)

Wyeth Research

2D 3D TSV

20166671

Selectively nonselective kinase inhibition: striking the right balance.

J Med Chem 53: 1413-37 (2010)

Schering-Plough

2D 3D TSV

20163895

Synthesis of new pyrrolo[2,3-d]pyrimidine derivatives and evaluation of their activities against human colon cancer cell lines.

Eur J Med Chem 45: 1453-8 (2010)

University College of Pharmaceutical Sciences

2D 3D TSV

20163116

The discovery of 4-{1-[({2,5-dimethyl-4-[4-(trifluoromethyl)benzyl]-3-thienyl}carbonyl)amino]cyclopropyl}benzoic acid (MK-2894), a potent and selective prostaglandin E2 subtype 4 receptor antagonist.

J Med Chem 53: 2227-38 (2010)

Merck Frosst Centre for Therapeutic Research

2D 3D TSV

116

20158243

Gymnochromes E and F, cytotoxic phenanthroperylenequinones from a deep-water crinoid, Holopus rangii.

J Nat Prod 73: 712-5 (2010)

Florida Atlantic University

2D 3D TSV

20158205

Hybrid molecules from xanomeline and tacrine: enhanced tacrine actions on cholinesterases and muscarinic M1 receptors.

J Med Chem 53: 2094-103 (2010)

China Pharmaceutical University

2D 3D TSV

20158204

Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for smoking cessation.

J Med Chem 53: 2204-14 (2010)

Research Triangle Institute

2D 3D TSV

136

20158203

Structural insights into the design of small molecule inhibitors that selectively antagonize Mcl-1.

J Med Chem 53: 2314-8 (2010)

Institute of Chemical and Engineering Sciences

2D 3D TSV

20158191

Structural basis for platelet antiaggregation by angiotensin II type 1 receptor antagonist losartan (DuP-753) via glycoprotein VI.

J Med Chem 53: 2087-93 (2010)

Japan Biological Informatics Consortium (JBIC)

2D 3D TSV

20158186

1-Alkyl-4-phenyl-6-alkoxy-1H-quinazolin-2-ones: a novel series of potent calcium-sensing receptor antagonists.

J Med Chem 53: 2250-63 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20156689

Colony stimulating factor-1 receptor as a target for small molecule inhibitors.

Bioorg Med Chem 18: 1789-97 (2010)

University of Newcastle

2D 3D TSV

20156687

Chemical lead optimization of a pan Gq mAChR M1, M3, M5 positive allosteric modulator (PAM) lead. Part II: development of a potent and highly selective M1 PAM.

Bioorg Med Chem Lett 20: 1972-5 (2010)

Vanderbilt University Medical Center

2D 3D TSV

20155918

Synthesis and biological evaluation of botulinum neurotoxin a protease inhibitors.

J Med Chem 53: 2264-76 (2010)

Microbiotix Inc

2D 3D TSV

20155917

Synthesis and evaluation of a set of 4-phenylpiperidines and 4-phenylpiperazines as D2 receptor ligands and the discovery of the dopaminergic stabilizer 4-[3-(methylsulfonyl)phenyl]-1-propylpiperidine (huntexil, pridopidine, ACR16).

J Med Chem 53: 2510-20 (2010)

NeuroSearch Sweden AB

2D 3D TSV

20154666

Turning enzymes ON with small molecules.

Nat Chem Biol 6: 179-188 (2010)

University of California

2D 3D TSV

20153964

Substituted fused bicyclic pyrrolizinones as potent, orally bioavailable hNK1 antagonists.

Bioorg Med Chem Lett 20: 2007-12 (2010)

Merck Research Laboratories

2D 3D TSV

20153963

Synthesis and evaluation of 2-pyridylbenzothiazole, 2-pyridylbenzoxazole and 2-pyridylbenzofuran derivatives as 11C-PET imaging agents for beta-amyloid plaques.

Bioorg Med Chem Lett 20: 1976-80 (2010)

AstraZeneca

2D 3D TSV

20153655

Selective benzimidazole inhibitors of the antigen receptor-mediated NF-kappaB activation pathway.

Bioorg Med Chem 18: 1918-24 (2010)

Human BioMolecular Research Institute

2D 3D TSV

20153652

Searching for multi-target antipsychotics: Discovery of orally active heterocyclic N-phenylpiperazine ligands of D2-like and 5-HT1A receptors.

Bioorg Med Chem 18: 1925-35 (2010)

Universidade Federal do Rio Grande do Sul

2D 3D TSV

20153651

Novel thiophene derivatives as PTP1B inhibitors with selectivity and cellular activity.

Bioorg Med Chem 18: 1773-82 (2010)

Chinese Academy of Sciences

2D 3D TSV

20153648

Discovery and SAR of novel pyrazole-based thioethers as cathepsin S inhibitors: part 1.

Bioorg Med Chem Lett 20: 2370-4 (2010)

Johnson & Johnson Pharmaceutical Research & Development

2D 3D TSV

20153647

The identification of a selective dopamine D2 partial agonist, D3 antagonist displaying high levels of brain exposure.

Bioorg Med Chem Lett 20: 2013-6 (2010)

GlaxoSmithKline

2D 3D TSV

20153646

Indirubin derivatives as potent FLT3 inhibitors with anti-proliferative activity of acute myeloid leukemic cells.

Bioorg Med Chem Lett 20: 2033-7 (2010)

Institute of Science and Technology

2D 3D TSV

20153645

Discovery of novel inhibitors for DHODH via virtual screening and X-ray crystallographic structures.

Bioorg Med Chem Lett 20: 1981-4 (2010)

Sanofi-Aventis

2D 3D TSV

20153643

Optimization of 5-vinylaryl-3-pyridinecarbonitriles as PKCtheta inhibitors.

Bioorg Med Chem Lett 20: 1965-8 (2010)

Wyeth Research

2D 3D TSV

20153560

Synthesis and preliminary evaluation of peptidomimetic inhibitors of human beta-secretase.

Eur J Med Chem 45: 2089-94 (2010)

Peking University

2D 3D TSV

20153204

Optimization of 6,6-dimethyl pyrrolo[3,4-c]pyrazoles: Identification of PHA-793887, a potent CDK inhibitor suitable for intravenous dosing.

Bioorg Med Chem 18: 1844-53 (2010)

Nerviano Medical Sciences srl

2D 3D TSV

109

20153202

Synthesis and characterization of novel 1,2,4-triazine derivatives with antiproliferative activity.

Bioorg Med Chem 18: 1816-21 (2010)

Martin-Luther-Universit£t Halle-Wittenberg

2D 3D TSV

20153191

Effect of 3'-end capping of aptamer with various 2',4'-bridged nucleotides: Enzymatic post-modification toward a practical use of polyclonal aptamers.

Bioorg Med Chem Lett 20: 1626-9 (2010)

Gunma University

2D 3D TSV

20153189

SAR of PXR transactivation in benzimidazole-based IGF-1R kinase inhibitors.

Bioorg Med Chem Lett 20: 1744-8 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

20153188

Structure-activity relationships of norepinephrine reuptake inhibitors with benzothiadiazine dioxide or dihydrosulfostyril cores.

Bioorg Med Chem Lett 20: 1555-8 (2010)

Pfizer Inc

2D 3D TSV

20153187

Dioxo-triazines as a novel series of cathepsin K inhibitors.

Bioorg Med Chem Lett 20: 1488-90 (2010)

Schering-Plough Corporation

2D 3D TSV

20153186

S1P receptor mediated activity of FTY720 phosphate mimics.

Bioorg Med Chem Lett 20: 1485-7 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20153089

3D-QSAR studies on quinazoline antifolate thymidylate synthase inhibitors by CoMFA and CoMSIA models.

Eur J Med Chem 45: 1560-71 (2010)

Meerut Institute of Engineering and Technology

2D 3D TSV

20151677

Discovery of 4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamides as selective, orally active inhibitors of protein kinase B (Akt).

J Med Chem 53: 2239-49 (2010)

The Institute of Cancer Research

2D 3D TSV

20151671

Small molecule inhibitors of the neuropilin-1 vascular endothelial growth factor A (VEGF-A) interaction.

J Med Chem 53: 2215-26 (2010)

Domainex Ltd

2D 3D TSV

20151670

Novel irreversible epidermal growth factor receptor inhibitors by chemical modulation of the cysteine-trap portion.

J Med Chem 53: 2038-50 (2010)

Universit£ degli Studi di Parma

2D 3D TSV

20151639

Synthesis and uptake of fluorescence-labeled Combi-molecules by P-glycoprotein-proficient and -deficient uterine sarcoma cells MES-SA and MES-SA/DX5.

J Med Chem 53: 2104-13 (2010)

McGill University Health Center/Royal Victoria Hospital

2D 3D TSV

20149667

Interaction of (benzylidene-hydrazono)-1,4-dihydropyridines with beta-amyloid, acetylcholine, and butyrylcholine esterases.

Bioorg Med Chem 18: 2049-59 (2010)

Ege University

2D 3D TSV

20149664

Synthesis, in vitro progesterone receptors affinity of gadolinium containing mifepristone conjugates and estimation of binding sites in human breast cancer cells.

Bioorg Med Chem 18: 1891-8 (2010)

University of Quebec at Trois-Rivieres

2D 3D TSV

20149663

Development of selective and reversible pyrazoline based MAO-A inhibitors: Synthesis, biological evaluation and docking studies.

Bioorg Med Chem 18: 1875-81 (2010)

Institute of Technology

2D 3D TSV

20149658

Discovery and initial SAR of pyrimidin-4-yl-1H-imidazole derivatives with antiproliferative activity against melanoma cell lines.

Bioorg Med Chem Lett 20: 1573-7 (2010)

Korea Institute of Science and Technology

2D 3D TSV

20149657

Design and optimization of a series of novel 2-cyano-pyrimidines as cathepsin K inhibitors.

Bioorg Med Chem Lett 20: 1524-7 (2010)

Schering-Plough Corporation

2D 3D TSV

20149656

Derivatives of aryl amines containing the cytotoxic 1,4-dioxo-2-butenyl pharmacophore.

Bioorg Med Chem Lett 20: 1510-5 (2010)

Acadia University

2D 3D TSV

20149654

The discovery and optimization of hexahydro-2H-pyrano[3,2-c]quinolines (HHPQs) as potent and selective inhibitors of the mitotic kinesin-5.

Bioorg Med Chem Lett 20: 1491-5 (2010)

Merck Serono

2D 3D TSV

20149653

C-Aryl glycoside inhibitors of SGLT2: Exploration of sugar modifications including C-5 spirocyclization.

Bioorg Med Chem Lett 20: 1569-72 (2010)

Pfizer Inc

2D 3D TSV

20149651

Discovery of a novel series of potent S1P1 agonists.

Bioorg Med Chem Lett 20: 1516-9 (2010)

Merck Serono

2D 3D TSV

20149650

Azabicyclic sulfonamides as potent 11beta-HSD1 inhibitors.

Bioorg Med Chem Lett 20: 1551-4 (2010)

Merck Research Laboratories

2D 3D TSV

20149649

Arylpiperazine-containing pyrrole 3-carboxamide derivatives targeting serotonin 5-HT(2A), 5-HT(2C), and the serotonin transporter as a potential antidepressant.

Bioorg Med Chem Lett 20: 1705-11 (2010)

Green Cross Corporation

2D 3D TSV

133

20149498

Evaluation of anti-pigmentary effect of synthetic sulfonylamino chalcone.

Eur J Med Chem 45: 2010-7 (2010)

Department of Functional Crop

2D 3D TSV

20148564

Highly potent first examples of dual aromatase-steroid sulfatase inhibitors based on a biphenyl template.

J Med Chem 53: 2155-70 (2010)

University of Bath

2D 3D TSV

20148563

BRAF inhibitors based on an imidazo[4,5]pyridin-2-one scaffold and a meta substituted middle ring.

J Med Chem 53: 1964-78 (2010)

The Institute of Cancer Research

2D 3D TSV

20148533

Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors.

J Med Chem 53: 2126-35 (2010)

The State University of New York

2D 3D TSV

20146483

Development of potent and selective inhibitors of ecto-5'-nucleotidase based on an anthraquinone scaffold.

J Med Chem 53: 2076-86 (2010)

University of Bonn

2D 3D TSV

20146482

Discovery of 4-(4-(2-((5-Hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)(propyl)amino)ethyl)piperazin-1-yl)quinolin-8-ol and its analogues as highly potent dopamine D2/D3 agonists and as iron chelator: in vivo activity indicates potential application in symptomatic and neuroprotective therapy for Parkin

J Med Chem 53: 2114-25 (2010)

Wayne State University

2D 3D TSV

20146481

Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives.

J Med Chem 53: 2324-8 (2010)

University of Warwick

2D 3D TSV

20146480

The amino-terminus of angiotensin II contacts several ectodomains of the angiotensin II receptor AT1.

J Med Chem 53: 2063-75 (2010)

Universite de Sherbrooke

2D 3D TSV

20146479

Small molecule JNK (c-Jun N-terminal kinase) inhibitors.

J Med Chem 53: 3005-12 (2010)

Merck Research Laboratories

2D 3D TSV

20146435

Design, synthesis, and evaluation of 2-methyl- and 2-amino-N-aryl-4,5-dihydrothiazolo[4,5-h]quinazolin-8-amines as ring-constrained 2-anilino-4-(thiazol-5-yl)pyrimidine cyclin-dependent kinase inhibitors.

J Med Chem 53: 2136-45 (2010)

University of St. Andrews

2D 3D TSV

20145085

PER-6, an extended-spectrum beta-lactamase from Aeromonas allosaccharophila.

Antimicrob Agents Chemother 54: 1619-22 (2010)

Bicetre Hospital

2D 3D TSV

20144871

Antiproliferative activity of novel benzo[b][1,6]naphthyridines in human solid tumor cell lines.

Bioorg Med Chem Lett 20: 1504-6 (2010)

Vilnius University

2D 3D TSV

20144870

Effect of linker substitution on the binding of butorphan univalent and bivalent ligands to opioid receptors.

Bioorg Med Chem Lett 20: 1507-9 (2010)

Harvard Medical School

2D 3D TSV

20144869

Selective inducible microsomal prostaglandin E(2) synthase-1 (mPGES-1) inhibitors derived from an oxicam template.

Bioorg Med Chem Lett 20: 1604-9 (2010)

Pfizer Inc

2D 3D TSV

20144867

Synthesis of physostigmine analogues and evaluation of their anticholinesterase activities.

Bioorg Med Chem Lett 20: 1532-4 (2010)

Zhejiang University

2D 3D TSV

20144866

Novel pyrazolo-tetrahydropyridines as potent orexin receptor antagonists.

Bioorg Med Chem Lett 20: 1539-42 (2010)

Actelion Pharmaceuticals Ltd

2D 3D TSV

20144865

Synthesis and evaluation of opioid receptor-binding affinity of elaeocarpenine and its analogs.

Bioorg Med Chem Lett 20: 1601-3 (2010)

Kyorin Pharmaceutical Co., Ltd

2D 3D TSV

20144546

Replacement of pyrazol-3-yl amine hinge binder with thiazol-2-yl amine: Discovery of potent and selective JAK2 inhibitors.

Bioorg Med Chem Lett 20: 1669-73 (2010)

AstraZeneca R&D Boston

2D 3D TSV

20144545

LXXLL peptide mimetics as inhibitors of the interaction of vitamin D receptor with coactivators.

Bioorg Med Chem Lett 20: 1712-7 (2010)

The University of Tokyo

2D 3D TSV

20143840

Biological and biophysical properties of the histone deacetylase inhibitor suberoylanilide hydroxamic acid are affected by the presence of short alkyl groups on the phenyl ring.

J Med Chem 53: 1937-50 (2010)

UMR CNRS 6026-Universit£ Rennes 1

2D 3D TSV

20143782

Discovery of 1-[3-(4-bromo-2-methyl-2h-pyrazol-3-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea (nelotanserin) and related 5-hydroxytryptamine2A inverse agonists for the treatment of insomnia.

J Med Chem 53: 1923-36 (2010)

Arena Pharmaceuticals Inc

2D 3D TSV

20143779

Synthesis and evaluation of paracetamol esters as novel fatty acid amide hydrolase inhibitors.

J Med Chem 53: 2286-98 (2010)

University of Cagliari

2D 3D TSV

20143778

Discovery of 7-(4-(3-ethynylphenylamino)-7-methoxyquinazolin-6-yloxy)-N-hydroxyheptanamide (CUDc-101) as a potent multi-acting HDAC, EGFR, and HER2 inhibitor for the treatment of cancer.

J Med Chem 53: 2000-9 (2010)

Curis Inc

2D 3D TSV

20141147

Piperazinyl glutamate pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation.

J Med Chem 53: 2010-37 (2010)

Pfizer Inc

2D 3D TSV

257

20141146

Identification of potent pyrazolo[4,3-h]quinazoline-3-carboxamides as multi-cyclin-dependent kinase inhibitors.

J Med Chem 53: 2171-87 (2010)

Nerviano Medical Sciences srl

2D 3D TSV

234

20139990

Chemical phylogenetics of histone deacetylases.

Nat Chem Biol 6: 238-243 (2010)

Dana-Farber Cancer Institute Inc

2D 3D TSV

20138771

SAR studies on new bis-aryls 5-HT7 ligands: Synthesis and molecular modeling.

Bioorg Med Chem 18: 1958-67 (2010)

Universit£ d'Orl£ans

2D 3D TSV

20138769

Design, asymmetric synthesis, and evaluation of pseudosymmetric sulfoximine inhibitors against HIV-1 protease.

Bioorg Med Chem 18: 2037-48 (2010)

University of Minnesota

2D 3D TSV

20138763

3-(Arylsulfonyl)-1-(azacyclyl)-1H-indoles are 5-HT(6) receptor modulators.

Bioorg Med Chem Lett 20: 1657-60 (2010)

Wyeth Pharmaceuticals

2D 3D TSV

20138762

Acidic elements in histamine H(3) receptor antagonists.

Bioorg Med Chem Lett 20: 1581-4 (2010)

Johann Wolfgang Goethe University

2D 3D TSV

20138761

Part 2: Structure-activity relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.

Bioorg Med Chem Lett 20: 1680-4 (2010)

Amgen Inc

2D 3D TSV

20138520

The role of phosphate in the action of thymidine phosphorylase inhibitors: Implications for the catalytic mechanism.

Bioorg Med Chem Lett 20: 1648-51 (2010)

University at Buffalo

2D 3D TSV

20138518

Preparation and in vitro screening of symmetrical bispyridinium cholinesterase inhibitors bearing different connecting linkage-initial study for Myasthenia gravis implications.

Bioorg Med Chem Lett 20: 1763-6 (2010)

Military Health Sciences

2D 3D TSV

20138516

Discovery of potent and selective bicyclic A(2B) adenosine receptor antagonists via bioisosteric amide replacement.

Bioorg Med Chem Lett 20: 1634-7 (2010)

Rhône-Poulenc Rorer

2D 3D TSV

20138514

3-Aryl-4-(arylhydrazono)-1H-pyrazol-5-ones: Highly ligand efficient and potent inhibitors of GSK3beta.

Bioorg Med Chem Lett 20: 1661-4 (2010)

Vertex Pharmaceuticals Inc

2D 3D TSV

20138512

Discovery of potent and bioavailable GSK-3beta inhibitors.

Bioorg Med Chem Lett 20: 1693-6 (2010)

Roche Palo Alto

2D 3D TSV

20138510

2-Amino-aryl-7-aryl-benzoxazoles as potent, selective and orally available JAK2 inhibitors.

Bioorg Med Chem Lett 20: 1724-7 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20137957

Synthesis and pharmacological evaluation of novel 1,3,8- and 1,3,7,8-substituted xanthines as adenosine receptor antagonists.

Bioorg Med Chem 18: 2001-9 (2010)

Universidade de Porto

2D 3D TSV

20137956

Biomimetic synthesis and anti-HIV activity of dimeric phloroglucinols.

Bioorg Med Chem 18: 2029-36 (2010)

National Institute of Pharmaceutical Education and Research

2D 3D TSV

20137946

Discovery of N-(5,6-diarylpyridin-2-yl)amide derivatives as potent and selective A(2B) adenosine receptor antagonists.

Bioorg Med Chem Lett 20: 1697-700 (2010)

Rhône-Poulenc Rorer

2D 3D TSV

20137944

Decahydroisoquinoline derivatives as novel non-peptidic, potent and subtype-selective somatostatin sst(3) receptor antagonists.

Bioorg Med Chem Lett 20: 1728-34 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20137943

Azole-based inhibitors of AKT/PKB for the treatment of cancer.

Bioorg Med Chem Lett 20: 1559-64 (2010)

Amgen Inc

2D 3D TSV

20137942

Exploration of SAR features by modifications of thiazoleacetic acids as CRTH2 antagonists.

Bioorg Med Chem Lett 20: 1638-41 (2010)

7TM Pharma A/S

2D 3D TSV

20137941

Design, synthesis and evaluation of carbamate-modified (-)-N(1)-phenethylnorphysostigmine derivatives as selective butyrylcholinesterase inhibitors.

Bioorg Med Chem Lett 20: 1721-3 (2010)

Kyoto University

2D 3D TSV

20137940

2-Anilino-4-aryl-1,3-thiazole inhibitors of valosin-containing protein (VCP or p97).

Bioorg Med Chem Lett 20: 1677-9 (2010)

Kyowa Hakko Kogyo Co., Ltd

2D 3D TSV

20137938

Novel multiple opioid ligands based on 4-aminobenzazepinone (Aba), azepinoindole (Aia) and tetrahydroisoquinoline (Tic) scaffolds.

Bioorg Med Chem Lett 20: 1610-3 (2010)

Vrije Universiteit Brussel

2D 3D TSV

20137937

Evaluation of a 3-amino-8-azabicyclo[3.2.1]octane replacement in the CCR5 antagonist maraviroc.

Bioorg Med Chem Lett 20: 1674-6 (2010)

Roche Palo Alto

2D 3D TSV

20137936

Radiosynthesis of novel carbon-11-labeled triaryl ligands for cannabinoid-type 2 receptor.

Bioorg Med Chem Lett 20: 1565-8 (2010)

National Institute of Radiological Sciences

2D 3D TSV

20137935

Synthesis, SAR and intramolecular hydrogen bonding pattern of 1,3,5-trisubstituted 4,5-dihydropyrazoles as potent cannabinoid CB(1) receptor antagonists.

Bioorg Med Chem Lett 20: 1752-7 (2010)

Solvay Pharma

2D 3D TSV

20137934

Design, synthesis, evaluation and QSAR analysis of N(1)-substituted norcymserine derivatives as selective butyrylcholinesterase inhibitors.

Bioorg Med Chem Lett 20: 1718-20 (2010)

Kyoto University

2D 3D TSV

20137933

Identification of piperazine-bisamide GHSR antagonists for the treatment of obesity.

Bioorg Med Chem Lett 20: 1758-62 (2010)

Amgen Inc

2D 3D TSV

218

20137932

2-Aminothiadiazole inhibitors of AKT1 as potential cancer therapeutics.

Bioorg Med Chem Lett 20: 1652-6 (2010)

Amgen Inc

2D 3D TSV

20137931

Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode.

Bioorg Med Chem Lett 20: 1543-7 (2010)

Pfizer Inc

2D 3D TSV

20137929

Exploration of a new series of PAR1 antagonists.

Bioorg Med Chem Lett 20: 1735-9 (2010)

Centre de Recherche Pierre Fabre

2D 3D TSV

20137927

Novel tetrahydrochinoline derived CETP inhibitors.

Bioorg Med Chem Lett 20: 1740-3 (2010)

Bayer HealthCare AG

2D 3D TSV

20137926

SAR and optimization of thiazole analogs as potent stearoyl-CoA desaturase inhibitors.

Bioorg Med Chem Lett 20: 1593-7 (2010)

Merck Frosst Centre for Therapeutic Research

2D 3D TSV

20133028

Pharmacophore-based 3D QSAR studies on a series of high affinity 5-HT1A receptor ligands.

Eur J Med Chem 45: 1508-14 (2010)

Universidade Federal da Para£ba

2D 3D TSV

20131905

Incorporation of fluorinated phenylalanine generates highly specific inhibitor of proteasome's chymotrypsin-like sites.

J Med Chem 53: 2319-23 (2010)

Gorlaeus Laboratories

2D 3D TSV

20131864

1-(Indolin-1-yl)-1-phenyl-3-propan-2-olamines as potent and selective norepinephrine reuptake inhibitors.

J Med Chem 53: 2051-62 (2010)

Wyeth Research

2D 3D TSV

20131843

Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids.

J Med Chem 53: 1951-63 (2010)

University of W£rzburg

2D 3D TSV

20129792

Structural basis for selective inhibition of purine nucleoside phosphorylase from Schistosoma mansoni: kinetic and structural studies.

Bioorg Med Chem 18: 1421-7 (2010)

Universidade Federal da Bahia

2D 3D TSV

20129791

3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. part 2: optimization of the side chains to improve in vitro and in vivo potencies.

Bioorg Med Chem 18: 1641-58 (2010)

Minase Research Institute

2D 3D TSV

120

20129783

Podophyllotoxin analogues active versus Trypanosoma brucei.

Bioorg Med Chem Lett 20: 1787-91 (2010)

Vanderbilt University School of Medicine

2D 3D TSV

20129718

Novel cyclic-imide peptidomimetics as aminopeptidase N inhibitors. Structure-based design, chemistry and activity evaluation. II.

Eur J Med Chem 45: 1618-26 (2010)

Shandong University

2D 3D TSV

20128603

Structure of human G protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol.

J Med Chem 53: 1867-70 (2010)

University of Michigan

2D 3D TSV

20128596

Synthesis and biological evaluation of polysulfated oligosaccharide glycosides as inhibitors of angiogenesis and tumor growth.

J Med Chem 53: 1686-99 (2010)

Progen Pharmaceuticals Limited

2D 3D TSV

20128595

Design and synthesis of potent and selective BACE-1 inhibitors.

J Med Chem 53: 1458-64 (2010)

Stockholm University

2D 3D TSV

20128594

Identification and characterization of 4-chloro-N-(2-{[5-trifluoromethyl)-2-pyridyl]sulfonyl}ethyl)benzamide (GSK3787), a selective and irreversible peroxisome proliferator-activated receptor delta (PPARdelta) antagonist.

J Med Chem 53: 1857-61 (2010)

GlaxoSmithKline

2D 3D TSV

20123154

2-Arylthiomorpholine derivatives as potent and selective monoamine oxidase B inhibitors.

Bioorg Med Chem 18: 1388-95 (2010)

University of Chile

2D 3D TSV

20122837

Discovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core.

Bioorg Med Chem 18: 1711-23 (2010)

Stockholm University

2D 3D TSV

20122835

Synthesis and SAR of thiazolidinedione derivatives as 15-PGDH inhibitors.

Bioorg Med Chem 18: 1428-33 (2010)

Chosun University

2D 3D TSV

20121198

Studies of benzothiophene template as potent factor IXa (FIXa) inhibitors in thrombosis.

J Med Chem 53: 1465-72 (2010)

Trigen Ltd.

2D 3D TSV

20121197

Structure based drug design: development of potent and selective factor IXa (FIXa) inhibitors.

J Med Chem 53: 1473-82 (2010)

Trigen Ltd.

2D 3D TSV

148

20121196

Discovery of novel fibroblast growth factor receptor 1 kinase inhibitors by structure-based virtual screening.

J Med Chem 53: 1662-72 (2010)

Yale University

2D 3D TSV

20121116

Engineering galanin analogues that discriminate between GalR1 and GalR2 receptor subtypes and exhibit anticonvulsant activity following systemic delivery.

J Med Chem 53: 1871-5 (2010)

University of Utah

2D 3D TSV

20121115

Insight into binding of phosphodiesterase-9A selective inhibitors by crystal structures and mutagenesis.

J Med Chem 53: 1726-31 (2010)

University of North Carolina

2D 3D TSV

20121113

Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2).

J Med Chem 53: 1712-25 (2010)

Eindhoven University of Technology

2D 3D TSV

20117937

Design of novel nicotinamides as potent and selective monoamine oxidase a inhibitors.

Bioorg Med Chem 18: 1659-64 (2010)

Nanjing University

2D 3D TSV

20117005

CoMFA analysis of tgDHFR and rlDHFR based on antifolates with 6-5 fused ring system using the all-orientation search (AOS) routine and a modified cross-validated r(2)-guided region selection (q(2)-GRS) routine and its initial application.

Bioorg Med Chem 18: 1684-701 (2010)

Duquesne University

2D 3D TSV

170

20117004

Synthesis, structure-activity relationship and crystallographic studies of 3-substituted indolin-2-one RET inhibitors.

Bioorg Med Chem 18: 1482-96 (2010)

University of Milano-Bicocca

2D 3D TSV

20117000

Structure-activity relationships of diphenylpiperazine N-type calcium channel inhibitors.

Bioorg Med Chem Lett 20: 1378-83 (2010)

Neuromed Pharmaceuticals Ltd

2D 3D TSV

20116907

Synthesis and theoretical studies on energetics of novel N- and O- perfluoroalkyl triazole tagged thienopyrimidines--their potential as adenosine receptor ligands.

Eur J Med Chem 45: 1739-45 (2010)

Institute of Chemical Technology

2D 3D TSV

20116906

Designing inhibitors against fructose 1,6-bisphosphatase: exploring natural products for novel inhibitor scaffolds.

Eur J Med Chem 45: 1478-84 (2010)

Boston College

2D 3D TSV

20116902

Discovery of new cholesteryl ester transfer protein inhibitors via ligand-based pharmacophore modeling and QSAR analysis followed by synthetic exploration.

Eur J Med Chem 45: 1598-617 (2010)

Al-Zaytoonah Private University of Jordan

2D 3D TSV

QSAR study of flavonoids and biflavonoids as influenza H1N1 virus neuraminidase inhibitors.

20116898

Eur J Med Chem 45: 1724-30 (2010)

Universidad de Buenos Aires

2D 3D TSV

20116265

Carboxylated calixarenes bind strongly to CD69 and protect CD69(+) killer cells from suicidal cell death induced by tumor cell surface ligands.

Bioorg Med Chem 18: 1434-40 (2010)

Charles University Prague

2D 3D TSV

20108932

Synthesis of new thienyl ring containing HIV-1 protease inhibitors: promising preliminary pharmacological evaluation against recombinant HIV-1 proteases.

J Med Chem 53: 1451-7 (2010)

Universit£ degli Studi della Basilicata

2D 3D TSV

20108931

Novel inhibitors of dengue virus methyltransferase: discovery by in vitro-driven virtual screening on a desktop computer grid.

J Med Chem 53: 1483-95 (2010)

University of Basel

2D 3D TSV

20104850

Subtlety of the structure-affinity and structure-efficacy relationships around a nonpeptide oxytocin receptor agonist.

J Med Chem 53: 1546-62 (2010)

University of Strasburg

2D 3D TSV

20102207

Synthesis and preclinical evaluations of 2-(2-fluorophenyl)-6,7-methylenedioxyquinolin-4-one monosodium phosphate (CHM-1-P-Na) as a potent antitumor agent.

J Med Chem 53: 1616-26 (2010)

China Medical University

2D 3D TSV

20102150

Discovery and clinical evaluation of 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-[2,2-difluoro-2-phenylethylamino]pyrazinone (RWJ-671818), a thrombin inhibitor with an oxyguanidine P1 motif.

J Med Chem 53: 1843-56 (2010)

Johnson & Johnson Pharmaceutical Research and Development LLC

2D 3D TSV

20100662

11beta-Hydroxysteroid dehydrogenase 1 inhibiting constituents from Eriobotrya japonica revealed by bioactivity-guided isolation and computational approaches.

Bioorg Med Chem 18: 1507-15 (2010)

University of Innsbruck

2D 3D TSV

20100661

Binding of curcumin and its long chain derivatives to the activator binding domain of novel protein kinase C.

Bioorg Med Chem 18: 1591-8 (2010)

University of Houston

2D 3D TSV

20100660

Phenyltriazolinones as potent factor Xa inhibitors.

Bioorg Med Chem Lett 20: 1373-7 (2010)

Bristol-Myers Squibb Co.

2D 3D TSV

20099888

Characterization of tunable piperidine and piperazine carbamates as inhibitors of endocannabinoid hydrolases.

J Med Chem 53: 1830-42 (2010)

The Scripps Research Institute

2D 3D TSV

Discovery and optimization of novel 3-piperazinylcoumarin antagonist of chemokine-like factor 1 with oral antiasthma activity in mice.

20099827

J Med Chem 53: 1741-54 (2010)

Chinese Academy of Medical Sciences and Peking Union Medical College

2D 3D TSV

20097567

Potent inhibitor scaffold against Trypanosoma cruzi trans-sialidase.

Bioorg Med Chem 18: 1633-40 (2010)

Hokkaido University

2D 3D TSV

20097565

Synthesis and structure-activity relationship of botryllamides that block the ABCG2 multidrug transporter.

Bioorg Med Chem Lett 20: 1330-3 (2010)

Ritsumeikan University

2D 3D TSV

20097563

Part II: piperazinyl-glutamate-pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation.

Bioorg Med Chem Lett 20: 1388-94 (2010)

Pfizer Inc

2D 3D TSV

20097083

Evaluation of 3,4-dihydroquinazoline-2(1H)-thiones as inhibitors of alpha-MSH-induced melanin production in melanoma B16 cells.

Bioorg Med Chem 18: 1555-62 (2010)

Chungnam National University

2D 3D TSV

20097082

Novel matrix metalloproteinase inhibitors derived from quinoxalinone scaffold (Part I).

Bioorg Med Chem 18: 1516-25 (2010)

Shandong University

2D 3D TSV

20097079

Novel 1,3-dihydro-benzimidazol-2-ones and their analogues as potent non-nucleoside HIV-1 reverse transcriptase inhibitors.

Bioorg Med Chem 18: 1702-10 (2010)

Universit£ di Messina

2D 3D TSV

20097074

New potential antitumor compounds from the plant Aristolochia manshuriensis as inhibitors of the CDK2 enzyme.

Bioorg Med Chem Lett 20: 1344-6 (2010)

Schering-Plough Research Institute

2D 3D TSV

20097073

Synthesis and structure-activity relationships of a series of 3-aryl-4-isoxazolecarboxamides as a new class of TGR5 agonists.

Bioorg Med Chem Lett 20: 1363-7 (2010)

GlaxoSmithKline

2D 3D TSV

20097072

Celecoxib analogs possessing a N-(4-nitrooxybutyl)piperidin-4-yl or N-(4-nitrooxybutyl)-1,2,3,6-tetrahydropyridin-4-yl nitric oxide donor moiety: synthesis, biological evaluation and nitric oxide release studies.

Bioorg Med Chem Lett 20: 1324-9 (2010)

University of Alberta

2D 3D TSV

20097071

Potent oxadiazole CGRP receptor antagonists for the potential treatment of migraine.

Bioorg Med Chem Lett 20: 1368-72 (2010)

GlaxoSmithKline

2D 3D TSV

20097068

Pyrrolidine amides of pyrazolodihydropyrimidines as potent and selective KV1.5 blockers.

Bioorg Med Chem Lett 20: 1436-9 (2010)

Bristol-Myers Squibb Pharmaceutical Research and Development

2D 3D TSV

20097066

Semi-synthetic aristolactams--inhibitors of CDK2 enzyme.

Bioorg Med Chem Lett 20: 1384-7 (2010)

Schering-Plough Research Institute

2D 3D TSV

20096593

Synthesis and biological evaluation of (phenylpiperazinyl-propyl)arylsulfonamides as selective 5-HT(2A) receptor antagonists.

Bioorg Med Chem 18: 1665-75 (2010)

Ewha Womans University

2D 3D TSV

Developing a complete pharmacology for AMPA receptors: a perspective on subtype-selective ligands.

20096591

Bioorg Med Chem 18: 1381-7 (2010)

University of California

2D 3D TSV

20096577

Furo[2,3-b]pyridine-based cannabinoid-1 receptor inverse agonists: synthesis and biological evaluation. Part 1.

Bioorg Med Chem Lett 20: 1448-52 (2010)

Merck Research Laboratories

2D 3D TSV

20096576

Discovery of olodaterol, a novel inhaled beta2-adrenoceptor agonist with a 24 h bronchodilatory efficacy.

Bioorg Med Chem Lett 20: 1410-4 (2010)

Boehringer Ingelheim Pharma GmbH & Co. KG

2D 3D TSV

20095623

Structure-based discovery of novel chemotypes for adenosine A(2A) receptor antagonists.

J Med Chem 53: 1799-809 (2010)

The Scripps Research Institute

2D 3D TSV

20095622

Improvement of physiochemical properties of the tetrahydroazepinoindole series of farnesoid X receptor (FXR) agonists: beneficial modulation of lipids in primates.

J Med Chem 53: 1774-87 (2010)

Wyeth Research

2D 3D TSV

20095613

Low molecular weight antagonists of the myelin-associated glycoprotein: synthesis, docking, and biological evaluation.

J Med Chem 53: 1597-615 (2010)

University of Basel

2D 3D TSV

20095577

5-OMe-UDP is a potent and selective P2Y(6)-receptor agonist.

J Med Chem 53: 1673-85 (2010)

Bar-Ilan University

2D 3D TSV

20093036

Inhibition of monoamine oxidase by 8-benzyloxycaffeine analogues.

Bioorg Med Chem 18: 1018-28 (2010)

North-West University

2D 3D TSV

20093035

Isosorbide-based cholinesterase inhibitors; replacement of 5-ester groups leading to increased stability.

Bioorg Med Chem 18: 1045-53 (2010)

Trinity College

2D 3D TSV

20093027

Discovery of 6-benzyloxyquinolines as c-Met selective kinase inhibitors.

Bioorg Med Chem Lett 20: 1405-9 (2010)

Chugai Pharmaceutical Co. Ltd

2D 3D TSV

20092334

Synthesis and structure-activity relationships of dimeric peptide antagonists of the human immunoglobulin G-human neonatal Fc receptor (IgG-FcRn) interaction.

J Med Chem 53: 1587-96 (2010)

Syntonix Pharmaceuticals, Inc.

2D 3D TSV

20092323

Single agents with designed combination chemotherapy potential: synthesis and evaluation of substituted pyrimido[4,5-b]indoles as receptor tyrosine kinase and thymidylate synthase inhibitors and as antitumor agents.

J Med Chem 53: 1563-78 (2010)

Duquesne University

2D 3D TSV

20089402

Design, synthesis, and biological evaluation of potent thiosemicarbazone based cathepsin L inhibitors.

Bioorg Med Chem Lett 20: 1415-9 (2010)

Baylor University

2D 3D TSV

20089401

Pyrazolopyrimidines as highly potent and selective, ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR): optimization of the 1-substituent.

Bioorg Med Chem Lett 20: 1440-4 (2010)

Wyeth Research

2D 3D TSV

20089400

Synthesis and discovery of 2,3-dihydro-3,8-diphenylbenzo[1,4]oxazines as a novel class of potent cholesteryl ester transfer protein inhibitors.

Bioorg Med Chem Lett 20: 1432-5 (2010)

Johnson & Johnson Pharmaceutical Research and Development LLC

2D 3D TSV

20088534

Nonpeptidic tetrafluorophenoxymethyl ketone cruzain inhibitors as promising new leads for Chagas disease chemotherapy.

J Med Chem 53: 1763-73 (2010)

University of California

2D 3D TSV

20088516

De novo design of a picomolar nonbasic 5-HT(1B) receptor antagonist.

J Med Chem 53: 1876-80 (2010)

AstraZeneca Pharmaceuticals

2D 3D TSV

20088513

Selective inhibitors of the JMJD2 histone demethylases: combined nondenaturing mass spectrometric screening and crystallographic approaches.

J Med Chem 53: 1810-8 (2010)

University of Oxford

2D 3D TSV

20088512

One step radiosynthesis of 6-[(18)F]fluoronicotinic acid 2,3,5,6-tetrafluorophenyl ester ([(18)F]F-Py-TFP): a new prosthetic group for efficient labeling of biomolecules with fluorine-18.

J Med Chem 53: 1732-40 (2010)

University of Troms£

2D 3D TSV

20085328

Synthesis and antitumor activity of a novel series of 6-substituted pyrrolo[2,3-d]pyrimidine thienoyl antifolate inhibitors of purine biosynthesis with selectivity for high affinity folate receptors and the proton-coupled folate transporter over the reduced folate carrier for cellular entry.

J Med Chem 53: 1306-18 (2010)

Duquesne University

2D 3D TSV

20083404

Boron-containing phenoxyacetanilide derivatives as hypoxia-inducible factor (HIF)-1alpha inhibitors.

Bioorg Med Chem Lett 20: 1453-6 (2010)

Gakushuin University

2D 3D TSV

20081854

Rapid behavior-based identification of neuroactive small molecules in the zebrafish.

Nat Chem Biol 6: 231-237 (2010)

Harvard Medical School

2D 3D TSV

20081828

Mechanistic insights into a Ca2+-dependent family of alpha-mannosidases in a human gut symbiont.

Nat Chem Biol 6: 125-32 (2010)

Newcastle University

2D 3D TSV

20081827

The p110 delta structure: mechanisms for selectivity and potency of new PI(3)K inhibitors.

Nat Chem Biol 6: 117-24 (2010)

Medical Research Council-Laboratory of Molecular Biology

2D 3D TSV

20081815

Chemoselective small molecules that covalently modify one lysine in a non-enzyme protein in plasma.

Nat Chem Biol 6: 133-9 (2010)

The Scripps Research Institute

2D 3D TSV

20080412

Synthesis of 1-(D-glucopyranosyl)-1,2,3-triazoles and their evaluation as glycogen phosphorylase inhibitors.

Bioorg Med Chem 18: 1171-80 (2010)

University of Debrecen

2D 3D TSV

20079638

Synthesis and structure-activity relationship of substitutions at the C-1 position of Delta9-tetrahydrocannabinol.

Bioorg Med Chem Lett 20: 1424-6 (2010)

AMRI

2D 3D TSV

20079636

Synthesis and biological activities of novel indole derivatives as potent and selective PPARgamma modulators.

Bioorg Med Chem Lett 20: 1399-404 (2010)

GlaxoSmithKline

2D 3D TSV

20079560

Synthesis and evaluation of novel rutaecarpine derivatives and related alkaloids derivatives as selective acetylcholinesterase inhibitors.

Eur J Med Chem 45: 1415-23 (2010)

Sun Yat-sen University

2D 3D TSV

20078138

Triazaspirodimethoxybenzoyls as selective inhibitors of mycobacterial lipoamide dehydrogenase .

Biochemistry 49: 1616-27 (2010)

Weill Cornell Medical College

2D 3D TSV

20078117

Pyridinylquinoxalines and pyridinylpyridopyrazines as lead compounds for novel p38 alpha mitogen-activated protein kinase inhibitors.

J Med Chem 53: 1128-37 (2010)

Eberhard-Karls-University of T£bingen

2D 3D TSV

20078106

Benzimidazole derivatives as new serotonin 5-HT6 receptor antagonists. Molecular mechanisms of receptor inactivation.

J Med Chem 53: 1357-69 (2010)

Universidad Complutense de Madrid

2D 3D TSV

20074837

The identification of 8,9-dimethoxy-5-(2-aminoalkoxy-pyridin-3-yl)-benzo[c][2,7]naphthyridin-4-ylamines as potent inhibitors of 3-phosphoinositide-dependent kinase-1 (PDK-1).

Eur J Med Chem 45: 1379-86 (2010)

Wyeth Research

2D 3D TSV

20073471

Design, synthesis, and docking studies of novel benzimidazoles for the treatment of metabolic syndrome.

J Med Chem 53: 1076-85 (2010)

The University of Mississippi

2D 3D TSV

20071170

Identification of potent and selective VEGFR receptor tyrosine kinase inhibitors having new amide isostere headgroups.

Bioorg Med Chem Lett 20: 848-52 (2010)

MethylGene Inc

2D 3D TSV

20071169

Design and synthesis of piperazine-indole p38alpha MAP kinase inhibitors with improved pharmacokinetic profiles.

Bioorg Med Chem Lett 20: 828-31 (2010)

Scios Inc

2D 3D TSV

20071057

Evaluation of aldose reductase inhibition and docking studies of 6'-nitro and 6',6''-dinitrorosmarinic acids.

Eur J Med Chem 45: 1663-6 (2010)

National Hellenic Research Foundation

2D 3D TSV

20069627

Assessment of species specificity of moulting accelerating compounds in Lepidoptera: comparison of activity between Bombyx mori and Spodoptera littoralis by in vitro reporter and in vivo toxicity assays.

Pest Manag Sci 66: 526-35 (2010)

Ghent University

2D 3D TSV

20067291

Design and synthesis of novel quinone inhibitors targeted to the redox function of apurinic/apyrimidinic endonuclease 1/redox enhancing factor-1 (Ape1/ref-1).

J Med Chem 53: 1200-10 (2010)

Purdue University

2D 3D TSV

20067290

Isosorbide-2-benzyl carbamate-5-salicylate, a peripheral anionic site binding subnanomolar selective butyrylcholinesterase inhibitor.

J Med Chem 53: 1190-9 (2010)

Trinity College

2D 3D TSV

20067271

Novel highly potent and selective sigma 1 receptor antagonists related to spipethiane.

J Med Chem 53: 1261-9 (2010)

Universit£ di Camerino

2D 3D TSV

20065056

GES-13, a beta-lactamase variant possessing Lys-104 and Asn-170 in Pseudomonas aeruginosa.

Antimicrob Agents Chemother 54: 1331-3 (2010)

Hellenic Pasteur Institute

2D 3D TSV

20064722

Synthesis and biological activity of the calcium modulator (R) and (S)-3-methyl 5-pentyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Bioorg Med Chem Lett 20: 805-8 (2010)

Fourth Military Medical University

2D 3D TSV

20064720

Novel benzofuran derivatives with dual 5-HT1A receptor and serotonin transporter affinity.

Bioorg Med Chem Lett 20: 824-7 (2010)

Wyeth Research

2D 3D TSV

20064719

Structure-based design of a thiazolidinedione which targets the mitochondrial protein mitoNEET.

Bioorg Med Chem Lett 20: 819-23 (2010)

Northeastern Ohio Universities

2D 3D TSV

20064718

Remote functionalization of SCH 39166: discovery of potent and selective benzazepine dopamine D1 receptor antagonists.

Bioorg Med Chem Lett 20: 832-5 (2010)

Merck Research Laboratories

2D 3D TSV

20064717

Spirocyclic ureas: orally bioavailable 11beta-HSD1 inhibitors identified by computer-aided drug design.

Bioorg Med Chem Lett 20: 881-6 (2010)

Vitae Pharmaceuticals

2D 3D TSV

20064714

Discovery of 5-aryloxy-2,4-thiazolidinediones as potent GPR40 agonists.

Bioorg Med Chem Lett 20: 1298-301 (2010)

Merck Research Laboratories

2D 3D TSV

20063996

Characterisation of hydrazides and hydrazine derivatives as novel aspartic protease inhibitors.

J Enzyme Inhib Med Chem 25: 673-8 (2010)

University of Karachi

2D 3D TSV

20061381

Characterization of a novel class of polyphenolic inhibitors of plasminogen activator inhibitor-1.

J Biol Chem 285: 7892-902 (2010)

University of Michigan

2D 3D TSV

20061161

Design, synthesis and biological evaluation of new 2,3-diarylquinoline derivatives as selective cyclooxygenase-2 inhibitors.

Bioorg Med Chem 18: 1029-33 (2010)

Shahid Beheshti University MC

2D 3D TSV

20061157

4-Aryl-4-oxo-N-phenyl-2-aminylbutyramides as acetyl- and butyrylcholinesterase inhibitors. Preparation, anticholinesterase activity, docking study, and 3D structure-activity relationship based on molecular interaction fields.

Bioorg Med Chem 18: 1181-93 (2010)

Institute

2D 3D TSV

20061148

Discovery of new SCH 39166 analogs as potent and selective dopamine D1 receptor antagonists.

Bioorg Med Chem Lett 20: 836-40 (2010)

Merck Research Laboratories

2D 3D TSV

20061146

The discovery of MK-0674, an orally bioavailable cathepsin K inhibitor.

Bioorg Med Chem Lett 20: 887-92 (2010)

Merck Frosst Centre for Therapeutic Research

2D 3D TSV

20061068

Synthesis, structure and affinity of novel 3-alkoxy-1,2-dihydro-3H-1,4-benzodiazepin-2-ones for CNS central and peripheral benzodiazepine receptors.

Eur J Med Chem 45: 1346-51 (2010)

Institute of the National Academy of Sciences of Ukraine

2D 3D TSV

20060623

Synthesis and pharmacological evaluation of new 5-(cyclo)alkyl-5-phenyl- and 5-spiroimidazolidine-2,4-dione derivatives. Novel 5-HT1A receptor agonist with potential antidepressant and anxiolytic activity.

Eur J Med Chem 45: 1295-303 (2010)

Jagiellonian University Medical College

2D 3D TSV

20060622

Design, synthesis and evaluation of analogs of initiation factor 4E (eIF4E) cap-binding antagonist Bn7-GMP.

Eur J Med Chem 45: 1304-13 (2010)

University of Minnesota

2D 3D TSV

20060304

beta-Naphthoflavone analogs as potent and soluble aryl hydrocarbon receptor agonists: improvement of solubility by disruption of molecular planarity.

Bioorg Med Chem 18: 1194-203 (2010)

The University of Tokyo

2D 3D TSV

20060294

Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.

Bioorg Med Chem Lett 20: 1293-7 (2010)

Novartis Institutes for BioMedical Research

2D 3D TSV

20058865

Inhibitors of prolyl oligopeptidases for the therapy of human diseases: defining diseases and inhibitors.

J Med Chem 53: 3423-38 (2010)

McGill University

2D 3D TSV

20056549

Discovery of 3-(4-bromophenyl)-6-nitrobenzo[1.3.2]dithiazolium ylide 1,1-dioxide as a novel dual cyclooxygenase/5-lipoxygenase inhibitor that also inhibits tumor necrosis factor-alpha production.

Bioorg Med Chem 18: 597-604 (2010)

National Taiwan University

2D 3D TSV

20056548

Synthesis, in vitro structure-activity relationship, and in vivo studies of 2-arylthiazolidine-4-carboxylic acid amides as anticancer agents.

Bioorg Med Chem 18: 477-95 (2010)

University of Tennessee Health Science Center

2D 3D TSV

20056546

2,4-Diamino-5-methyl-6-substituted arylthio-furo[2,3-d]pyrimidines as novel classical and nonclassical antifolates as potential dual thymidylate synthase and dihydrofolate reductase inhibitors.

Bioorg Med Chem 18: 953-61 (2010)

Duquesne University

2D 3D TSV