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| PMID | Data | Article Title | Citation | Organization | SD Files Download |
|---|---|---|---|---|---|
| 19995674 | 17 | P2'-truncated BACE-1 inhibitors with a novel hydroxethylene-like core. |
Eur J Med Chem 45: 542-54 (2010) | Stockholm University | 2D 3D TSV |
| 19994845 | 4 | Synthesis and antiproliferative activity of 7-azaindirubin-3'-oxime, a 7-aza isostere of the natural indirubin pharmacophore. |
J Nat Prod 72: 2199-202 (2009) | University of Athens | 2D 3D TSV |
| 19969465 | 18 | Enhancement of EGFR tyrosine kinase inhibition by C-C multiple bonds-containing anilinoquinazolines. |
Bioorg Med Chem 18: 870-9 (2010) | Gakushuin University | 2D 3D TSV |
| 19969464 | 56 | Design, synthesis and primary activity assay of bi- or tri-peptide analogues with the scaffold l-arginine as amino-peptidase N/CD13 inhibitors. |
Bioorg Med Chem 18: 887-95 (2010) | Shandong University | 2D 3D TSV |
| 19969459 | 40 | Continued exploration of the triazolopyridine scaffold as a platform for p38 MAP kinase inhibition. |
Bioorg Med Chem Lett 20: 469-73 (2010) | Pfizer Global Research and Development | 2D 3D TSV |
| 19969458 | 8 | Evaluation of pyrrolin-2-one derivatives synthesized by a new practical method as inhibitors of plasminogen activator inhibitor-1 (PAI-1). |
Bioorg Med Chem Lett 20: 546-8 (2010) | Mitsubishi Tanabe Pharma Co., Ltd | 2D 3D TSV |
| 19969456 | 23 | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors. |
Bioorg Med Chem Lett 20: 586-90 (2010) | Vernalis (R&D) Ltd | 2D 3D TSV |
| 19969455 | 70 | Novel purine and pyrazolo[3,4-d]pyrimidine inhibitors of PI3 kinase-alpha: Hit to lead studies. |
Bioorg Med Chem Lett 20: 636-9 (2010) | Wyeth Research | 2D 3D TSV |
| 19969454 | 7 | Proposed structural basis of interaction of piperine and related compounds with monoamine oxidases. |
Bioorg Med Chem Lett 20: 537-40 (2010) | University of Cambridge | 2D 3D TSV |
| 19969453 | 73 | Optimization of piperidyl-ureas as inhibitors of soluble epoxide hydrolase. |
Bioorg Med Chem Lett 20: 571-5 (2010) | Boehringer Ingelheim Pharmaceuticals | 2D 3D TSV |
| 19969452 | 112 | Sulfonylureido thiazoles as fructose-1,6-bisphosphatase inhibitors for the treatment of type-2 diabetes. |
Bioorg Med Chem Lett 20: 594-9 (2010) | F. Hoffmann-La Roche Ltd | 2D 3D TSV |
| 19969400 | 4 | 5-Substituted [1]pyrindine derivatives with antiproliferative activity. |
Eur J Med Chem 45: 896-901 (2010) | INSERM | 2D 3D TSV |
| 19968566 | 40 | 3D-QSAR, molecular docking studies, and binding mode prediction of thiolactomycin analogs as mtFabH inhibitors. |
J Enzyme Inhib Med Chem 25: 240-9 (2010) | China Pharmaceutical University | 2D 3D TSV |
| 19968289 | 201 | Design and synthesis of 5,5'-disubstituted aminohydantoins as potent and selective human beta-secretase (BACE1) inhibitors. |
J Med Chem 53: 1146-58 (2010) | Wyeth Research | 2D 3D TSV |
| 19968288 | 83 | Lead optimization of N-3-substituted 7-morpholinotriazolopyrimidines as dual phosphoinositide 3-kinase/mammalian target of rapamycin inhibitors: discovery of PKI-402. |
J Med Chem 53: 798-810 (2010) | Wyeth Research | 2D 3D TSV |
| 19966789 | 40 | Reduced histone deacetylase 7 activity restores function to misfolded CFTR in cystic fibrosis. |
Nat Chem Biol 6: 25-33 (2009) | The Scripps Research Institute | 2D 3D TSV |
| 19963390 | 20 | Inhibitors of human tyrosyl-DNA phospodiesterase (hTdp1) developed by virtual screening using ligand-based pharmacophores. |
Bioorg Med Chem 18: 182-9 (2010) | National Cancer Institute | 2D 3D TSV |
| 19963384 | 26 | Discovery of 3,6-dihydro-2H-pyran as a morpholine replacement in 6-aryl-1H-pyrazolo[3,4-d]pyrimidines and 2-arylthieno[3,2-d]pyrimidines: ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR). |
Bioorg Med Chem Lett 20: 640-3 (2010) | Wyeth Research | 2D 3D TSV |
| 19963381 | 18 | Potent and selective neuronal nitric oxide synthase inhibitors with improved cellular permeability. |
Bioorg Med Chem Lett 20: 554-7 (2010) | Northwestern University | 2D 3D TSV |
| 19963380 | 38 | Synthetic studies and pharmacological evaluations on the MDMA ('Ecstasy') antagonist nantenine. |
Bioorg Med Chem Lett 20: 628-31 (2010) | Hunter College and the Graduate Center of the City University of New York | 2D 3D TSV |
| 19963378 | 11 | Synthesis and pharmacological characterization of constrained analogues of Vestipitant as in vitro potent and orally active NK(1) receptor antagonists. |
Bioorg Med Chem Lett 20: 623-7 (2010) | GlaxoSmithKline Medicines Research Centre | 2D 3D TSV |
| 19963375 | 30 | Macrocyclic BACE-1 inhibitors acutely reduce Abeta in brain after po application. |
Bioorg Med Chem Lett 20: 603-7 (2010) | Novartis Institutes for BioMedicalResearch | 2D 3D TSV |
| 19963374 | 68 | Triazole oxytocin antagonists: Identification of an aryloxyazetidine replacement for a biaryl substituent. |
Bioorg Med Chem Lett 20: 516-20 (2010) | Pfizer Global Research and Development | 2D 3D TSV |
| 19962901 | 2 | Synthesis, pharmacological studies and molecular modeling of some tetracyclic 1,3-diazepinium chlorides. |
Bioorg Med Chem 18: 909-21 (2010) | University of the West Indies | 2D 3D TSV |
| 19962893 | 3 | The comparative antimalarial properties of weak base and neutral synthetic ozonides. |
Bioorg Med Chem Lett 20: 563-6 (2010) | University of Nebraska Medical Center | 2D 3D TSV |
| 19962892 | 48 | Quinoline-3-carboxamide containing sulfones as liver X receptor (LXR) agonists with binding selectivity for LXRbeta and low blood-brain penetration. |
Bioorg Med Chem Lett 20: 689-93 (2010) | Wyeth Pharmaceuticals | 2D 3D TSV |
| 19962796 | 64 | 3D QSAR studies on ketoamides of human cathepsin K inhibitors based on two different alignment methods. |
Eur J Med Chem 45: 667-81 (2010) | Chinese Academy of Sciences | 2D 3D TSV |
| 19962793 | 14 | Synthesis and biological evaluation of [1,2,4]triazino[4,3-a] benzimidazole acetic acid derivatives as selective aldose reductase inhibitors. |
Eur J Med Chem 45: 909-14 (2010) | Institute of Pharmaceutical Sciences | 2D 3D TSV |
| 19962319 | 14 | Application of a novel [3+2] cycloaddition reaction to prepare substituted imidazoles and their use in the design of potent DFG-out allosteric B-Raf inhibitors. |
Bioorg Med Chem 18: 292-304 (2010) | The University of Arizona | 2D 3D TSV |
| 19962305 | 2 | Drug design and synthesis of a novel kappa opioid receptor agonist with an oxabicyclo[2.2.2]octane skeleton and its pharmacology. |
Bioorg Med Chem Lett 20: 121-4 (2010) | Kitasato University | 2D 3D TSV |
| 19959367 | 10 | Synthesis of 3-[(N-carboalkoxy)ethylamino]-indazole-dione derivatives and their biological activities on human liver carbonyl reductase. |
Bioorg Med Chem 18: 134-41 (2010) | Howard University | 2D 3D TSV |
| 19959361 | 2 | Novel enoyl-ACP reductase (FabI) potential inhibitors of Escherichia coli from Chinese medicine monomers. |
Bioorg Med Chem Lett 20: 56-9 (2010) | Huazhong Agricultural University | 2D 3D TSV |
| 19959360 | 50 | SAR of N-phenyl piperidine based oral integrin alpha5beta1 antagonists. |
Bioorg Med Chem Lett 20: 65-8 (2010) | Jerini AG | 2D 3D TSV |
| 19959359 | 46 | Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. |
Bioorg Med Chem Lett 20: 632-5 (2010) | Wyeth Research | 2D 3D TSV |
| 19959358 | 57 | Optimization of orally bioavailable alkyl amine renin inhibitors. |
Bioorg Med Chem Lett 20: 694-9 (2010) | Vitae Pharmaceuticals | 2D 3D TSV |
| 19957998 | 8 | Enhancing the intestinal absorption of molecules containing the polar guanidino functionality: a double-targeted prodrug approach. |
J Med Chem 53: 624-32 (2010) | University of Michigan | 2D 3D TSV |
| 19957931 | 66 | Novel ester and acid derivatives of the 1,5-diarylpyrrole scaffold as anti-inflammatory and analgesic agents. Synthesis and in vitro and in vivo biological evaluation. |
J Med Chem 53: 723-33 (2010) | Universit£ La Sapienza | 2D 3D TSV |
| 19957930 | 126 | Structure-activity relationship studies leading to the identification of (2E)-3-[l-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methyl-lH-indol-7-yl]-N-[(4,5-dichloro-2-thienyl)sulfonyl]-2-propenamide (DG-041), a potent and selective prostanoid EP3 receptor antagonist, as a novel antiplatelet agent that |
J Med Chem 53: 18-36 (2010) | deCODE Chemistry, Inc. | 2D 3D TSV |
| 19954984 | 8 | Identification of a novel ligand binding motif in the transthyretin channel. |
Bioorg Med Chem 18: 100-10 (2010) | Universidade Federal do Rio de Janeiro | 2D 3D TSV |
| 19954978 | 55 | Exploring SAR features in diverse library of 4-cyanomethyl-pyrazole-3-carboxamides suitable for further elaborations as CB1 antagonists. |
Bioorg Med Chem Lett 20: 26-30 (2010) | 7TM Pharma A/S | 2D 3D TSV |
| 19954976 | 60 | Pyrazole derived from (+)-3-carene; a novel potent, selective scaffold for sphingosine-1-phosphate (S1P(1)) receptor agonists. |
Bioorg Med Chem Lett 20: 35-7 (2010) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 19954975 | 27 | Structure-activity relationships of N-substituted ligands for the alpha7 nicotinic acetylcholine receptor. |
Bioorg Med Chem Lett 20: 104-7 (2010) | Abbott Laboratories | 2D 3D TSV |
| 19954973 | 24 | Oxygenated analogues of UK-396082 as inhibitors of activated thrombin activatable fibrinolysis inhibitor. |
Bioorg Med Chem Lett 20: 92-6 (2010) | Pfizer Global Research and Development | 2D 3D TSV |
| 19954972 | 14 | Oxo-bridged isomers of aza-trishomocubane sigma (sigma) receptor ligands: Synthesis, in vitro binding, and molecular modeling. |
Bioorg Med Chem Lett 20: 145-8 (2010) | University of Sydney | 2D 3D TSV |
| 19954971 | 40 | Coumarins as novel 17beta-hydroxysteroid dehydrogenase type 3 inhibitors for potential treatment of prostate cancer. |
Bioorg Med Chem Lett 20: 272-5 (2010) | Sumitomo Chemical Co., Ltd | 2D 3D TSV |
| 19954970 | 64 | Novel imidazolopyrimidines as dual PI3-Kinase/mTOR inhibitors. |
Bioorg Med Chem Lett 20: 653-6 (2010) | Wyeth Research | 2D 3D TSV |
| 19954867 | 2 | Radiosynthesis and radiopharmacological evaluation of cyclin-dependent kinase 4 (Cdk4) inhibitors. |
Eur J Med Chem 45: 727-37 (2010) | Institute of Radiopharmacy | 2D 3D TSV |
| 19954866 | 31 | Efficient microwave combinatorial synthesis of novel indolic arylpiperazine derivatives as serotoninergic ligands. |
Eur J Med Chem 45: 752-9 (2010) | Universit£ di Napoli | 2D 3D TSV |
| 19954865 | 10 | Synthesis and AChE inhibitory activity of new chiral tetrahydroacridine analogues from terpenic cyclanones. |
Eur J Med Chem 45: 526-35 (2010) | Universidade Federal do Rio Grande do Sul | 2D 3D TSV |
| 19954435 | 116 | Heme oxygenase inhibition by 2-oxy-substituted 1-azolyl-4-phenylbutanes: effect of variation of the azole moiety. X-ray crystal structure of human heme oxygenase-1 in complex with 4-phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone. |
Chem Biol Drug Des 75: 68-90 (2010) | Queen's University | 2D 3D TSV |
| 19954248 | 85 | Increasing selectivity of CC chemokine receptor 8 antagonists by engineering nondesolvation related interactions with the intended and off-target binding sites. |
J Med Chem 52: 7706-23 (2009) | AstraZeneca | 2D 3D TSV |
| 19954247 | 17 | A strategy to minimize reactive metabolite formation: discovery of (S)-4-(1-cyclopropyl-2-methoxyethyl)-6-[6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino]-5-oxo-4,5-dihydropyrazine-2-carbonitrile as a potent, orally bioavailable corticotropin-releasing factor-1 receptor antagonist. |
J Med Chem 52: 7653-68 (2009) | Bristol-Myers Squibb Company | 2D 3D TSV |
| 19951840 | 10 | Structure-activity relationships of the ultrapotent vanilloid resiniferatoxin (RTX): The side chain benzylic methylene. |
Bioorg Med Chem Lett 20: 97-9 (2010) | Universit£ del Piemonte Orientale | 2D 3D TSV |
| 19951839 | 42 | 3D QSAR studies on 3,4-dihydroquinazolines as T-type calcium channel blocker by comparative molecular similarity indices analysis (CoMSIA). |
Bioorg Med Chem Lett 20: 38-41 (2010) | Kyung Hee University | 2D 3D TSV |
| 19950901 | 23 | Selective p38alpha inhibitors clinically evaluated for the treatment of chronic inflammatory disorders. |
J Med Chem 53: 2345-53 (2010) | Roche Palo Alto | 2D 3D TSV |
| 19950900 | 18 | Discovery of 4-[(2S)-2-{[4-(4-chlorophenoxy)phenoxy]methyl}-1-pyrrolidinyl]butanoic acid (DG-051) as a novel leukotriene A4 hydrolase inhibitor of leukotriene B4 biosynthesis. |
J Med Chem 53: 573-85 (2010) | deCODE Chemistry, Inc. | 2D 3D TSV |
| 19949058 | 15 | Blockade of X4-tropic HIV-1 cellular entry by GSK812397, a potent noncompetitive CXCR4 receptor antagonist. |
Antimicrob Agents Chemother 54: 817-24 (2010) | GlaxoSmithKline Research and Development | 2D 3D TSV |
| 19948404 | 1 | Synthesis and anticancer activities of ageladine A and structural analogs. |
Bioorg Med Chem Lett 20: 83-6 (2010) | Beckman Research Institute at City of Hope | 2D 3D TSV |
| 19947601 | 24 | Synthesis, biological evaluation, X-ray structure, and pharmacokinetics of aminopyrimidine c-jun-N-terminal kinase (JNK) inhibitors. |
J Med Chem 53: 419-31 (2010) | and Translational Research Institute | 2D 3D TSV |
| 19945877 | 50 | Synthesis and biological activity of 5-styryl and 5-phenethyl-substituted 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoles. |
Bioorg Med Chem Lett 20: 78-82 (2010) | Chemical Diversity Research Institute | 2D 3D TSV |
| 19945875 | 31 | The discovery of tetrahydro-beta-carbolines as inhibitors of the kinesin Eg5. |
Bioorg Med Chem Lett 20: 157-60 (2010) | Novartis Institutes for Biomedical Research | 2D 3D TSV |
| 19945874 | 24 | Towards development of selective and reversible pyrazoline based MAO-inhibitors: Synthesis, biological evaluation and docking studies. |
Bioorg Med Chem Lett 20: 132-6 (2010) | Institute of Technology | 2D 3D TSV |
| 19945872 | 12 | Oxime derivatives related to AP18: Agonists and antagonists of the TRPA1 receptor. |
Bioorg Med Chem Lett 20: 276-9 (2010) | Renovis, Inc. | 2D 3D TSV |
| 19945871 | 62 | A novel chemotype of kinase inhibitors: Discovery of 3,4-ring fused 7-azaindoles and deazapurines as potent JAK2 inhibitors. |
Bioorg Med Chem Lett 20: 153-6 (2010) | Vertex Pharmaceuticals Inc. | 2D 3D TSV |
| 19945870 | 10 | Discovery of benzimidazole-diamide finger loop (Thumb Pocket I) allosteric inhibitors of HCV NS5B polymerase: Implementing parallel synthesis for rapid linker optimization. |
Bioorg Med Chem Lett 20: 196-200 (2010) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
| 19945869 | 7 | Pyrrole derivatives as potent inhibitors of lymphocyte-specific kinase: Structure, synthesis, and SAR. |
Bioorg Med Chem Lett 20: 108-11 (2010) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 19945867 | 39 | Ring-fused pyrazole derivatives as potent inhibitors of lymphocyte-specific kinase (Lck): Structure, synthesis, and SAR. |
Bioorg Med Chem Lett 20: 112-6 (2010) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 19945196 | 10 | Theoretical and structural analysis of the active site of the transcriptional regulators LasR and TraR, using molecular docking methodology for identifying potential analogues of acyl homoserine lactones (AHLs) with anti-quorum sensing activity. |
Eur J Med Chem 45: 608-15 (2010) | Universidad de Cartagena-Facultad de Ciencias Exactas y | 2D 3D TSV |
| 19942441 | 47 | Novel tumor-targeted RGD peptide-camptothecin conjugates: synthesis and biological evaluation. |
Bioorg Med Chem 18: 64-72 (2010) | Istituto di Ricerche Chimiche e Biochimiche G.Ronzoni | 2D 3D TSV |
| 19942433 | 8 | A single step purification for autolytic zinc proteinases. |
Bioorg Med Chem Lett 20: 280-2 (2010) | Duke University | 2D 3D TSV |
| 19939683 | 7 | Biotransformation of isoimperatorin and imperatorin by Glomerella cingulata and beta-secretase inhibitory activity. |
Bioorg Med Chem 18: 455-9 (2010) | Kinki University | 2D 3D TSV |
| 19939518 | 7 | Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase. |
Eur J Med Chem 45: 447-54 (2010) | The University of Queensland | 2D 3D TSV |
| 19939513 | 21 | 8-Sulfonyl-substituted tetrahydro-1H-pyrido[4,3-b]indoles as 5-HT6 receptor antagonists. |
Eur J Med Chem 45: 782-9 (2010) | Chemical Diversity Research Institute | 2D 3D TSV |
| 19938842 | 2 | The binding of synthetic retinoids to lipocalin beta-lactoglobulins. |
J Med Chem 53: 514-8 (2010) | University of Helsinki | 2D 3D TSV |
| 19933795 | 12 | SCY-635, a novel nonimmunosuppressive analog of cyclosporine that exhibits potent inhibition of hepatitis C virus RNA replication in vitro. |
Antimicrob Agents Chemother 54: 660-72 (2010) | Scynexis, Inc. | 2D 3D TSV |
| 19932972 | 80 | Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides: part II. |
Bioorg Med Chem 18: 190-201 (2010) | Wyeth Research | 2D 3D TSV |
| 19932968 | 12 | Isoxazole analogues bind the system xc- transporter: structure-activity relationship and pharmacophore model. |
Bioorg Med Chem 18: 202-13 (2010) | The University of Montana | 2D 3D TSV |
| 19932965 | 80 | Synthesis and structure-activity relationship of novel lactam-fused chroman derivatives having dual affinity at the 5-HT(1A) receptor and the serotonin transporter. |
Bioorg Med Chem Lett 20: 222-7 (2010) | Wyeth Research | 2D 3D TSV |
| 19932964 | 26 | Highly selective and potent mu opioid ligands by unexpected substituent on morphine skeleton. |
Bioorg Med Chem Lett 20: 418-21 (2010) | Fudan University | 2D 3D TSV |
| 19932963 | 6 | Addressing species specific metabolism and solubility issues in a quinoline series of oral PDE4 inhibitors. |
Bioorg Med Chem Lett 20: 137-40 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 19932960 | 47 | Novel lead for potent inhibitors of breast cancer resistance protein (BCRP). |
Bioorg Med Chem Lett 20: 180-3 (2010) | University of Bonn | 2D 3D TSV |
| 19932617 | 46 | 4-(3-Aryloxyaryl)quinoline sulfones are potent liver X receptor agonists. |
Bioorg Med Chem Lett 20: 209-12 (2010) | Wyeth Pharmaceuticals | 2D 3D TSV |
| 19932615 | 17 | Scaffold hopping from pyridones to imidazo[1,2-a]pyridines. New positive allosteric modulators of metabotropic glutamate 2 receptor. |
Bioorg Med Chem Lett 20: 175-9 (2010) | Janssen-Cilag S.A. | 2D 3D TSV |
| 19932528 | 29 | Synthesis and biological evaluation of novel 4-hydroxybenzaldehyde derivatives as tyrosinase inhibitors. |
Eur J Med Chem 45: 639-46 (2010) | Sun Yat-Sen University | 2D 3D TSV |
| 19931463 | 20 | Silicon switch approach in TRPV1 antagonist MK-056 and its analogues. |
Bioorg Med Chem 18: 111-6 (2010) | Sookmyung Women's University | 2D 3D TSV |
| 19931460 | 6 | Nanomolar affinity, iminosugar-based chemical probes for specific labeling of lysosomal glucocerebrosidase. |
Bioorg Med Chem 18: 267-73 (2010) | Utrecht University | 2D 3D TSV |
| 19931453 | 59 | Piperidyl amides as novel, potent and orally active mGlu5 receptor antagonists with anxiolytic-like activity. |
Bioorg Med Chem Lett 20: 184-8 (2010) | Novartis Institutes for Biomedical Research | 2D 3D TSV |
| 19928922 | 19 | Potent and orally active small-molecule inhibitors of the MDM2-p53 interaction. |
J Med Chem 52: 7970-3 (2009) | University of Michigan | 2D 3D TSV |
| 19928862 | 120 | Synthesis and opioid receptor binding affinities of 2-substituted and 3-aminomorphinans: ligands for mu, kappa, and delta opioid receptors. |
J Med Chem 53: 402-18 (2010) | Harvard Medical School | 2D 3D TSV |
| 19928859 | 14 | Design of O-acetylserine sulfhydrylase inhibitors by mimicking nature. |
J Med Chem 53: 345-56 (2010) | University of Parma | 2D 3D TSV |
| 19928858 | 77 | Displacement assay for the detection of stabilizers of inactive kinase conformations. |
J Med Chem 53: 357-67 (2010) | Chemical Genomics Centre of the Max Planck Society | 2D 3D TSV |
| 19928767 | 88 | Synthesis, affinity profile and functional activity of potent chiral muscarinic antagonists with a pyrrolidinylfuran structure. |
J Med Chem 53: 201-7 (2010) | Universita di Firenze | 2D 3D TSV |
| 19928766 | 425 | Novel bisaryl substituted thiazoles and oxazoles as highly potent and selective peroxisome proliferator-activated receptor delta agonists. |
J Med Chem 53: 77-105 (2010) | The Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
| 19926484 | 26 | Synthesis and in vitro evaluation of fluorinated diphenyloxide derivatives and sulfur analogs as serotonin transporter ligands. |
Bioorg Med Chem 18: 236-41 (2010) | INSERM | 2D 3D TSV |
| 19926477 | 100 | 2,4-Diaminopyrimidine MK2 inhibitors. Part II: Structure-based inhibitor optimization. |
Bioorg Med Chem Lett 20: 334-7 (2010) | Abbott Laboratories | 2D 3D TSV |
| 19926363 | 29 | Synthesis and inhibitory activity against human monoamine oxidase of N1-thiocarbamoyl-3,5-di(hetero)aryl-4,5-dihydro-(1H)-pyrazole derivatives. |
Eur J Med Chem 45: 800-4 (2010) | Universit£ di Roma | 2D 3D TSV |
| 19926282 | 136 | Improving the developability profile of pyrrolidine progesterone receptor partial agonists. |
Bioorg Med Chem Lett 20: 371-4 (2010) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 19926281 | 56 | Novel benzoylpiperidine-based stearoyl-CoA desaturase-1 inhibitors: Identification of 6-[4-(2-methylbenzoyl)piperidin-1-yl]pyridazine-3-carboxylic acid (2-hydroxy-2-pyridin-3-ylethyl)amide and its plasma triglyceride-lowering effects in Zucker fatty rats. |
Bioorg Med Chem Lett 20: 341-5 (2010) | Daiichi Sankyo Co. Ltd | 2D 3D TSV |
| 19924997 | 2 | X-ray crystallographic analysis of alpha-ketoheterocycle inhibitors bound to a humanized variant of fatty acid amide hydrolase. |
J Med Chem 53: 230-40 (2010) | The Scripps Research Institute | 2D 3D TSV |
| 19921781 | 220 | Indol-3-ylcycloalkyl ketones: effects of N1 substituted indole side chain variations on CB(2) cannabinoid receptor activity. |
J Med Chem 53: 295-315 (2010) | Abbott Laboratories | 2D 3D TSV |
| 19919896 | 7 | 2,4-Diaminopyrimidine MK2 inhibitors. Part I: Observation of an unexpected inhibitor binding mode. |
Bioorg Med Chem Lett 20: 330-3 (2010) | Abbott Laboratories | 2D 3D TSV |
| 19919895 | 54 | Novel sulfamoyl benzamides as selective CB(2) agonists with improved in vitro metabolic stability. |
Bioorg Med Chem Lett 20: 387-91 (2010) | Adolor Corporation | 2D 3D TSV |
| 19919106 | 2 | Chloro-substituted 3-alkylamino-4H-1,2,4-benzothiadiazine 1,1-dioxides as ATP-sensitive potassium channel activators: impact of the position of the chlorine atom on the aromatic ring on activity and tissue selectivity. |
J Med Chem 53: 147-54 (2010) | Universite de Liege | 2D 3D TSV |
| 19919087 | 55 | Identification of a brain penetrant PDE9A inhibitor utilizing prospective design and chemical enablement as a rapid lead optimization strategy. |
J Med Chem 52: 7946-9 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19916554 | 19 | Structure-based design of pteridine reductase inhibitors targeting African sleeping sickness and the leishmaniases. |
J Med Chem 53: 221-9 (2010) | University of Dundee | 2D 3D TSV |
| 19916528 | 3 | 5-OHKF and NorKA, depsipeptides from a Hawaiian collection of Bryopsis pennata: binding properties for NorKA to the human neuropeptide Y Y1 receptor. |
J Nat Prod 72: 2172-6 (2009) | The University of Mississippi | 2D 3D TSV |
| 19916508 | 76 | Morpholine derivatives greatly enhance the selectivity of mammalian target of rapamycin (mTOR) inhibitors. |
J Med Chem 52: 7942-5 (2009) | Wyeth Research | 2D 3D TSV |
| 19914837 | 74 | Synthesis and structure-activity relationships of N-benzyl-N-(X-2-hydroxybenzyl)-N'-phenylureas and thioureas as antitumor agents. |
Bioorg Med Chem 18: 305-13 (2010) | Nanjing University | 2D 3D TSV |
| 19914836 | 2 | Synthesis of glycyrrhetinic acid derivatives for the treatment of metabolic diseases. |
Bioorg Med Chem 18: 433-54 (2010) | Vienna University of Technology | 2D 3D TSV |
| 19914835 | 50 | Design, synthesis and biological evaluation of thiazolidinone derivatives as potential EGFR and HER-2 kinase inhibitors. |
Bioorg Med Chem 18: 314-9 (2010) | Nanjing University | 2D 3D TSV |
| 19914832 | 3 | Synthesis of a hydrolytically stable, fluorescent-labeled ATP analog as a tool for probing adenylyl cyclases. |
Bioorg Med Chem Lett 20: 232-5 (2010) | Ernst-Moritz-Arndt-University | 2D 3D TSV |
| 19914831 | 2 | p16(INK4a) Peptide mimetics identified via virtual screening. |
Bioorg Med Chem Lett 20: 403-5 (2010) | Veterans Affairs Medical Center | 2D 3D TSV |
| 19914829 | 7 | Benzylidene cyclopentenediones: First irreversible inhibitors against botulinum neurotoxin A's zinc endopeptidase. |
Bioorg Med Chem Lett 20: 206-8 (2010) | The Scripps Research Institute | 2D 3D TSV |
| 19914828 | 37 | 5-Lipoxygenase-activating protein inhibitors. Part 2: 3-{5-((S)-1-Acetyl-2,3-dihydro-1H-indol-2-ylmethoxy)-3-tert-butylsulfanyl-1-[4-(5-methoxy-pyrimidin-2-yl)-benzyl]-1H-indol-2-yl}-2,2-dimethyl-propionic acid (AM679)--a potent FLAP inhibitor. |
Bioorg Med Chem Lett 20: 213-7 (2010) | Amira Pharmaceuticals | 2D 3D TSV |
| 19914076 | 37 | Aminopyridinecarboxamide-based inhibitors: Structure-activity relationship. |
Bioorg Med Chem 18: 403-14 (2010) | Pfizer Inc | 2D 3D TSV |
| 19914068 | 66 | Pyrazolone based TGFbetaR1 kinase inhibitors. |
Bioorg Med Chem Lett 20: 326-9 (2010) | Biogen Idec Inc. | 2D 3D TSV |
| 19914066 | 48 | Application of ring-closing metathesis macrocyclization to the development of Tsg101-binding antagonists. |
Bioorg Med Chem Lett 20: 318-21 (2010) | National Cancer Institute-Frederick | 2D 3D TSV |
| 19914064 | 9 | Synthesis and antiplasmodial activity of novel 2,4-diaminopyrimidines. |
Bioorg Med Chem Lett 20: 228-31 (2010) | Institute Infectious Diseases Initiative | 2D 3D TSV |
| 19914063 | 84 | Design and synthesis of orally-active and selective azaindane 5HT2c agonist for the treatment of obesity. |
Bioorg Med Chem Lett 20: 266-71 (2010) | Pfizer Global Research and Development | 2D 3D TSV |
| 19913414 | 7 | Antimalarial activity of azadipeptide nitriles. |
Bioorg Med Chem Lett 20: 252-5 (2010) | University of Queensland | 2D 3D TSV |
| 19912058 | 11 | Dipeptide-derived nitriles containing additional electrophilic sites: potentially irreversible inhibitors of cysteine proteases. |
J Enzyme Inhib Med Chem 24: 1245-52 (2009) | Rheinische Friedrich-Wilhelms-Universitat | 2D 3D TSV |
| 19911821 | 273 | Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins. |
J Med Chem 53: 335-44 (2010) | Universita degli Studi di Firenze | 2D 3D TSV |
| 19911773 | 57 | Structure-activity relationship study of betulinic acid, a novel and selective TGR5 agonist, and its synthetic derivatives: potential impact in diabetes. |
J Med Chem 53: 178-90 (2010) | Universite Louis Pasteur | 2D 3D TSV |
| 19911771 | 4 | Synthesis and biological evaluation of new nanomolar competitive inhibitors of Helicobacter pylori type II dehydroquinase. Structural details of the role of the aromatic moieties with essential residues. |
J Med Chem 53: 191-200 (2010) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 19910191 | 46 | Discovery of orally available integrin alpha5beta1 antagonists. |
Bioorg Med Chem Lett 20: 380-2 (2010) | Jerini AG | 2D 3D TSV |
| 19908842 | 84 | Identification and optimization of inhibitors of Trypanosomal cysteine proteases: cruzain, rhodesain, and TbCatB. |
J Med Chem 53: 52-60 (2010) | National Human Genome Research Institute | 2D 3D TSV |
| 19908840 | 71 | Quantitative analyses of aggregation, autofluorescence, and reactivity artifacts in a screen for inhibitors of a thiol protease. |
J Med Chem 53: 37-51 (2010) | National Human Genome Research Institute | 2D 3D TSV |
| 19906530 | 22 | Discovery of potent, selective, and orally bioavailable PDE5 inhibitor: Methyl-4-(3-chloro-4-methoxybenzylamino)-8-(2-hydroxyethyl)-7-methoxyquinazolin-6-ylmethylcarbamate (CKD 533). |
Bioorg Med Chem Lett 20: 383-6 (2010) | Chong Kun Dang Research Institute | 2D 3D TSV |
| 19906529 | 22 | Identification of a series of substituted 2-piperazinyl-5-pyrimidylhydroxamic acids as potent histone deacetylase inhibitors. |
Bioorg Med Chem Lett 20: 294-8 (2010) | Ortho-Biotech Oncology Research& Development | 2D 3D TSV |
| 19906467 | 109 | Development of 5-benzylpaullones and paullone-9-carboxylic acid alkyl esters as selective inhibitors of mitochondrial malate dehydrogenase (mMDH). |
Eur J Med Chem 45: 335-42 (2010) | Technische Universit£t Braunschweig | 2D 3D TSV |
| 19906464 | 2 | Synthesis of aryl phosphates based on pyrimidine and triazine scaffolds. |
Eur J Med Chem 45: 244-55 (2010) | CNRS UMR 176 | 2D 3D TSV |
| 19904934 | 31 | 4-Oxo-beta-lactams (azetidine-2,4-diones) are potent and selective inhibitors of human leukocyte elastase. |
J Med Chem 53: 241-53 (2010) | University of Lisbon | 2D 3D TSV |
| 19902968 | 55 | Human P2Y(14) receptor agonists: truncation of the hexose moiety of uridine-5'-diphosphoglucose and its replacement with alkyl and aryl groups. |
J Med Chem 53: 471-80 (2010) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 19902958 | 24 | Solid phase synthesis of novel pyrrolidinedione analogs as potent HIV-1 integrase inhibitors. |
J Comb Chem 12: 84-90 (2010) | Bristol-Myers Squibb | 2D 3D TSV |
| 19902954 | 19 | Discovery of 3-aryl-4-isoxazolecarboxamides as TGR5 receptor agonists. |
J Med Chem 52: 7962-5 (2009) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 19901091 | 2 | Novel ambler class A carbapenem-hydrolyzing beta-lactamase from a Pseudomonas fluorescens isolate from the Seine River, Paris, France. |
Antimicrob Agents Chemother 54: 328-32 (2009) | Service de Bactériologie-Virologie, Hôpital de Bicêtre | 2D 3D TSV |
| 19900814 | 15 | Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part II: exploration of 6-6 fused rings as alternative S1 moieties. |
Bioorg Med Chem 17: 8221-33 (2009) | Daiichi Sankyo Co, Ltd | 2D 3D TSV |
| 19900813 | 12 | Optimization of (4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine-5-ylidene)acetamide derivatives as arginine vasopressin V2 receptor agonists and discussion of their binding modes. |
Bioorg Med Chem 17: 8161-7 (2009) | Astellas Pharma Inc. | 2D 3D TSV |
| 19900809 | 12 | Thyroid receptor agonists for the treatment of androgenetic alopecia. |
Bioorg Med Chem Lett 20: 306-8 (2010) | Pfizer Global Research& Development | 2D 3D TSV |
| 19899766 | 14 | Structural studies of pterin-based inhibitors of dihydropteroate synthase. |
J Med Chem 53: 166-77 (2010) | University of Tennessee Health Science Center | 2D 3D TSV |
| 19899765 | 69 | Phosphinic tripeptides as dual angiotensin-converting enzyme C-domain and endothelin-converting enzyme-1 inhibitors. |
J Med Chem 53: 208-20 (2010) | CEA, DSV, Service d'Ingenierie Moleculaire des Proteines (SIMOPRO) | 2D 3D TSV |
| 19897373 | 27 | Synthesis and structural optimization of multiple H-bonding region of diarylalkyl (thio)amides as novel TRPV1 antagonists. |
Bioorg Med Chem 17: 8149-60 (2009) | Seoul National University | 2D 3D TSV |
| 19897367 | 43 | Bioisosterism of urea-based GCPII inhibitors: Synthesis and structure-activity relationship studies. |
Bioorg Med Chem Lett 20: 392-7 (2010) | Institutions | 2D 3D TSV |
| 19897364 | 21 | Synthesis and in vivo evaluation of 3-substituted gababutins. |
Bioorg Med Chem Lett 20: 362-5 (2010) | Pfizer Global Research and Development | 2D 3D TSV |
| 19897362 | 52 | Discovery of 2-arylthieno[3,2-d]pyrimidines containing 8-oxa-3-azabi-cyclo[3.2.1]octane in the 4-position as potent inhibitors of mTOR with selectivity over PI3K. |
Bioorg Med Chem Lett 20: 375-9 (2010) | Wyeth Research | 2D 3D TSV |
| 19896847 | 36 | Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577. |
Bioorg Med Chem Lett 19: 6882-9 (2009) | Bristol-Myers Squibb Company | 2D 3D TSV |
| 19896846 | 44 | Synthesis and monoamine transporter affinity of 3alpha-arylmethoxy-3beta-arylnortropanes. |
Bioorg Med Chem Lett 19: 6865-8 (2009) | University of New Orleans | 2D 3D TSV |
| 19896845 | 54 | Incorporation of water-solubilizing groups in pyrazolopyrimidine mTOR inhibitors: discovery of highly potent and selective analogs with improved human microsomal stability. |
Bioorg Med Chem Lett 19: 6830-5 (2009) | Wyeth Research | 2D 3D TSV |
| 19896843 | 55 | Tetrahydroquinoline derivatives as CRTH2 antagonists. |
Bioorg Med Chem Lett 19: 6840-4 (2009) | Amgen Inc. | 2D 3D TSV |
| 19896842 | 54 | N3-arylmalonamides: a new series of thieno[3,2-b]pyridine based inhibitors of c-Met and VEGFR2 tyrosine kinases. |
Bioorg Med Chem Lett 19: 6836-9 (2009) | MethylGene Inc. | 2D 3D TSV |
| 19896386 | 85 | Properly substituted 1,4-dioxane nucleus favours the selective M3 muscarinic receptor activation. |
Bioorg Med Chem 17: 8174-85 (2009) | Universit£ di Camerino | 2D 3D TSV |
| 19896374 | 53 | Exploration of O-spiroketal C-arylglucosides as novel and selective renal sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors. |
Bioorg Med Chem Lett 19: 6877-81 (2009) | Chinese Academy of Sciences | 2D 3D TSV |
| 19895505 | 11 | Synthesis and pharmacological evaluation of analogs of indole-based cannabimimetic agents. |
Chem Biol Drug Des 75: 106-14 (2010) | Università di Napoli Federico II | 2D 3D TSV |
| 19895503 | 24 | Structural analysis of DFG-in and DFG-out dual Src-Abl inhibitors sharing a common vinyl purine template. |
Chem Biol Drug Des 75: 18-28 (2010) | ARIAD Pharmaceuticals Inc | 2D 3D TSV |
| 19894727 | 164 | Discovery of 4-morpholino-6-aryl-1H-pyrazolo[3,4-d]pyrimidines as highly potent and selective ATP-competitive inhibitors of the mammalian target of rapamycin (mTOR): optimization of the 6-aryl substituent. |
J Med Chem 52: 8010-24 (2009) | Wyeth Research | 2D 3D TSV |
| 19892442 | 62 | Three dimensional pharmacophore modelling for c-Kit receptor tyrosine kinase inhibitors. |
Eur J Med Chem 45: 393-404 (2010) | Punjabi University | 2D 3D TSV |
| 19891491 | 26 | Discovery of a 2,4-diamino-7-aminoalkoxyquinazoline as a potent and selective inhibitor of histone lysine methyltransferase G9a. |
J Med Chem 52: 7950-3 (2009) | University of North Carolina | 2D 3D TSV |
| 19891474 | 131 | 1,2,4-Triazolyl azabicyclo[3.1.0]hexanes: a new series of potent and selective dopamine D(3) receptor antagonists. |
J Med Chem 53: 374-91 (2010) | GlaxoSmithKline Medicines Research Centre | 2D 3D TSV |
| 19891440 | 57 | Discovery of trans-4-[1-[[2,5-Dichloro-4-(1-methyl-3-indolylcarboxamido)phenyl]acetyl]-(4S)-methoxy-(2S)-pyrrolidinylmethoxy]cyclohexanecarboxylic acid: an orally active, selective very late antigen-4 antagonist. |
J Med Chem 52: 7974-92 (2009) | Daiichi Sankyo Co., Ltd. | 2D 3D TSV |
| 19889540 | 76 | Structure-activity relationships of 6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)pyrido[2,3-d]pyrimidin-7-ones: toward selective Abl inhibitors. |
Bioorg Med Chem Lett 19: 6872-6 (2009) | Memorial Sloan-Kettering Cancer Center | 2D 3D TSV |
| 19889539 | 49 | Fragment-based discovery of selective inhibitors of the Mycobacterium tuberculosis protein tyrosine phosphatase PtpA. |
Bioorg Med Chem Lett 19: 6851-4 (2009) | University of California | 2D 3D TSV |
| 19889536 | 29 | Terpenoids. III: Synthesis and biological evaluation of 23-hydroxybetulinic acid derivatives as novel inhibitors of glycogen phosphorylase. |
Bioorg Med Chem Lett 19: 6966-9 (2009) | China Pharmaceutical University | 2D 3D TSV |
| 19888761 | 52 | Discovery of a novel Her-1/Her-2 dual tyrosine kinase inhibitor for the treatment of Her-1 selective inhibitor-resistant non-small cell lung cancer. |
J Med Chem 52: 6880-8 (2009) | Hanmi Research Center | 2D 3D TSV |
| 19888760 | 44 | Synthesis and evaluation of a new generation of orally efficacious benzimidazole-based poly(ADP-ribose) polymerase-1 (PARP-1) inhibitors as anticancer agents. |
J Med Chem 52: 6803-13 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19888759 | 42 | Identification of novel, selective, and stable inhibitors of class II histone deacetylases. Validation studies of the inhibition of the enzymatic activity of HDAC4 by small molecules as a novel approach for cancer therapy. |
J Med Chem 52: 6782-9 (2009) | Istituto Di Ricerche Di Biologia Molecolare | 2D 3D TSV |
| 19888758 | 55 | Multidentate small-molecule inhibitors of vaccinia H1-related (VHR) phosphatase decrease proliferation of cervix cancer cells. |
J Med Chem 52: 6716-23 (2009) | Institute for Medical Research | 2D 3D TSV |
| 19888757 | 30 | Constrained peptidomimetics reveal detailed geometric requirements of covalent prolyl oligopeptidase inhibitors. |
J Med Chem 52: 6672-84 (2009) | McGill University | 2D 3D TSV |
| 19888755 | 43 | Selective Kv1.5 blockers: development of (R)-1-(methylsulfonylamino)-3-[2-(4-methoxyphenyl)ethyl]-4-(4-methoxyphenyl)-2-imidazolidinone (KVI-020/WYE-160020) as a potential treatment for atrial arrhythmia. |
J Med Chem 52: 6531-4 (2009) | Wyeth Research | 2D 3D TSV |
| 19886628 | 6 | Binding ensemble profiling with photoaffinity labeling (BEProFL) approach: mapping the binding poses of HDAC8 inhibitors. |
J Med Chem 52: 7003-13 (2009) | University of Illinois at Chicago | 2D 3D TSV |
| 19886609 | 40 | Might adrenergic alpha2C-agonists/alpha2A-antagonists become novel therapeutic tools for pain treatment with morphine? |
J Med Chem 52: 7319-22 (2009) | Universita degli Studi di Camerino | 2D 3D TSV |
| 19884015 | 17 | Design, synthesis, and SAR of cis-1,2-diaminocyclohexane derivatives as potent factor Xa inhibitors. Part I: exploration of 5-6 fused rings as alternative S1 moieties. |
Bioorg Med Chem 17: 8206-20 (2009) | Daiichi Sankyo Co, Ltd | 2D 3D TSV |
| 19884013 | 98 | 5-Vinyl-3-pyridinecarbonitrile inhibitors of PKCtheta: optimization of enzymatic and functional activity. |
Bioorg Med Chem 17: 7933-48 (2009) | Wyeth Research | 2D 3D TSV |
| 19884011 | 15 | Discovery of benzo[g]indol-3-carboxylates as potent inhibitors of microsomal prostaglandin E(2) synthase-1. |
Bioorg Med Chem 17: 7924-32 (2009) | Eberhard Karls University Tuebingen | 2D 3D TSV |
| 19884006 | 47 | Hit to lead optimization of pyrazolo[1,5-a]pyrimidines as B-Raf kinase inhibitors. |
Bioorg Med Chem Lett 19: 6890-2 (2009) | Wyeth Research | 2D 3D TSV |
| 19884005 | 17 | Synthesis and biological evaluation of salicylic acid and N-acetyl-2-carboxybenzenesulfonamide regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity. |
Bioorg Med Chem Lett 19: 6855-61 (2009) | University of Alberta | 2D 3D TSV |
| 19884004 | 20 | 1-(2-Aminoethyl)-3-(arylsulfonyl)-1H-pyrrolopyridines are 5-HT(6) receptor ligands. |
Bioorg Med Chem Lett 19: 6935-8 (2009) | Wyeth Research | 2D 3D TSV |
| 19883244 | 8 | 3-arylidene-5-(4-isobutylphenyl)-2(3H)-furanones: a new series of anti-inflammatory and analgesic compounds having antimicrobial activity. |
J Enzyme Inhib Med Chem 25: 323-30 (2010) | Jamia Hamdard | 2D 3D TSV |
| 19883100 | 3 | Biaryl ethers as novel non-nucleoside reverse transcriptase inhibitors with improved potency against key mutant viruses. |
J Med Chem 52: 7163-9 (2009) | Merck Research Laboratory | 2D 3D TSV |
| 19883085 | 86 | Bis(dialkylaminethiocarbonyl)disulfides as potent and selective monoglyceride lipase inhibitors. |
J Med Chem 52: 7310-4 (2009) | Universite Catholique de Louvain | 2D 3D TSV |
| 19883083 | 1 | 4-Pregnen-21-ol-3,20-dione-21-(4-bromobenzenesulfonate) (NSC 88915) and related novel steroid derivatives as tyrosyl-DNA phosphodiesterase (Tdp1) inhibitors. |
J Med Chem 52: 7122-31 (2009) | National Cancer Institute | 2D 3D TSV |
| 19883081 | 52 | Discovery of novel benzoxazinones as potent and orally active long chain fatty acid elongase 6 inhibitors. |
J Med Chem 52: 7289-300 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19880322 | 56 | N-acylpolyamine inhibitors of HDM2 and HDMX binding to p53. |
Bioorg Med Chem 17: 7884-93 (2009) | NIH | 2D 3D TSV |
| 19880317 | 50 | COX, LOX and platelet aggregation inhibitory properties of Lauraceae neolignans. |
Bioorg Med Chem Lett 19: 6922-5 (2009) | Universidad Nacional de Colombia | 2D 3D TSV |
| 19879767 | 5 | Spare interactions of highly potent [Arg(14),Lys(15)]nociceptin for cooperative induction of ORL1 receptor activation. |
Bioorg Med Chem 17: 7904-8 (2009) | Kyushu University | 2D 3D TSV |
| 19879766 | 11 | Synthesis and HMG-CoA reductase inhibition of 2-cyclopropyl-4-thiophenyl-quinoline mevalonolactones. |
Bioorg Med Chem 17: 7915-23 (2009) | Institute of Pharmaceutical Industry | 2D 3D TSV |
| 19879752 | 12 | Identification of novel agonists of the integrin CD11b/CD18. |
Bioorg Med Chem Lett 19: 6902-6 (2009) | Department of Medicine and University of Miami | 2D 3D TSV |
| 19879673 | 18 | Synthesis and preliminary biological evaluation of new derivatives of the marine alkaloid leucettamine B as kinase inhibitors. |
Eur J Med Chem 45: 805-10 (2010) | TBA | 2D 3D TSV |
| 19879672 | 16 | Structural aspects of flavonoids as inhibitors of human butyrylcholinesterase. |
Eur J Med Chem 45: 186-92 (2010) | Institute for Medical Research and Occupational Health | 2D 3D TSV |
| 19879669 | 3 | Identification of (beta-carboxyethyl)-rhodanine derivatives exhibiting peroxisome proliferator-activated receptor gamma activity. |
Eur J Med Chem 45: 193-202 (2010) | Sookmyung Women's University | 2D 3D TSV |
| 19879151 | 58 | Design and synthesis of N(6)-substituted-4'-thioadenosine-5'-uronamides as potent and selective human A(3) adenosine receptor agonists. |
Bioorg Med Chem 17: 8003-11 (2009) | Ewha Womans University | 2D 3D TSV |
| 19879134 | 94 | Imidazo[1,2-a]pyrazine diaryl ureas: inhibitors of the receptor tyrosine kinase EphB4. |
Bioorg Med Chem Lett 19: 6991-5 (2009) | CGI Pharmaceuticals, Inc. | 2D 3D TSV |
| 19879023 | 1 | Synthesis and cytotoxic activity of 2-methylimidazo[1,2-a]pyridine- and quinoline-substituted 2-aminopyrimidine derivatives. |
Eur J Med Chem 45: 379-86 (2010) | Universidad Nacional Aut£noma de M£xico | 2D 3D TSV |
| 19877692 | 58 | Synthesis and biological evaluation of coumarin-based inhibitors of NAD(P)H: quinone oxidoreductase-1 (NQO1). |
J Med Chem 52: 7142-56 (2009) | University of Manchester | 2D 3D TSV |
| 19877691 | 36 | beta-Lactams derived from a carbapenem chiron are selective inhibitors of human fatty acid amide hydrolase versus human monoacylglycerol lipase. |
J Med Chem 52: 7054-68 (2009) | Universite Catholique de Louvain | 2D 3D TSV |
| 19877644 | 6 | Identification of death-associated protein kinases inhibitors using structure-based virtual screening. |
J Med Chem 52: 7323-7 (2009) | PharmaDesign, Inc. | 2D 3D TSV |
| 19877603 | 51 | Identification and Biological Evaluation of a Series of 1H-Benzo[de]isoquinoline-1,3(2H)-diones as Hepatitis C Virus NS5B Polymerase Inhibitors. |
J Med Chem 52: 5217-27 (2009) | IRBM-MRL Rome | 2D 3D TSV |
| 19875298 | 5 | The spirocyclopropyl moiety as a methyl surrogate in the structure of l-fucosidase and l-rhamnosidase inhibitors. |
Bioorg Med Chem 17: 8020-6 (2009) | Universit£ de Reims Champagne-Ardenne | 2D 3D TSV |
| 19875287 | 56 | Synthesis and SAR of novel, non-MPEP chemotype mGluR5 NAMs identified by functional HTS. |
Bioorg Med Chem Lett 19: 6502-6 (2009) | Vanderbilt University Medical Center | 2D 3D TSV |
| 19875286 | 44 | Use of 5-hydroxy-4H-benzo[1,4]oxazin-3-ones as beta2-adrenoceptor agonists. |
Bioorg Med Chem Lett 19: 6640-4 (2009) | Boehringer Ingelheim Pharma GmbH& Co KG | 2D 3D TSV |
| 19875283 | 41 | Novel pyrazolopyrimidines as highly potent B-Raf inhibitors. |
Bioorg Med Chem Lett 19: 6957-61 (2009) | Wyeth Research | 2D 3D TSV |
| 19875281 | 73 | Synthesis and biological evaluation of piperazinyl carbamates and ureas as fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channel dual ligands. |
Bioorg Med Chem Lett 19: 6806-9 (2009) | Sapienza Universit£ di Roma | 2D 3D TSV |
| 19875205 | 4 | Sigma-1 ligands: Tic-hydantoin as a key pharmacophore. |
Eur J Med Chem 45: 256-63 (2010) | UMR CNRS 8161-Universit£ Lille Nord de France-Institut Pasteur de Lille | 2D 3D TSV |
| 19875078 | 5 | Discovery of potent and reversible monoacylglycerol lipase inhibitors. |
Chem Biol 16: 1045-52 (2009) | University of California Irvine | 2D 3D TSV |
| 19874209 | 11 | New insights into homopiperazine-based 5-HT1A/5-HT7R ligands: synthesis and biological evaluation. |
J Enzyme Inhib Med Chem 25: 301-5 (2010) | University of Orléans | 2D 3D TSV |
| 19874206 | 5 | Synthesis and biological activity of progesterone derivatives as 5alpha-reductase inhibitors, and their effect on hamster prostate weight. |
J Enzyme Inhib Med Chem 25: 306-11 (2010) | Universidad Nacional Autónoma de México | 2D 3D TSV |
| 19874137 | 3 | Inhibitory effects of thioethers on fatty acid synthase and 3T3-L1 cells. |
J Enzyme Inhib Med Chem 25: 290-5 (2010) | Graduate University of Chinese Academy of Sciences | 2D 3D TSV |
| 19874136 | 84 | Synthesis and biological evaluation of biguanide and dihydrotriazine derivatives as potential inhibitors of dihydrofolate reductase of opportunistic microorganisms. |
J Enzyme Inhib Med Chem 25: 331-9 (2010) | Institute of Chemical Technology | 2D 3D TSV |
| 19873981 | 34 | Discovery of 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide (MK-4827): a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors. |
J Med Chem 52: 7170-85 (2009) | IRBM/Merck Research Labs Rome | 2D 3D TSV |
| 19864136 | 45 | Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors. |
Bioorg Med Chem Lett 19: 6519-23 (2009) | Wyeth Research | 2D 3D TSV |
| 19864135 | 43 | Discovery and SAR of cyclic isothioureas as novel NPY Y1 receptor antagonists. |
Bioorg Med Chem Lett 19: 6801-5 (2009) | Schering Plough Research Institute | 2D 3D TSV |
| 19864133 | 42 | 2-Amino-5-aryl-pyridines as selective CB2 agonists: synthesis and investigation of structure-activity relationships. |
Bioorg Med Chem Lett 19: 6578-81 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19864132 | 26 | 5-Aryl indanones and derivatives as non-steroidal progesterone receptor modulators. |
Bioorg Med Chem Lett 19: 6666-9 (2009) | Wyeth Research | 2D 3D TSV |
| 19864130 | 26 | Design and synthesis of 6-oxo-1,6-dihydropyridines as CDK5 inhibitors. |
Bioorg Med Chem Lett 19: 6591-4 (2009) | Amgen Inc | 2D 3D TSV |
| 19863083 | 25 | The lecanindoles, nonsteroidal progestins from the terrestrial fungus Verticillium lecanii 6144. |
J Nat Prod 72: 1944-8 (2009) | Wyeth Research | 2D 3D TSV |
| 19863057 | 47 | Inhibitors for human glutaminyl cyclase by structure based design and bioisosteric replacement. |
J Med Chem 52: 7069-80 (2009) | Probiodrug AG | 2D 3D TSV |
| 19861238 | 14 | Synthesis and biological evaluation of the metabolites of 2-(1-{3-[(6-chloronaphthalen-2-yl)sulfonyl]propanoyl}piperidin-4-yl)-5-methyl-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one. |
Bioorg Med Chem 17: 7993-8002 (2009) | Takeda Pharmaceutical Company, Ltd | 2D 3D TSV |
| 19860432 | 42 | alphavbeta3 Integrin-targeting Arg-Gly-Asp (RGD) peptidomimetics containing oligoethylene glycol (OEG) spacers. |
J Med Chem 52: 7029-43 (2009) | Universite Catholique de Louvain | 2D 3D TSV |
| 19860431 | 1 | chi-Conopeptide pharmacophore development: toward a novel class of norepinephrine transporter inhibitor (Xen2174) for pain. |
J Med Chem 52: 6991-7002 (2009) | Xenome Ltd. | 2D 3D TSV |
| 19857969 | 6 | Structural basis of the selectivity of the beta(2)-adrenergic receptor for fluorinated catecholamines. |
Bioorg Med Chem 17: 7987-92 (2009) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 19857967 | 103 | 2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2. |
Bioorg Med Chem Lett 19: 6529-33 (2009) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 19857966 | 62 | Discovery of pyrazol-3-ylamino pyrazines as novel JAK2 inhibitors. |
Bioorg Med Chem Lett 19: 6524-8 (2009) | AstraZeneca R&D Boston | 2D 3D TSV |
| 19857964 | 3 | Structural basis for the inhibitor recognition of human Lyn kinase domain. |
Bioorg Med Chem Lett 19: 6557-60 (2009) | Osaka Prefecture University | 2D 3D TSV |
| 19856966 | 12 | (1-(4-(Naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine: a wingless beta-catenin agonist that increases bone formation rate. |
J Med Chem 52: 6962-5 (2009) | Wyeth Research | 2D 3D TSV |
| 19856955 | 2 | Lorneic acids, trialkyl-substituted aromatic acids from a marine-derived actinomycete. |
J Nat Prod 72: 2046-8 (2009) | Nippon Suisan Kaisha, Ltd | 2D 3D TSV |
| 19856923 | 40 | Neuroprotective and cholinergic properties of multifunctional glutamic acid derivatives for the treatment of Alzheimer's disease. |
J Med Chem 52: 7249-57 (2009) | Instituto de Quimica Medica (CSIC) | 2D 3D TSV |
| 19856921 | 21 | Synthesis, structure-activity relationships, and characterization of novel nonsteroidal and selective androgen receptor modulators. |
J Med Chem 52: 7186-91 (2009) | ACADIA Pharmaceuticals AB | 2D 3D TSV |
| 19856920 | 10 | Discovery and optimization of chromenotriazolopyrimidines as potent inhibitors of the mouse double minute 2-tumor protein 53 protein-protein interaction. |
J Med Chem 52: 7044-53 (2009) | Amgen Inc. | 2D 3D TSV |
| 19854650 | 70 | Heterobiaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part II. |
Bioorg Med Chem Lett 19: 6613-7 (2009) | AMRI | 2D 3D TSV |
| 19854649 | 49 | Discovery of highly potent and selective type I B-Raf kinase inhibitors. |
Bioorg Med Chem Lett 19: 6571-4 (2009) | Wyeth Research | 2D 3D TSV |
| 19854648 | 28 | Discovery of the first known small-molecule inhibitors of heme-regulated eukaryotic initiation factor 2alpha (HRI) kinase. |
Bioorg Med Chem Lett 19: 6548-51 (2009) | Johnson& Johnson Pharmaceutical Research and Development | 2D 3D TSV |
| 19854647 | 17 | Novel thienopyrimidine and thiazolopyrimidine kinase inhibitors with activity against Tie-2 in vitro and in vivo. |
Bioorg Med Chem Lett 19: 6670-4 (2009) | AstraZeneca | 2D 3D TSV |
| 19854645 | 87 | Synthesis and PKCtheta inhibitory activity of a series of 5-vinyl phenyl sulfonamide-3-pyridinecarbonitriles. |
Bioorg Med Chem Lett 19: 6575-7 (2009) | Wyeth Research | 2D 3D TSV |
| 19854643 | 8 | Design and synthesis of novel histone deacetylase inhibitor derived from nuclear localization signal peptide. |
Bioorg Med Chem Lett 19: 6588-90 (2009) | School of Chemistry and Biochemistry | 2D 3D TSV |
| 19854054 | 18 | Nitric oxide-donating carbonic anhydrase inhibitors for the treatment of open-angle glaucoma. |
Bioorg Med Chem Lett 19: 6565-70 (2009) | NicOx Research Institute | 2D 3D TSV |
| 19854053 | 152 | Discovery and pharmacological characterization of aryl piperazine and piperidine ethers as dual acting norepinephrine reuptake inhibitors and 5-HT1A partial agonists. |
Bioorg Med Chem Lett 19: 6604-7 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19854052 | 420 | Discovery of pyrimidine benzimidazoles as Src-family selective Lck inhibitors. Part II. |
Bioorg Med Chem Lett 19: 6691-5 (2009) | Genomics Institute of the Novartis Research Foundation (GNF) | 2D 3D TSV |
| 19854051 | 56 | N-(4-(6,7-Disubstituted-quinolin-4-yloxy)-3-fluorophenyl)-2-oxo-3-phenylimidazolidine-1-carboxamides: a novel series of dual c-Met/VEGFR2 receptor tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 19: 6552-6 (2009) | MethylGene Inc | 2D 3D TSV |
| 19854049 | 49 | Discovery and SAR of 6-substituted-4-anilinoquinazolines as non-competitive antagonists of mGlu5. |
Bioorg Med Chem Lett 19: 6623-6 (2009) | Vanderbilt University Medical Center | 2D 3D TSV |
| 19854048 | 3 | Discovery of novel non-peptide inhibitors of BACE-1 using virtual high-throughput screening. |
Bioorg Med Chem Lett 19: 6770-4 (2009) | University of Leeds | 2D 3D TSV |
| 19853462 | 34 | 4-(3-aryloxyaryl)quinoline alcohols are liver X receptor agonists. |
Bioorg Med Chem 17: 8086-92 (2009) | Wyeth Research | 2D 3D TSV |
| 19853443 | 6 | (4-Piperidinyl)-piperazine: a new platform for acetyl-CoA carboxylase inhibitors. |
Bioorg Med Chem Lett 19: 6645-8 (2009) | Taisho Pharmaceutical Co, Ltd | 2D 3D TSV |
| 19853442 | 35 | New classes of potent and bioavailable human renin inhibitors. |
Bioorg Med Chem Lett 19: 6762-5 (2009) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
| 19853441 | 16 | Synthesis and evaluation of D-gluco-pyranocyclopropyl amines as potential glucosidase inhibitors. |
Bioorg Med Chem Lett 19: 6600-3 (2009) | Leiden University | 2D 3D TSV |
| 19853439 | 21 | Novel biphenylcarboxylic acid peroxisome proliferator-activated receptor (PPAR) delta selective antagonists. |
Bioorg Med Chem Lett 19: 6595-9 (2009) | The University of Tokyo | 2D 3D TSV |
| 19850474 | 5 | Mining biologically-active molecules for inhibitors of fatty acid amide hydrolase (FAAH): identification of phenmedipham and amperozide as FAAH inhibitors. |
Bioorg Med Chem Lett 19: 6793-6 (2009) | Renovis, Inc | 2D 3D TSV |
| 19850473 | 30 | Pentacycle derivatives as cannabinoid CB1 receptor ligands. |
Bioorg Med Chem Lett 19: 6632-6 (2009) | Green Cross Corporation | 2D 3D TSV |
| 19848434 | 27 | Using enzyme assays to evaluate the structure and bioactivity of sponge-derived meroterpenes. |
J Nat Prod 72: 1857-63 (2009) | University of California Santa Cruz | 2D 3D TSV |
| 19848405 | 42 | Aza-peptidyl Michael acceptor and epoxide inhibitors--potent and selective inhibitors of Schistosoma mansoni and Ixodes ricinus legumains (asparaginyl endopeptidases). |
J Med Chem 52: 7192-210 (2009) | Georgia Institute of Technology | 2D 3D TSV |
| 19848404 | 44 | Discovery of potent and selective inhibitors of the mammalian target of rapamycin (mTOR) kinase. |
J Med Chem 52: 7081-9 (2009) | Wyeth Research | 2D 3D TSV |
| 19846305 | 86 | Biaryl purine derivatives as potent antiproliferative agents: inhibitors of cyclin dependent kinases. Part I. |
Bioorg Med Chem Lett 19: 6608-12 (2009) | AMRI | 2D 3D TSV |
| 19846303 | 59 | Synthesis and biological evaluation of heterocyclic ring-substituted maslinic acid derivatives as novel inhibitors of protein tyrosine phosphatase 1B. |
Bioorg Med Chem Lett 19: 6618-22 (2009) | East China Normal University | 2D 3D TSV |
| 19846301 | 75 | Carbonic anhydrase inhibitors. Characterization and inhibition studies of the most active beta-carbonic anhydrase from Mycobacterium tuberculosis, Rv3588c. |
Bioorg Med Chem Lett 19: 6649-54 (2009) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 19846299 | 52 | Histamine H3 and H4 receptor affinity of branched 3-(1H-imidazol-4-yl)propyl N-alkylcarbamates. |
Bioorg Med Chem Lett 19: 6682-5 (2009) | Jagiellonian University Medical College | 2D 3D TSV |
| 19846298 | 119 | Evaluation of basic, heterocyclic ring systems as templates for use as potassium competitive acid blockers (pCABs). |
Bioorg Med Chem Lett 19: 6813-7 (2009) | GlaxoSmithKline R&D | 2D 3D TSV |
| 19846295 | 8 | Protein tyrosine phosphatase 1B inhibitors isolated from Morus bombycis. |
Bioorg Med Chem Lett 19: 6759-61 (2009) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
| 19846239 | 24 | Application of desirability-based multi(bi)-objective optimization in the design of selective arylpiperazine derivates for the 5-HT1A serotonin receptor. |
Eur J Med Chem 44: 5045-54 (2009) | University of Porto | 2D 3D TSV |
| 19843080 | 43 | The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay. |
Chem Biol Drug Des 74: 547-59 (2009) | Pfizer Inc. | 2D 3D TSV |
| 19842944 | 6 | Inactivation of acetylcholinesterase by various fluorophores. |
J Enzyme Inhib Med Chem 25: 116-20 (2010) | The University of Montana | 2D 3D TSV |
| 19842669 | 34 | 14beta-Arylpropiolylamino-17-cyclopropylmethyl-7,8-dihydronormorphinones and related opioids. Further examples of pseudoirreversible mu opioid receptor antagonists. |
J Med Chem 52: 6926-30 (2009) | University of Bristol | 2D 3D TSV |
| 19842661 | 140 | Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as potent, highly selective, and orally bioavailable inhibitors of the human protooncogene proviral insertion site in moloney murine leukemia virus (PIM) kinases. |
J Med Chem 52: 6621-36 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19842660 | 49 | Exploring the importance of piperazine N-atoms for sigma(2) receptor affinity and activity in a series of analogs of 1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PB28). |
J Med Chem 52: 7817-28 (2009) | Universita degli Studi di Bari | 2D 3D TSV |
| 19841155 | 29 | MK-7009, a potent and selective inhibitor of hepatitis C virus NS3/4A protease. |
Antimicrob Agents Chemother 54: 305-11 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19839643 | 11 | Hepatitis C virus NS3 protease is activated by low concentrations of protease inhibitors. |
Biochemistry 48: 11592-602 (2009) | Uppsala University | 2D 3D TSV |
| 19839614 | 20 | Cytotoxic xanthone constituents of the stem bark of Garcinia mangostana (mangosteen). |
J Nat Prod 72: 2028-31 (2009) | The Ohio State University | 2D 3D TSV |
| 19839593 | 4 | Tea catechins inhibit hepatocyte growth factor receptor (MET kinase) activity in human colon cancer cells: kinetic and molecular docking studies. |
J Med Chem 52: 6543-5 (2009) | Oregon State University | 2D 3D TSV |
| 19839592 | 37 | Synthesis and biological evaluation of 2-alkynyl-N6-methyl-5'-N-methylcarboxamidoadenosine derivatives as potent and highly selective agonists for the human adenosine A3 receptor. |
J Med Chem 52: 7897-900 (2009) | University of Camerino | 2D 3D TSV |
| 19837589 | 52 | Benzothiazoles as Rho-associated kinase (ROCK-II) inhibitors. |
Bioorg Med Chem Lett 19: 6686-90 (2009) | Translational Research Institute and Department of Molecular Therapeutics | 2D 3D TSV |
| 19837585 | 46 | Evaluation of substituted 6-arylquinazolin-4-amines as potent and selective inhibitors of cdc2-like kinases (Clk). |
Bioorg Med Chem Lett 19: 6700-5 (2009) | National Human Genome Research Institute | 2D 3D TSV |
| 19836951 | 33 | 1,2-Diamines as inhibitors of co-activator associated arginine methyltransferase 1 (CARM1). |
Bioorg Med Chem Lett 19: 6725-32 (2009) | MethylGene Inc | 2D 3D TSV |
| 19836950 | 9 | Design, synthesis and biological evaluation of a bivalent micro opiate and adenosine A1 receptor antagonist. |
Bioorg Med Chem Lett 19: 6736-9 (2009) | Aix-Marseille Universit£ | 2D 3D TSV |
| 19836949 | 31 | Structure-based design, synthesis and in vitro characterization of potent 17beta-hydroxysteroid dehydrogenase type 1 inhibitors based on 2-substitutions of estrone and D-homo-estrone. |
Bioorg Med Chem Lett 19: 6740-4 (2009) | Institute of Experimental Genetics | 2D 3D TSV |
| 19836860 | 5 | Discovery of colon tumor cell growth inhibitory agents through a combinatorial approach. |
Eur J Med Chem 45: 90-7 (2010) | German University in Cairo | 2D 3D TSV |
| 19836248 | 35 | 3,4-Dihydropyrimido(1,2-a)indol-10(2H)-ones as potent non-peptidic inhibitors of caspase-3. |
Bioorg Med Chem 17: 7755-68 (2009) | Wyeth Research | 2D 3D TSV |
| 19836247 | 49 | Dual acting norepinephrine reuptake inhibitors and 5-HT(2A) receptor antagonists: Identification, synthesis and activity of novel 4-aminoethyl-3-(phenylsulfonyl)-1H-indoles. |
Bioorg Med Chem 17: 7802-15 (2009) | Wyeth Research | 2D 3D TSV |
| 19836235 | 8 | Design, synthesis and biological evaluation of novel thiazole derivatives as potent FabH inhibitors. |
Bioorg Med Chem Lett 19: 6750-4 (2009) | Nanjing University | 2D 3D TSV |
| 19836234 | 46 | 2-Benzimidazolyl-9-(chroman-4-yl)-purinone derivatives as JAK3 inhibitors. |
Bioorg Med Chem Lett 19: 6788-92 (2009) | Ligand Pharmaceuticals, Inc | 2D 3D TSV |
| 19836233 | 31 | Heterocyclic 1,7-disubstituted indole sulfonamides are potent and selective human EP3 receptor antagonists. |
Bioorg Med Chem Lett 19: 6797-800 (2009) | deCODE Chemistry, Inc | 2D 3D TSV |
| 19836232 | 48 | Lead optimization and structure-based design of potent and bioavailable deoxycytidine kinase inhibitors. |
Bioorg Med Chem Lett 19: 6784-7 (2009) | Princ | 2D 3D TSV |
| 19836230 | 17 | Cytotoxic and PTP1B inhibitory activities from Erythrina abyssinica. |
Bioorg Med Chem Lett 19: 6745-9 (2009) | Chosun University | 2D 3D TSV |
| 19836229 | 66 | 5-Fluorocytosine derivatives as inhibitors of deoxycytidine kinase. |
Bioorg Med Chem Lett 19: 6780-3 (2009) | Princ | 2D 3D TSV |
| 19835391 | 4 | Total synthesis of (-)-uniflorine A. |
J Nat Prod 72: 2058-60 (2009) | Universit£ di Firenze | 2D 3D TSV |
| 19835382 | 18 | Discovery and optimization of substituted 1-(1-phenyl-1H-pyrazol-3-yl)methanamines as potent and efficacious type II calcimimetics. |
J Med Chem 52: 6535-8 (2009) | Amgen Inc. | 2D 3D TSV |
| 19833514 | 104 | The design of potent and selective inhibitors of DPP-4: optimization of ADME properties by amide replacements. |
Bioorg Med Chem Lett 19: 6340-5 (2009) | Santhera Pharmaceuticals (Switzerland) Ltd | 2D 3D TSV |
| 19831400 | 47 | Novel, potent, and selective quinoxaline-based 5-HT(3) receptor ligands. 1. Further structure-activity relationships and pharmacological characterization. |
J Med Chem 52: 6946-50 (2009) | European Research Centre for Drug Discovery and Development | 2D 3D TSV |
| 19831396 | 84 | New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitory activity and selectivity. |
J Med Chem 52: 6724-43 (2009) | Saarland University | 2D 3D TSV |
| 19831390 | 54 | Novel class of LIM-kinase 2 inhibitors for the treatment of ocular hypertension and associated glaucoma. |
J Med Chem 52: 6515-8 (2009) | Princ | 2D 3D TSV |
| 19828449 | 4 | Chemical validation of trypanothione synthetase: a potential drug target for human trypanosomiasis. |
J Biol Chem 284: 36137-45 (2009) | University of Dundee | 2D 3D TSV |
| 19827837 | 52 | S-glycosyl primary sulfonamides--a new structural class for selective inhibition of cancer-associated carbonic anhydrases. |
J Med Chem 52: 6421-32 (2009) | Griffith University | 2D 3D TSV |
| 19827834 | 93 | Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control. |
J Med Chem 52: 6362-8 (2009) | Vertex | 2D 3D TSV |
| 19827831 | 83 | Discovery of 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]pyrrole-2,5-dione (AEB071), a potent and selective inhibitor of protein kinase C isotypes. |
J Med Chem 52: 6193-6 (2009) | Novartis | 2D 3D TSV |
| 19827752 | 8 | Preparation and structural, biochemical, and pharmaceutical characterizations of bile acid-modified long-acting exendin-4 derivatives. |
J Med Chem 52: 6889-96 (2009) | SungKyunKwan University | 2D 3D TSV |
| 19827751 | 21 | New selective phosphodiesterase 4D inhibitors differently acting on long, short, and supershort isoforms. |
J Med Chem 52: 6546-57 (2009) | University of Genoa | 2D 3D TSV |
| 19827750 | 39 | Agonist vs antagonist behavior of delta opioid peptides containing novel phenylalanine analogues in place of Tyr(1). |
J Med Chem 52: 6941-5 (2009) | Clinical Research Institute of Montreal | 2D 3D TSV |
| 19827080 | 10 | A fragment-based approach to probing adenosine recognition sites by using dynamic combinatorial chemistry. |
Chembiochem 10: 2772-9 (2009) | University of Cambridge | 2D 3D TSV |
| 19824891 | 36 | Carbonic anhydrase inhibitors: glycosylsulfanilamides act as subnanomolar inhibitors of the human secreted isoform VI. |
Chem Biol Drug Des 74: 636-9 (2009) | Institut des Biomolécules Max Mousseron (IBMM) | 2D 3D TSV |
| 19824648 | 19 | Synthesis and biological evaluation of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1) inhibitors based on a thieno[2,3-d]pyrimidin-4(3H)-one core. |
J Med Chem 52: 6660-71 (2009) | FIN-00014 University of Helsinki | 2D 3D TSV |
| 19824618 | 1 | Aspergillusol A, an alpha-glucosidase inhibitor from the marine-derived fungus Aspergillus aculeatus. |
J Nat Prod 72: 2049-52 (2009) | Institute and the Center for Environmental Health | 2D 3D TSV |
| 19822433 | 2 | Synthesis and radiopharmacological investigation of 3-[4'-[(18)F]fluorobenzylidene]indolin-2-one as possible tyrosine kinase inhibitor. |
Bioorg Med Chem 17: 7732-42 (2009) | Institute of Radiopharmacy | 2D 3D TSV |
| 19822432 | 9 | Structure-based virtual screening approach to the discovery of novel inhibitors of factor-inhibiting HIF-1: identification of new chelating groups for the active-site ferrous ion. |
Bioorg Med Chem 17: 7769-74 (2009) | Sejong University | 2D 3D TSV |
| 19822431 | 13 | 1,3,4-Oxadiazole-2(3H)-thione and its analogues: a new class of non-competitive nucleotide pyrophosphatases/phosphodiesterases 1 inhibitors. |
Bioorg Med Chem 17: 7816-22 (2009) | University of Karachi | 2D 3D TSV |
| 19822427 | 21 | Inhibitors of bacterial N-succinyl-L,L-diaminopimelic acid desuccinylase (DapE) and demonstration of in vitro antimicrobial activity. |
Bioorg Med Chem Lett 19: 6350-2 (2009) | Loyola University | 2D 3D TSV |
| 19822426 | 4 | Novel N-hydroxybenzamide-based HDAC inhibitors with branched CAP group. |
Bioorg Med Chem Lett 19: 6284-8 (2009) | China Pharmaceutical University | 2D 3D TSV |
| 19822424 | 4 | Synthesis and biological evaluation of p38alpha kinase-targeting dialkynylimidazoles. |
Bioorg Med Chem Lett 19: 6293-7 (2009) | The University of Texas at Austin | 2D 3D TSV |
| 19821577 | 178 | Synthesis and biological evaluation of bupropion analogues as potential pharmacotherapies for cocaine addiction. |
J Med Chem 52: 6768-81 (2009) | Research Triangle Institute | 2D 3D TSV |
| 19821575 | 47 | Antagonists of the calcium receptor. 2. Amino alcohol-based parathyroid hormone secretagogues. |
J Med Chem 52: 6599-605 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19821572 | 29 | Discovery and validation of a series of aryl sulfonamides as selective inhibitors of tissue-nonspecific alkaline phosphatase (TNAP). |
J Med Chem 52: 6919-25 (2009) | Institute for Medical Research | 2D 3D TSV |
| 19821563 | 28 | Structure-activity relationships of 9-substituted-9-dihydroerythromycin-based motilin agonists: optimizing for potency and safety. |
J Med Chem 52: 6851-9 (2009) | Kosan Biosciences, Inc. | 2D 3D TSV |
| 19821562 | 34 | Discovery and preclinical evaluation of [4-[[1-(3-fluorophenyl)methyl]-1H-indazol-5-ylamino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamic acid, (3S)-3-morpholinylmethyl ester (BMS-599626), a selective and orally efficacious inhibitor of human epidermal growth factor receptor 1 and 2 kinases. |
J Med Chem 52: 6527-30 (2009) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 19819706 | 16 | Antimalarial and antitrypanosomal activity of a series of amide and sulfonamide derivatives of a 2,5-diaminobenzophenone. |
Bioorg Med Chem 17: 7690-7 (2009) | Philipps-Universit£t Marburg | 2D 3D TSV |
| 19819702 | 8 | Removal of the 20-methyl group from 2-methylene-19-nor-(20S)-1alpha,25-dihydroxyvitamin D(3) (2MD) selectively eliminates bone calcium mobilization activity. |
Bioorg Med Chem 17: 7658-69 (2009) | University of Wisconsin-Madison | 2D 3D TSV |
| 19819694 | 2 | Identification of iminooxothiazolidines as secreted frizzled related protein-1 inhibitors. |
Bioorg Med Chem Lett 19: 6337-9 (2009) | Wyeth Research | 2D 3D TSV |
| 19819693 | 50 | Discovery and optimization of potent and selective triazolopyridazine series of c-Met inhibitors. |
Bioorg Med Chem Lett 19: 6307-12 (2009) | Amgen Inc. | 2D 3D TSV |
| 19819692 | 2 | Design and synthesis of a simplified inhibitor for XIAP-BIR3 domain. |
Bioorg Med Chem Lett 19: 6413-8 (2009) | Institute for Medical Research | 2D 3D TSV |
| 19819139 | 28 | Syntheses of aminoalcohol-derived macrocycles leading to a small-molecule binder to and inhibitor of Sonic Hedgehog. |
Bioorg Med Chem Lett 19: 6319-25 (2009) | Massachusetts General Hospital | 2D 3D TSV |
| 19819046 | 24 | Substituted 2-aminothiopen-derivatives: a potential new class of GluR6-antagonists. |
Eur J Med Chem 45: 69-77 (2010) | Universit£t Leipzig | 2D 3D TSV |
| 19818613 | 43 | Optimization of azepanone calcitonin gene-related peptide (CGRP) receptor antagonists: development of novel spiropiperidines. |
Bioorg Med Chem Lett 19: 6368-72 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19818611 | 100 | Rapid access towards follow-up NOP receptor agonists using a knowledge based approach. |
Bioorg Med Chem Lett 19: 6441-6 (2009) | Schering-Plough Research Institute | 2D 3D TSV |
| 19817444 | 45 | Identification of a critical residue in the transmembrane domain 2 of tachykinin neurokinin 3 receptor affecting the dissociation kinetics and antagonism mode of osanetant (SR 142801) and piperidine-based structures. |
J Med Chem 52: 7103-12 (2009) | F. Hoffmann-La Roche Ltd. | 2D 3D TSV |
| 19817384 | 2 | Phenoxy herbicides and fibrates potently inhibit the human chemosensory receptor subunit T1R3. |
J Med Chem 52: 6931-5 (2009) | Mount Sinai School of Medicine | 2D 3D TSV |
| 19815412 | 34 | Synthesis and biological evaluation of pyrrolopyridazine derivatives as novel HER-2 tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 19: 6437-40 (2009) | Shanghai Hengrui Pharmaceuticals Co., Ltd. | 2D 3D TSV |
| 19815410 | 23 | Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists II: tuning of receptor selectivity and in vivo efficacy. |
Bioorg Med Chem Lett 19: 6376-8 (2009) | Johnson& Johnson Pharmaceutical Research and Development | 2D 3D TSV |
| 19813747 | 12 | Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks. |
J Med Chem 52: 7883-6 (2009) | University of Bologna | 2D 3D TSV |
| 19811924 | 23 | Development of a highly water-soluble peptide-based human neutrophil elastase inhibitor; AE-3763 for treatment of acute organ injury. |
Bioorg Med Chem 17: 7477-86 (2009) | Dainippon Sumitomo Pharma Co | 2D 3D TSV |
| 19811916 | 83 | Design and synthesis of cell potent BACE-1 inhibitors: structure-activity relationship of P1' substituents. |
Bioorg Med Chem Lett 19: 6386-91 (2009) | Elan Pharmaceuticals | 2D 3D TSV |
| 19811915 | 11 | Pyranocoumarins: a new class of anti-hyperglycemic and anti-dyslipidemic agents. |
Bioorg Med Chem Lett 19: 6447-51 (2009) | Central Drug Research Institute | 2D 3D TSV |
| 19811913 | 52 | Anthranilic sulfonamide CCK1/CCK2 dual receptor antagonists I: discovery of CCKR1 selectivity in a previously CCKR2-selective lead series. |
Bioorg Med Chem Lett 19: 6373-5 (2009) | Johnson& Johnson Pharmaceutical Research and Development | 2D 3D TSV |
| 19810703 | 102 | Knowledge-based characterization of similarity relationships in the human protein-tyrosine phosphatase family for rational inhibitor design. |
J Med Chem 52: 6649-59 (2009) | University of Miami | 2D 3D TSV |
| 19810674 | 93 | Discovery of a novel class of potent coumarin monoamine oxidase B inhibitors: development and biopharmacological profiling of 7-[(3-chlorobenzyl)oxy]-4-[(methylamino)methyl]-2H-chromen-2-one methanesulfonate (NW-1772) as a highly potent, selective, reversible, and orally active monoamine oxidase B |
J Med Chem 52: 6685-706 (2009) | Universita degli Studi di Bari | 2D 3D TSV |
| 19807733 | 6 | Active site ring-opening of a thiirane moiety and picomolar inhibition of gelatinases. |
Chem Biol Drug Des 74: 527-34 (2009) | University of Notre Dame | 2D 3D TSV |
| 19807124 | 8 | Chemical library screens targeting an HIV-1 accessory factor/host cell kinase complex identify novel antiretroviral compounds. |
ACS Chem Biol 4: 939-47 (2009) | University of Pittsburgh School of Medicine | 2D 3D TSV |
| 19807106 | 11 | 7-Hydroxy-benzopyran-4-one derivatives: a novel pharmacophore of peroxisome proliferator-activated receptor alpha and -gamma (PPARalpha and gamma) dual agonists. |
J Med Chem 52: 6835-50 (2009) | The University of Sydney | 2D 3D TSV |
| 19807103 | 14 | 1,1'-Disubstituted ferrocenes as molecular hinges in mono- and bivalent dopamine receptor ligands. |
J Med Chem 52: 6860-70 (2009) | Friedrich Alexander University | 2D 3D TSV |
| 19807094 | 45 | The effects of C-terminal modifications on the opioid activity of [N-benzylTyr(1)]dynorphin A-(1-11) analogues. |
J Med Chem 52: 6814-21 (2009) | University of Kansas | 2D 3D TSV |
| 19805567 | 3 | Long-lasting enfuvirtide carrier pentasaccharide conjugates with potent anti-human immunodeficiency virus type 1 activity. |
Antimicrob Agents Chemother 54: 134-42 (2009) | Endotis Pharma | 2D 3D TSV |
| 19804982 | 1 | Synthesis and in vitro evaluation of pteridine analogues as monoamine oxidase B and nitric oxide synthase inhibitors. |
Bioorg Med Chem 17: 7523-30 (2009) | North-West University | 2D 3D TSV |
| 19804971 | 63 | Discovery and optimization of CRTH2 and DP dual antagonists. |
Bioorg Med Chem Lett 19: 6419-23 (2009) | Amgen Inc. | 2D 3D TSV |
| 19804970 | 7 | Design of novel alpha7-subtype-preferring nicotinic acetylcholine receptor agonists: application of docking and MM-PBSA computational approaches, synthetic and pharmacological studies. |
Bioorg Med Chem Lett 19: 6353-7 (2009) | Universit£ degli Studi di Milano | 2D 3D TSV |
| 19804969 | 109 | The discovery and optimisation of benzazepine sulfonamide and sulfones as potent agonists of the motilin receptor. |
Bioorg Med Chem Lett 19: 6452-8 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19804894 | 18 | Phosphorylated hydroxyethylamines as novel inhibitors of the bacterial cell wall biosynthesis enzymes MurC to MurF. |
Bioorg Chem 37: 217-22 (2009) | University of Ljubljana | 2D 3D TSV |
| 19803524 | 18 | Discovery of selective nonpeptidergic neuropeptide FF2 receptor agonists. |
J Med Chem 52: 6511-4 (2009) | ACADIA Pharmaceuticals AB | 2D 3D TSV |
| 19800804 | 19 | Structure-based drug design identifies novel LPA3 antagonists. |
Bioorg Med Chem 17: 7457-64 (2009) | The University of Memphis | 2D 3D TSV |
| 19800803 | 16 | Synthesis of isoquinolinone-based tetracycles as poly (ADP-ribose) polymerase-1 (PARP-1) inhibitors. |
Bioorg Med Chem 17: 7537-41 (2009) | Sookmyung Women's University | 2D 3D TSV |
| 19800793 | 15 | Synthesis and structure-activity relationships of pyrazolodiazepine derivatives as human P2X7 receptor antagonists. |
Bioorg Med Chem Lett 19: 6053-8 (2009) | Institute of Science& Technology | 2D 3D TSV |
| 19800791 | 98 | N,N-Diethyl-4-[(3-hydroxyphenyl)(piperidin-4-yl)amino] benzamide derivatives: the development of diaryl amino piperidines as potent delta opioid receptor agonists with in vivo anti-nociceptive activity in rodent models. |
Bioorg Med Chem Lett 19: 5994-8 (2009) | AstraZeneca R&D Montr£al | 2D 3D TSV |
| 19800790 | 62 | Delta agonist hydroxy bioisosteres: the discovery of 3-((1-benzylpiperidin-4-yl){4-[(diethylamino)carbonyl]phenyl}amino)benzamide with improved delta agonist activity and in vitro metabolic stability. |
Bioorg Med Chem Lett 19: 5999-6003 (2009) | AstraZeneca R&D Montr£al | 2D 3D TSV |
| 19800788 | 1 | Insights into the inhibition of xanthine oxidase by curcumin. |
Bioorg Med Chem Lett 19: 5990-3 (2009) | Shandong University of Technology | 2D 3D TSV |
| 19800787 | 27 | Triazine and pyrimidine based ROCK inhibitors with efficacy in spontaneous hypertensive rat model. |
Bioorg Med Chem Lett 19: 6027-31 (2009) | Ligand Pharmaceuticals, Inc. | 2D 3D TSV |
| 19800231 | 92 | Tetrahydroquinoline sulfonamides as vasopressin 1b receptor antagonists. |
Bioorg Med Chem Lett 19: 6018-22 (2009) | Schering-Plough Research Institute | 2D 3D TSV |
| 19800229 | 29 | Discovery of 4-functionalized phenyl-O-beta-D-glycosides as a new class of mushroom tyrosinase inhibitors. |
Bioorg Med Chem Lett 19: 6157-60 (2009) | Sun Yat-sen University | 2D 3D TSV |
| 19800228 | 27 | Discovery of novel sphingosine kinase 1 inhibitors. |
Bioorg Med Chem Lett 19: 6119-21 (2009) | Genzyme Corporation | 2D 3D TSV |
| 19800227 | 31 | Effect of the structure of adenosine mimic of bisubstrate-analog inhibitors on their activity towards basophilic protein kinases. |
Bioorg Med Chem Lett 19: 6098-101 (2009) | University of Tartu | 2D 3D TSV |
| 19796944 | 38 | Synthesis and binding affinity of potential atypical antipsychotics with the tetrahydroquinazolinone motif. |
Bioorg Med Chem Lett 19: 6059-62 (2009) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 19796941 | 210 | Piperazinyl-glutamate-pyrimidines as potent P2Y12 antagonists for inhibition of platelet aggregation. |
Bioorg Med Chem Lett 19: 6148-56 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19796939 | 20 | Carbonic anhydrase II-induced selection of inhibitors from a dynamic combinatorial library of Schiff's bases. |
Bioorg Med Chem Lett 19: 6014-7 (2009) | ENSCM-UMII-CNRS 5635 | 2D 3D TSV |
| 19791807 | 18 | Evaluation of spirocyclic 3-(3-fluoropropyl)-2-benzofurans as sigma1 receptor ligands for neuroimaging with positron emission tomography. |
J Med Chem 52: 6062-72 (2009) | Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster | 2D 3D TSV |
| 19791805 | 9 | Hydroxamic acids as a novel family of serine racemase inhibitors: mechanistic analysis reveals different modes of interaction with the pyridoxal-5'-phosphate cofactor. |
J Med Chem 52: 6032-41 (2009) | Institute of Organic Chemistry and Biochemistry of the ASCR | 2D 3D TSV |
| 19791803 | 8 | Modeling, synthesis and biological evaluation of potential retinoid X receptor (RXR) selective agonists: novel analogues of 4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)ethynyl]benzoic acid (bexarotene). |
J Med Chem 52: 5950-66 (2009) | Arizona State University | 2D 3D TSV |
| 19791802 | 21 | Synthesis of 1,1-[1-naphthyloxy-2-thiophenyl]-2-methylaminomethylcyclopropanes and their evaluation as inhibitors of serotonin, norepinephrine, and dopamine transporters. |
J Med Chem 52: 5872-9 (2009) | Oregon State University | 2D 3D TSV |
| 19791801 | 86 | Pyridine analogues of nimesulide: design, synthesis, and in vitro and in vivo pharmacological evaluation as promising cyclooxygenase 1 and 2 inhibitors. |
J Med Chem 52: 5864-71 (2009) | University of Liege | 2D 3D TSV |
| 19791799 | 18 | RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information. |
J Med Chem 52: 5781-4 (2009) | Gilead Sciences Inc. | 2D 3D TSV |
| 19791746 | 14 | Kinase inhibitor data modeling and de novo inhibitor design with fragment approaches. |
J Med Chem 52: 6456-66 (2009) | Eli Lilly and Company Lilly Research Laboratories | 2D 3D TSV |
| 19791744 | 23 | Synthesis and biological evaluation of 2-heteroarylthioalkanoic acid analogues of clofibric acid as peroxisome proliferator-activated receptor alpha agonists. |
J Med Chem 52: 6224-32 (2009) | Universit£ degli Studi G. d'Annunzio | 2D 3D TSV |
| 19791743 | 41 | Synthesis and structure-activity relationships of cyanoguanidine-type and structurally related histamine H4 receptor agonists. |
J Med Chem 52: 6297-313 (2009) | University of Regensburg | 2D 3D TSV |
| 19788246 | 11 | Synthesis, kinase inhibitory potencies, and in vitro antiproliferative evaluation of new Pim kinase inhibitors. |
J Med Chem 52: 6369-81 (2009) | Clermont Universit£ | 2D 3D TSV |
| 19788239 | 8 | Rational design and synthesis of potent dibenzazepine motifs as beta-secretase inhibitors. |
J Med Chem 52: 6484-8 (2009) | University of Sharjah | 2D 3D TSV |
| 19788238 | 36 | Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4). |
J Med Chem 52: 6433-46 (2009) | University of Zurich | 2D 3D TSV |
| 19788201 | 32 | Pentapeptides displaying mu opioid receptor agonist and delta opioid receptor partial agonist/antagonist properties. |
J Med Chem 52: 7724-31 (2009) | University of Michigan | 2D 3D TSV |
| 19788200 | 7 | Further studies on arylpiperazinyl alkyl pyridazinones: discovery of an exceptionally potent, orally active, antinociceptive agent in thermally induced pain. |
J Med Chem 52: 7397-409 (2009) | Dipartimento di Scienze Farmaceutiche | 2D 3D TSV |
| 19786348 | 261 | Benzoxazole piperidines as selective and potent somatostatin receptor subtype 5 antagonists. |
Bioorg Med Chem Lett 19: 6106-13 (2009) | F. Hoffmann-La Roche Ltd | 2D 3D TSV |
| 19785436 | 29 | Nanomolar potency pyrimido-pyrrolo-quinoxalinedione CFTR inhibitor reduces cyst size in a polycystic kidney disease model. |
J Med Chem 52: 6447-55 (2009) | University of California | 2D 3D TSV |
| 19785435 | 58 | Novel L-xylose derivatives as selective sodium-dependent glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes. |
J Med Chem 52: 6201-4 (2009) | Princ | 2D 3D TSV |
| 19783444 | 28 | Synthesis and evaluation of novel alpha-heteroaryl-phenylpropanoic acid derivatives as PPARalpha/gamma dual agonists. |
Bioorg Med Chem 17: 7113-25 (2009) | Pfizer | 2D 3D TSV |
| 19783435 | 50 | Pyrazole-based arylalkyne cathepsin S inhibitors. Part II: optimization of cellular potency. |
Bioorg Med Chem Lett 19: 6135-9 (2009) | Johnson& Johnson Pharmaceutical Research and Development | 2D 3D TSV |
| 19783434 | 31 | Structure-activity relationship study of EphB3 receptor tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 19: 6122-6 (2009) | Harvard Medical School | 2D 3D TSV |
| 19783143 | 65 | Special ergolines are highly selective, potent antagonists of the chemokine receptor CXCR3: discovery, characterization and preliminary SAR of a promising lead. |
Bioorg Med Chem Lett 19: 6185-8 (2009) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 19783142 | 27 | Thiazolidinedione derivatives as PTP1B inhibitors with antihyperglycemic and antiobesity effects. |
Bioorg Med Chem Lett 19: 6161-5 (2009) | Inha University | 2D 3D TSV |
| 19783139 | 31 | Discovery of 3-(2-cyano-4-pyridyl)-5-(4-pyridyl)-1,2,4-triazole, FYX-051 - a xanthine oxidoreductase inhibitor for the treatment of hyperuricemia [corrected] |
Bioorg Med Chem Lett 19: 6225-9 (2009) | Fuji Yakuhin Co., Ltd | 2D 3D TSV |
| 19782572 | 62 | Design, synthesis, and preliminary studies of the activity of novel derivatives of N-cinnamoyl-L-aspartic acid as inhibitors of aminopeptidase N/CD13. |
Bioorg Med Chem 17: 7398-404 (2009) | Shandong University | 2D 3D TSV |
| 19782566 | 30 | Optimising metabolic stability in lipophilic chemical space: the identification of a metabolically stable pyrazolopyrimidine CRF-1 receptor antagonist. |
Bioorg Med Chem Lett 19: 6144-7 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19782562 | 10 | Isolation of the protein tyrosine phosphatase 1B inhibitory metabolite from the marine-derived fungus Cosmospora sp. SF-5060. |
Bioorg Med Chem Lett 19: 6095-7 (2009) | Silla University | 2D 3D TSV |
| 19781951 | 1 | Synthesis and evaluation of benzo[b]thiophene derivatives as inhibitors of alkaline phosphatases. |
Bioorg Med Chem 17: 7290-300 (2009) | Universit£ de Lyon | 2D 3D TSV |
| 19781950 | 113 | Discovery and structure-activity relationship analysis of Staphylococcus aureus sortase A inhibitors. |
Bioorg Med Chem 17: 7174-85 (2009) | University of California at Los Angeles | 2D 3D TSV |
| 19781947 | 5 | Glucose-based spiro-isoxazolines: a new family of potent glycogen phosphorylase inhibitors. |
Bioorg Med Chem 17: 7368-80 (2009) | Universite de Lyon | 2D 3D TSV |
| 19780074 | 6 | Development of new and selective Trypanosoma cruzi trans-sialidase inhibitors from sulfonamide chalcones and their derivatives. |
Chembiochem 10: 2475-9 (2009) | University of British Columbia | 2D 3D TSV |
| 19778024 | 31 | Discovery of a 2,4-disubstituted pyrrolo[1,2-f][1,2,4]triazine inhibitor (BMS-754807) of insulin-like growth factor receptor (IGF-1R) kinase in clinical development. |
J Med Chem 52: 7360-3 (2009) | Bristol-Myers Squibb Co | 2D 3D TSV |
| 19775896 | 4 | Pochonicine, a polyhydroxylated pyrrolizidine alkaloid from fungus Pochonia suchlasporia var. suchlasporia TAMA 87 as a potent beta-N-acetylglucosaminidase inhibitor. |
Bioorg Med Chem 17: 7248-53 (2009) | Okayama University | 2D 3D TSV |
| 19775891 | 16 | 2-Oxoglutarate analogue inhibitors of prolyl hydroxylase domain 2. |
Bioorg Med Chem Lett 19: 6192-5 (2009) | University of Oxford | 2D 3D TSV |
| 19775169 | 41 | New 2-aryloxy-3-phenyl-propanoic acids as peroxisome proliferator-activated receptors alpha/gamma dual agonists with improved potency and reduced adverse effects on skeletal muscle function. |
J Med Chem 52: 6382-93 (2009) | Universit£ degli Studi di Bari | 2D 3D TSV |
| 19775168 | 6 | Discovery of azetidinyl ketolides for the treatment of susceptible and multidrug resistant community-acquired respiratory tract infections. |
J Med Chem 52: 7446-57 (2009) | Pfizer Global Research& Development | 2D 3D TSV |
| 19775160 | 79 | 2-{3-[4-(Alkylsulfinyl)phenyl]-1-benzofuran-5-yl}-5-methyl-1,3,4-oxadiazole derivatives as novel inhibitors of glycogen synthase kinase-3beta with good brain permeability. |
J Med Chem 52: 6270-86 (2009) | Takeda Pharmaceutical Company, Ltd. | 2D 3D TSV |
| 19775099 | 184 | Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhibitors. |
J Med Chem 52: 6347-61 (2009) | Universit£ di Pisa | 2D 3D TSV |
| 19773175 | 41 | 2,4-Diaminopyrimidines as histamine H4 receptor ligands--Scaffold optimization and pharmacological characterization. |
Bioorg Med Chem 17: 7186-96 (2009) | Johann Wolfgang Goethe-University | 2D 3D TSV |
| 19773173 | 60 | Carbonic anhydrase inhibitors. Diazenylbenzenesulfonamides are potent and selective inhibitors of the tumor-associated isozymes IX and XII over the cytosolic isoforms I and II. |
Bioorg Med Chem 17: 7093-9 (2009) | Universita degli Studi di Firenze | 2D 3D TSV |
| 19773167 | 30 | Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. |
Bioorg Med Chem Lett 19: 6218-21 (2009) | University of California | 2D 3D TSV |
| 19773165 | 28 | Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements. |
Bioorg Med Chem Lett 19: 6131-4 (2009) | Johnson & Johnson Pharmaceutical | 2D 3D TSV |
| 19773164 | 53 | Synthesis and structure-activity relationships of 2-(1,4'-bipiperidin-1'-yl)thiazolopyridine as H3 receptor antagonists. |
Bioorg Med Chem Lett 19: 6176-80 (2009) | Schering-Plough Research Institute | 2D 3D TSV |
| 19773163 | 106 | Inhibitor profiling of the Pseudomonas aeruginosa virulence factor LasB using N-alpha mercaptoamide template-based inhibitors. |
Bioorg Med Chem Lett 19: 6230-2 (2009) | Queen's University of Belfast | 2D 3D TSV |
| 19773162 | 72 | Pyrimidine-based antagonists of h-MCH-R1 derived from ATC0175: in vitro profiling and in vivo evaluation. |
Bioorg Med Chem Lett 19: 6166-71 (2009) | Arena Pharmaceuticals | 2D 3D TSV |
| 19772295 | 5 | Potent inhibitors of beta-tryptase and human leukocyte elastase based on the MCoTI-II scaffold. |
J Med Chem 52: 6197-200 (2009) | Imperial College London SW7 2AZ | 2D 3D TSV |
| 19772289 | 3 | Potent and selective steroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 7, an enzyme that catalyzes the reduction of the key hormones estrone and dihydrotestosterone. |
J Med Chem 52: 7488-502 (2009) | CHUQ (CHUL) Research Center and Laval University | 2D 3D TSV |
| 19772287 | 67 | p38alpha mitogen-activated protein kinase inhibitors: optimization of a series of biphenylamides to give a molecule suitable for clinical progression. |
J Med Chem 52: 6257-69 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19769383 | 9 | An approach to the site-selective diversification of apoptolidin A with peptide-based catalysts. |
J Nat Prod 72: 1864-9 (2009) | Yale University | 2D 3D TSV |
| 19769357 | 93 | Structure-guided development of selective TbcatB inhibitors. |
J Med Chem 52: 6489-93 (2009) | University of California | 2D 3D TSV |
| 19769332 | 49 | Inhibitors of human immunodeficiency virus type 1 (HIV-1) attachment. 5. An evolution from indole to azaindoles leading to the discovery of 1-(4-benzoylpiperazin-1-yl)-2-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione (BMS-488043), a drug candidate that demonstrates antiviral activity |
J Med Chem 52: 7778-87 (2009) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 19767211 | 20 | Synthesis and structure-activity relationships of dehydroaltenusin derivatives as selective DNA polymerase alpha inhibitors. |
Bioorg Med Chem 17: 7227-38 (2009) | Kyoto Prefectural University | 2D 3D TSV |
| 19767208 | 33 | Discovery and optimization of novel 4-[(aminocarbonyl)amino]-N-[4-(2-aminoethyl)phenyl]benzenesulfonamide ghrelin receptor antagonists. |
Bioorg Med Chem Lett 19: 6237-40 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19767207 | 17 | Synthesis and SAR of 2-phenyl-1-sulfonylaminocyclopropane carboxylates as ADAMTS-5 (Aggrecanase-2) inhibitors. |
Bioorg Med Chem Lett 19: 6213-7 (2009) | Central Pharmaceutical Research Institute | 2D 3D TSV |
| 19767206 | 9 | Synthesis and in vitro autoradiographic evaluation of a novel high-affinity radioiodinated ligand for imaging brain cannabinoid subtype-1 receptors. |
Bioorg Med Chem Lett 19: 6209-12 (2009) | National Institute of Mental Health | 2D 3D TSV |
| 19766010 | 14 | PET-compatible endothelin receptor radioligands: synthesis and first in vitro and in vivo studies. |
Bioorg Med Chem 17: 7197-208 (2009) | University Hospital M£nster | 2D 3D TSV |
| 19764794 | 60 | Selective inhibitors of the mutant B-Raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline. |
J Med Chem 52: 6189-92 (2009) | Amgen | 2D 3D TSV |
| 19762245 | 69 | The biological activity and metabolic stability of peptidic bifunctional compounds that are opioid receptor agonists and neurokinin-1 receptor antagonists with a cystine moiety. |
Bioorg Med Chem 17: 7337-43 (2009) | University of Arizona | 2D 3D TSV |
| 19762243 | 10 | Design, synthesis and evaluation of monovalent ligands for the asialoglycoprotein receptor (ASGP-R). |
Bioorg Med Chem 17: 7254-64 (2009) | University of Basel | 2D 3D TSV |
| 19762240 | 62 | The discovery and unique pharmacological profile of RO4938581 and RO4882224 as potent and selective GABAA alpha5 inverse agonists for the treatment of cognitive dysfunction. |
Bioorg Med Chem Lett 19: 5940-4 (2009) | F. Hoffmann-La Roche Ltd | 2D 3D TSV |
| 19762239 | 18 | Structure-activity relationship study on alpha1 adrenergic receptor antagonists from beer. |
Bioorg Med Chem Lett 19: 5905-8 (2009) | University of Shizuoka and Global COE Program | 2D 3D TSV |
| 19762238 | 78 | Phenylaminopyrimidines as inhibitors of Janus kinases (JAKs). |
Bioorg Med Chem Lett 19: 5887-92 (2009) | Cytopia Research Pty Ltd | 2D 3D TSV |
| 19762237 | 58 | First generation 5-vinyl-3-pyridinecarbonitrile PKCtheta inhibitors. |
Bioorg Med Chem Lett 19: 5829-32 (2009) | Wyeth Research | 2D 3D TSV |
| 19762236 | 9 | The discovery and optimisation of pyrido[2,3-d]pyrimidine-2,4-diamines as potent and selective inhibitors of mTOR kinase. |
Bioorg Med Chem Lett 19: 5950-3 (2009) | KuDOS Pharmaceuticals Ltd | 2D 3D TSV |
| 19762234 | 24 | Synthesis, SAR, and X-ray structure of tricyclic compounds as potent FBPase inhibitors. |
Bioorg Med Chem Lett 19: 5909-12 (2009) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 19762126 | 16 | Synthesis and pharmacological evaluation of sulfamide-based analogues of anandamide. |
Eur J Med Chem 44: 4889-95 (2009) | Instituto de Qu£mica M£dica | 2D 3D TSV |
| 19761212 | 76 | Structure mechanism insights and the role of nitric oxide donation guide the development of oxadiazole-2-oxides as therapeutic agents against schistosomiasis. |
J Med Chem 52: 6474-83 (2009) | National Human Genome Research Institute | 2D 3D TSV |
| 19758809 | 66 | Benzamide derivatives as dual-action hypoglycemic agents that inhibit glycogen phosphorylase and activate glucokinase. |
Bioorg Med Chem 17: 7301-12 (2009) | Shanghai Institutes for Biological Sciences | 2D 3D TSV |
| 19758807 | 23 | Indene-based frameworks targeting the 5-HT6 serotonin receptor: ring constraint in indenylsulfonamides using cyclic amines and structurally abbreviated counterparts. |
Bioorg Med Chem 17: 7387-97 (2009) | Universitat de Barcelona | 2D 3D TSV |
| 19758802 | 56 | Design and synthesis of substituted nicotinamides as inhibitors of soluble epoxide hydrolase. |
Bioorg Med Chem Lett 19: 5864-8 (2009) | Boehringer Ingelheim Pharmaceuticals | 2D 3D TSV |
| 19757839 | 26 | The replacement of His(4) in angiotensin IV by conformationally constrained residues provides highly potent and selective analogues. |
J Med Chem 52: 5612-8 (2009) | Vrije Universiteit Brussel | 2D 3D TSV |
| 19757823 | 98 | Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors. |
J Med Chem 52: 6314-23 (2009) | Wyeth Research | 2D 3D TSV |
| 19754201 | 2 | Physical binding pocket induction for affinity prediction. |
J Med Chem 52: 6107-25 (2009) | University of California | 2D 3D TSV |
| 19754199 | 29 | Identification of N-(5-tert-butyl-isoxazol-3-yl)-N'-{4-[7-(2-morpholin-4-yl-ethoxy)imidazo[2,1-b][1,3]benzothiazol-2-yl]phenyl}urea dihydrochloride (AC220), a uniquely potent, selective, and efficacious FMS-like tyrosine kinase-3 (FLT3) inhibitor. |
J Med Chem 52: 7808-16 (2009) | Ambit Biosciences | 2D 3D TSV |
| 19754198 | 5 | Identification and characterization of a small molecule inhibitor of Fatty Acid binding proteins. |
J Med Chem 52: 6024-31 (2009) | University of Minnesota | 2D 3D TSV |
| 19751980 | 26 | 3- and 6-Substituted 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridines as A1 adenosine receptor allosteric modulators and antagonists. |
Bioorg Med Chem 17: 7353-61 (2009) | Monash University (Parkville Campus) | 2D 3D TSV |
| 19751975 | 6 | The proteoglycan region of the tumor-associated carbonic anhydrase isoform IX acts as anintrinsic buffer optimizing CO2 hydration at acidic pH values characteristic of solid tumors. |
Bioorg Med Chem Lett 19: 5825-8 (2009) | Universita degli Studi di Firenze | 2D 3D TSV |
| 19751974 | 81 | Discovery of N-substituted pyridinones as potent and selective inhibitors of p38 kinase. |
Bioorg Med Chem Lett 19: 5851-6 (2009) | Pfizer Corporation | 2D 3D TSV |
| 19748785 | 115 | Design, synthesis, and X-ray crystal structures of 2,4-diaminofuro[2,3-d]pyrimidines as multireceptor tyrosine kinase and dihydrofolate reductase inhibitors. |
Bioorg Med Chem 17: 7324-36 (2009) | Duquesne University | 2D 3D TSV |
| 19748783 | 52 | Thienopyrimidine-based P2Y12 platelet aggregation inhibitors. |
Bioorg Med Chem Lett 19: 5919-23 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19748780 | 70 | Discovery of disubstituted phenanthrene imidazoles as potent, selective and orally active mPGES-1 inhibitors. |
Bioorg Med Chem Lett 19: 5837-41 (2009) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 19748778 | 3 | Pyrazole NNRTIs 4: selection of UK-453,061 (lersivirine) as a development candidate. |
Bioorg Med Chem Lett 19: 5857-60 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19748274 | 25 | Tetraiodobenzimidazoles are potent inhibitors of protein kinase CK2. |
Bioorg Med Chem 17: 7281-9 (2009) | University of Padova | 2D 3D TSV |
| 19748269 | 21 | Phosphoinositide-3-kinase (PI3K) inhibitors: identification of new scaffolds using virtual screening. |
Bioorg Med Chem Lett 19: 5842-7 (2009) | University of Auckland | 2D 3D TSV |
| 19747834 | 44 | Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools. |
Bioorg Med Chem 17: 6914-25 (2009) | Instituto de Qu£mica M£dica-CSIC | 2D 3D TSV |
| 19747833 | 15 | Novel 7H-pyrrolo[2,3-d]pyrimidine derivatives as potent and orally active STAT6 inhibitors. |
Bioorg Med Chem 17: 6926-36 (2009) | Astellas Pharma Inc. | 2D 3D TSV |
| 19746979 | 2 | Allosteric functional switch of neurokinin A-mediated signaling at the neurokinin NK2 receptor: structural exploration. |
J Med Chem 52: 5999-6011 (2009) | UMR UdS/CNRS 7200 | 2D 3D TSV |
| 19746975 | 67 | Structure-based optimization of arylamides as inhibitors of soluble epoxide hydrolase. |
J Med Chem 52: 5880-95 (2009) | Boehringer Ingelheim Pharmaceuticals | 2D 3D TSV |
| 19746963 | 43 | Design, synthesis, protein-ligand X-ray structure, and biological evaluation of a series of novel macrocyclic human immunodeficiency virus-1 protease inhibitors to combat drug resistance. |
J Med Chem 52: 7689-705 (2009) | Purdue University | 2D 3D TSV |
| 19746934 | 6 | Discovery of new inhibitors of resistant Streptococcus pneumoniae penicillin binding protein (PBP) 2x by structure-based virtual screening. |
J Med Chem 52: 5926-36 (2009) | Institut de Biologie Structurale Jean-Pierre Ebel (CEA/CNRS/UJF) | 2D 3D TSV |
| 19744860 | 19 | Synthesis and biological evaluation of novel phthalazinone derivatives as topically active phosphodiesterase 4 inhibitors. |
Bioorg Med Chem 17: 6959-70 (2009) | Kyoto 601-8550 | 2D 3D TSV |
| 19744859 | 90 | Dibenzazecine scaffold rebuilding--is the flexibility always essential for high dopamine receptor affinities? |
Bioorg Med Chem 17: 6898-907 (2009) | Friedrich-Schiller-Universit£t Jena | 2D 3D TSV |
| 19743875 | 5 | Characterization of the CHK1 allosteric inhibitor binding site. |
Biochemistry 48: 9823-30 (2009) | Pfizer | 2D 3D TSV |
| 19743867 | 51 | Discovery of 1-[4-(3-chlorophenylamino)-1-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl]-1-morpholin-4-ylmethanone (GSK554418A), a brain penetrant 5-azaindole CB2 agonist for the treatment of chronic pain. |
J Med Chem 52: 5785-8 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19743866 | 16 | Structure-activity relationships for substrate-based inhibitors of human complement factor B. |
J Med Chem 52: 6042-52 (2009) | The University of Queensland | 2D 3D TSV |
| 19743865 | 22 | 2-Phenylpyrazolo[4,3-d]pyrimidin-7-one as a new scaffold to obtain potent and selective human A3 adenosine receptor antagonists: new insights into the receptor-antagonist recognition. |
J Med Chem 52: 7640-52 (2009) | Universit£ di Firenze | 2D 3D TSV |
| 19743858 | 6 | Structure-activity relationship and molecular mechanisms of ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-phenyl-4h-chromene-3-carboxylate (sha 14-1) and its analogues. |
J Med Chem 52: 5937-49 (2009) | University of Minnesota | 2D 3D TSV |
| 19740668 | 48 | Inhibition of serotonin and norepinephrine reuptake and inhibition of phosphodiesterase by multi-target inhibitors as potential agents for depression. |
Bioorg Med Chem 17: 6890-7 (2009) | Human BioMolecular Research Institute | 2D 3D TSV |
| 19740659 | 82 | Potent biphenyl- and 3-phenyl pyridine-based inhibitors of acetyl-CoA carboxylase. |
Bioorg Med Chem Lett 19: 5872-6 (2009) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 19740658 | 73 | Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: part 2. |
Bioorg Med Chem Lett 19: 5893-7 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19740657 | 42 | Imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepines as potent and highly selective GABAA alpha5 inverse agonists with potential for the treatment of cognitive dysfunction. |
Bioorg Med Chem Lett 19: 5958-61 (2009) | F. Hoffmann-La Roche Ltd | 2D 3D TSV |
| 19740654 | 1 | Amiodarone and its putative metabolites fail to activate wild type hTAAR1. |
Bioorg Med Chem Lett 19: 5913-4 (2009) | RTI International | 2D 3D TSV |
| 19739674 | 39 | Identification of novel indanylsulfonamide guanylhydrazones as potent 5-HT6 serotonin receptor antagonists. |
J Med Chem 52: 6153-7 (2009) | Universitat de Barcelona | 2D 3D TSV |
| 19739672 | 2 | Synthesis, conformational analysis, and biological evaluation of 19-nor-vitamin D3 analogues with A-ring modifications. |
J Med Chem 52: 6158-62 (2009) | Universidad de Oviedo | 2D 3D TSV |
| 19739647 | 52 | 5-lipoxygenase-activating protein inhibitors: development of 3-[3-tert-butylsulfanyl-1-[4-(6-methoxy-pyridin-3-yl)-benzyl]-5-(pyridin-2-ylmethoxy)-1H-indol-2-yl]-2,2-dimethyl-propionic acid (AM103). |
J Med Chem 52: 5803-15 (2009) | Amira Pharmaceuticals | 2D 3D TSV |
| 19736928 | 16 | Rapid generation of a high quality lead for transforming growth factor-beta (TGF-beta) type I receptor (ALK5). |
J Med Chem 52: 7901-5 (2009) | AstraZeneca | 2D 3D TSV |
| 19736020 | 32 | The design and optimization of a series of 2-(pyridin-2-yl)-1H-benzimidazole compounds as allosteric glucokinase activators. |
Bioorg Med Chem 17: 7042-51 (2009) | Banyu Tsukuba Research Institute | 2D 3D TSV |
| 19736007 | 31 | Novel pyridine derivatives as potent and selective CB2 cannabinoid receptor agonists. |
Bioorg Med Chem Lett 19: 5931-5 (2009) | Adolor Corporation | 2D 3D TSV |
| 19734911 | 20 | Augmented photoswitching modulates immune signaling. |
Nat Chem Biol 5: 724-6 (2009) | Max Planck Research Unit for Enzymology of Protein Folding | 2D 3D TSV |
| 19734051 | 17 | Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. |
Bioorg Med Chem 17: 6983-92 (2009) | The University of Texas | 2D 3D TSV |
| 19734050 | 38 | Identification and characterization of novel sirtuin inhibitor scaffolds. |
Bioorg Med Chem 17: 7031-41 (2009) | Institute | 2D 3D TSV |
| 19733070 | 8 | Selective inactivation of triosephosphate isomerase from Trypanosoma cruzi by brevifolin carboxylate derivatives isolated from Geranium bellum Rose. |
Bioorg Med Chem Lett 19: 5936-9 (2009) | Universidad Aut£noma del Estado de Hidalgo | 2D 3D TSV |
| 19733067 | 84 | Discovery and optimization of potent and selective functional antagonists of the human adenosine A2B receptor. |
Bioorg Med Chem Lett 19: 5945-9 (2009) | Vernalis (R&D) Ltd | 2D 3D TSV |
| 19733066 | 25 | Identification and optimisation of novel and selective small molecular weight kinase inhibitors of mTOR. |
Bioorg Med Chem Lett 19: 5898-901 (2009) | KuDOS Pharmaceuticals Ltd | 2D 3D TSV |
| 19731961 | 127 | Nonpeptide urotensin-II receptor antagonists: a new ligand class based on piperazino-phthalimide and piperazino-isoindolinone subunits. |
J Med Chem 52: 7432-45 (2009) | Johnson& Johnson Pharmaceutical Research& Development | 2D 3D TSV |
| 19731956 | 72 | Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-binding, more isoform-selective inhibitors. |
J Med Chem 52: 5990-8 (2009) | CNR | 2D 3D TSV |
| 19731939 | 8 | Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors. |
J Med Chem 52: 6097-106 (2009) | University of Oxford | 2D 3D TSV |
| 19729316 | 14 | Neuraminidase inhibitory activities of flavonols isolated from Rhodiola rosea roots and their in vitro anti-influenza viral activities. |
Bioorg Med Chem 17: 6816-23 (2009) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
| 19729315 | 8 | Identification of small molecule regulators of the nuclear receptor HNF4alpha based on naphthofuran scaffolds. |
Bioorg Med Chem 17: 7021-30 (2009) | Universit£ de Rennes 1 | 2D 3D TSV |
| 19729306 | 15 | Structure-based design of novel human Pin1 inhibitors (I). |
Bioorg Med Chem Lett 19: 5613-6 (2009) | Pfizer | 2D 3D TSV |
| 19728728 | 50 | Structure-affinity relationships of glutamine mimics incorporated into phosphopeptides targeted to the SH2 domain of signal transducer and activator of transcription 3. |
J Med Chem 52: 6126-41 (2009) | The University of Texas M. D. Anderson Cancer Center | 2D 3D TSV |
| 19726200 | 37 | Synthesis of heteroaromatic tropeines and heterogeneous binding to glycine receptors. |
Bioorg Med Chem 17: 6872-8 (2009) | Hungarian Academy of Sciences | 2D 3D TSV |
| 19726199 | 30 | Rational design and synthesis of highly potent anti-acetylcholinesterase activity huperzine A derivatives. |
Bioorg Med Chem 17: 6937-41 (2009) | The Chinese Academy of Sciences | 2D 3D TSV |
| 19726184 | 62 | Discovery of the imidazo[1,5-a][1,2,4]-triazolo[1,5-d][1,4]benzodiazepine scaffold as a novel, potent and selective GABA(A) alpha5 inverse agonist series. |
Bioorg Med Chem Lett 19: 5746-52 (2009) | F. Hoffmann-La Roche Ltd | 2D 3D TSV |
| 19726182 | 60 | Discovery and structure-activity relationships of a novel class of quinazoline glucokinase activators. |
Bioorg Med Chem Lett 19: 5531-8 (2009) | Banyu Tsukuba Research Institute | 2D 3D TSV |
| 19726112 | 76 | Prediction of telomerase inhibitory activity for acridinic derivatives based on chemical structure. |
Eur J Med Chem 44: 4826-40 (2009) | Central University of Las Villas | 2D 3D TSV |
| 19725580 | 93 | Identification of an orally efficacious matrix metalloprotease 12 inhibitor for potential treatment of asthma. |
J Med Chem 52: 5408-19 (2009) | Wyeth Research | 2D 3D TSV |
| 19725578 | 20 | Modulation of multidrug resistance protein 1 (MRP1/ABCC1)-mediated multidrug resistance by bivalent apigenin homodimers and their derivatives. |
J Med Chem 52: 5311-22 (2009) | The Hong Kong Polytechnic University | 2D 3D TSV |
| 19722526 | 30 | Design and evaluation of novel biphenyl sulfonamide derivatives with potent histamine H(3) receptor inverse agonist activity. |
J Med Chem 52: 5603-11 (2009) | Arena Pharmaceuticals | 2D 3D TSV |
| 19722525 | 31 | 1- or 3-(3-Amino-2-hydroxy-1-phenyl propyl)-1,3-dihydro-2H-benzimidazol-2-ones: potent, selective, and orally efficacious norepinephrine reuptake inhibitors. |
J Med Chem 52: 5703-11 (2009) | Wyeth Research | 2D 3D TSV |
| 19721074 | 1 | Nonclinical pharmacokinetics of oseltamivir and oseltamivir carboxylate in the central nervous system. |
Antimicrob Agents Chemother 53: 4753-61 (2009) | F. Hoffmann-La Roche Ltd. | 2D 3D TSV |
| 19720539 | 32 | Discovery of trans-N-[1-(2-fluorophenyl)-3-pyrazolyl]-3-oxospiro[6-azaisobenzofuran-1(3H),1'-cyclohexane]-4'-carboxamide, a potent and orally active neuropeptide Y Y5 receptor antagonist. |
Bioorg Med Chem 17: 6971-82 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19720531 | 7 | Potent small molecule mouse CD22-inhibitors: exploring the interaction of the residue at C-2 of sialic acid scaffold. |
Bioorg Med Chem Lett 19: 5573-5 (2009) | Gifu University | 2D 3D TSV |
| 19720528 | 54 | Tetrahydrocarbazole-based serotonin reuptake inhibitor/dopamine D2 partial agonists for the potential treatment of schizophrenia. |
Bioorg Med Chem Lett 19: 5552-5 (2009) | Wyeth Research | 2D 3D TSV |
| 19719242 | 13 | Arylpyrrolizines as inhibitors of microsomal prostaglandin E2 synthase-1 (mPGES-1) or as dual inhibitors of mPGES-1 and 5-lipoxygenase (5-LOX). |
J Med Chem 52: 4968-72 (2009) | Eberhard Karls University Tuebingen | 2D 3D TSV |
| 19719241 | 55 | Synthesis, potency, and in vivo evaluation of 2-piperazin-1-ylquinoline analogues as dual serotonin reuptake inhibitors and serotonin 5-HT1A receptor antagonists. |
J Med Chem 52: 4955-9 (2009) | Wyeth Research | 2D 3D TSV |
| 19719240 | 25 | Doxazosin-related alpha1-adrenoceptor antagonists with prostate antitumor activity. |
J Med Chem 52: 4951-4 (2009) | University of Camerino | 2D 3D TSV |
| 19719239 | 108 | Design, synthesis, and X-ray crystal structure of classical and nonclassical 2-amino-4-oxo-5-substituted-6-ethylthieno[2,3-d]pyrimidines as dual thymidylate synthase and dihydrofolate reductase inhibitors and as potential antitumor agents. |
J Med Chem 52: 4892-902 (2009) | Duquesne University | 2D 3D TSV |
| 19719236 | 23 | Activation of peroxisome proliferator-activated receptor gamma (PPARgamma) by nitroalkene fatty acids: importance of nitration position and degree of unsaturation. |
J Med Chem 52: 4631-9 (2009) | Wake Forest University | 2D 3D TSV |
| 19719235 | 19 | Synthesis, in vitro and in vivo evaluation, and radiolabeling of aryl anandamide analogues as candidate radioligands for in vivo imaging of fatty acid amide hydrolase in the brain. |
J Med Chem 52: 4613-22 (2009) | Ghent University | 2D 3D TSV |
| 19717305 | 3 | Synthesis of organophosphates with fluorine-containing leaving groups as serine esterase inhibitors with potential for Alzheimer disease therapeutics. |
Bioorg Med Chem Lett 19: 5528-30 (2009) | Institute of Physiologically Active Compounds Russian Academy of Sciences | 2D 3D TSV |
| 19717304 | 29 | The discovery of tertiary-amine LXR agonists with potent cholesterol efflux activity in macrophages. |
Bioorg Med Chem Lett 19: 5617-21 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19717215 | 56 | Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents. |
Eur J Med Chem 44: 4862-88 (2009) | Trinity College | 2D 3D TSV |
| 19717214 | 28 | Synthesis and pharmacological evaluation of novel N-alkyl/aryl substituted thiazolidinone arecoline analogues as muscarinic receptor 1 agonist in Alzheimer's dementia models. |
Eur J Med Chem 44: 4848-54 (2009) | University of Mysore | 2D 3D TSV |
| 19716698 | 35 | Synthesis and in vitro evaluation of 2,4-diamino-1,3,5-triazine derivatives as neuronal voltage-gated sodium channel blockers. |
Bioorg Med Chem Lett 19: 5644-7 (2009) | National University of Singapore | 2D 3D TSV |
| 19716697 | 110 | The discovery of thienopyridine analogues as potent IkappaB kinase beta inhibitors. Part II. |
Bioorg Med Chem Lett 19: 5547-51 (2009) | Boehringer Ingelheim Pharmaceuticals | 2D 3D TSV |
| 19716475 | 20 | Targeting NAD biosynthesis in bacterial pathogens: Structure-based development of inhibitors of nicotinate mononucleotide adenylyltransferase NadD. |
Chem Biol 16: 849-61 (2009) | Burnham Institute for Medical Research | 2D 3D TSV |
| 19716306 | 6 | Substrate specificity effects of lipoxygenase products and inhibitors on soybean lipoxygenase-1. |
Bioorg Med Chem 17: 6534-9 (2009) | University of California | 2D 3D TSV |
| 19716297 | 45 | Design and synthesis of pyridazinone-based 5-HT(2C) agonists. |
Bioorg Med Chem Lett 19: 5791-5 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19716296 | 32 | GDC-0449-a potent inhibitor of the hedgehog pathway. |
Bioorg Med Chem Lett 19: 5576-81 (2009) | Genentech | 2D 3D TSV |
| 19716294 | 6 | The first Hes1 dimer inhibitors from natural products. |
Bioorg Med Chem Lett 19: 5778-81 (2009) | Chiba University | 2D 3D TSV |
| 19716293 | 22 | Structure-activity relationship of isoform selective inhibitors of Rac1/1b GTPase nucleotide binding. |
Bioorg Med Chem Lett 19: 5594-8 (2009) | Exonhit Therapeutics | 2D 3D TSV |
| 19715342 | 19 | On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences. |
J Med Chem 52: 5662-72 (2009) | University of Duisburg-Essen | 2D 3D TSV |
| 19715320 | 87 | Grassystatins A-C from marine cyanobacteria, potent cathepsin E inhibitors that reduce antigen presentation. |
J Med Chem 52: 5732-47 (2009) | University of Florida | 2D 3D TSV |
| 19715279 | 20 | Design, synthesis, and pharmacological activities of dynorphin A analogues cyclized by ring-closing metathesis. |
J Med Chem 52: 5619-25 (2009) | The University of Kansas | 2D 3D TSV |
| 19713115 | 3 | Inhibition of ribonuclease A by nucleoside-dibasic acid conjugates. |
Bioorg Med Chem 17: 6491-5 (2009) | Institute of Technology | 2D 3D TSV |
| 19713111 | 31 | Discovery of N-{N-[(3-cyanobenzene) sulfonyl]-4(R)-(3,3-difluoropiperidin-1-yl)-(l)-prolyl}-4-[(3',5'-dichloro-isonicotinoyl) amino]-(l)-phenylalanine (MK-0617), a highly potent and orally active VLA-4 antagonist. |
Bioorg Med Chem Lett 19: 5803-6 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19713110 | 27 | Design, synthesis, and evaluation of novel 3-amino-4-hydrazine-cyclobut-3-ene-1,2-diones as potent and selective CXCR2 chemokine receptor antagonists. |
Bioorg Med Chem Lett 19: 5741-5 (2009) | WuXi PharmaTech Co. Ltd | 2D 3D TSV |
| 19713107 | 7 | Structure-activity studies on seco-pancratistatin analogs: potent inhibitors of human cytochrome P450 3A4. |
Bioorg Med Chem Lett 19: 5607-12 (2009) | McMaster University | 2D 3D TSV |
| 19713106 | 66 | Structure-activity relationships of the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ol series of monoamine reuptake inhibitors. |
Bioorg Med Chem Lett 19: 5807-10 (2009) | Wyeth Research | 2D 3D TSV |
| 19711986 | 9 | Matrix metalloproteinase-2 inhibitors from Clinopodium chinense var. parviflorum. |
J Nat Prod 72: 1379-84 (2009) | Tohoku Pharmaceutical University | 2D 3D TSV |
| 19709887 | 25 | Novel 2H-isoquinolin-3-ones as antiplasmodial falcipain-2 inhibitors. |
Bioorg Med Chem 17: 6505-11 (2009) | Universit£ di Messina | 2D 3D TSV |
| 19709881 | 13 | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 4: structure-based design, synthesis, and biological evaluation of benzo[d]isothiazole-1,1-dioxides. |
Bioorg Med Chem Lett 19: 5652-6 (2009) | Roche Palo Alto LLC | 2D 3D TSV |
| 19709783 | 22 | Synthesis of sigma receptor ligands with unsymmetrical spiro connection of the piperidine moiety. |
Eur J Med Chem 44: 4306-14 (2009) | Institut f£r Pharmazeutische und Medizinische Chemie | 2D 3D TSV |
| 19708767 | 3 | Conferin, potent antioxidant and anti-inflammatory isoflavone from Caragana conferta Benth. |
J Enzyme Inhib Med Chem 25: 440-4 (2010) | University of Karachi | 2D 3D TSV |
| 19708663 | 3 | N-hydroxybenzimidazole inhibitors of the transcription factor LcrF in Yersinia: novel antivirulence agents. |
J Med Chem 52: 5626-34 (2009) | Paratek Pharmaceuticals, Inc. | 2D 3D TSV |
| 19705871 | 14 | Synthesis and characterization of environment-sensitive fluorescent ligands for human 5-HT1A receptors with 1-arylpiperazine structure. |
J Med Chem 52: 7892-6 (2009) | Universita degli Studi di Bari | 2D 3D TSV |
| 19705860 | 2 | Isoflavonoids from Erythrina poeppigiana: evaluation of their binding affinity for the estrogen receptor. |
J Nat Prod 72: 1603-7 (2009) | University of Athens | 2D 3D TSV |
| 19705846 | 100 | Discovery of potent and selective histone deacetylase inhibitors via focused combinatorial libraries of cyclic alpha3beta-tetrapeptides. |
J Med Chem 52: 7836-46 (2009) | The Scripps Research Institute | 2D 3D TSV |
| 19703777 | 12 | Synthesis and glycogen phosphorylase inhibitory activity of N-(beta-D-glucopyranosyl)amides possessing 1,4-benzodioxane moiety. |
Bioorg Med Chem 17: 6738-41 (2009) | University of Debrecen | 2D 3D TSV |
| 19703775 | 24 | Synthesis and biological evaluation of 4-fluoroproline and 4-fluoropyrrolidine-2-acetic acid derivatives as new GABA uptake inhibitors. |
Bioorg Med Chem 17: 6540-6 (2009) | Institute of Microbiology | 2D 3D TSV |
| 19703774 | 56 | C-5 substituted heteroaryl-3-pyridinecarbonitriles as PKCtheta inhibitors: part II. |
Bioorg Med Chem Lett 19: 5799-802 (2009) | Wyeth Research | 2D 3D TSV |
| 19703773 | 63 | The identification of beta-hydroxy carboxylic acids as selective MMP-12 inhibitors. |
Bioorg Med Chem Lett 19: 5760-3 (2009) | GSK Medicines Research Centre | 2D 3D TSV |
| 19703771 | 6 | Pharmacophore-guided lead optimization: the rational design of a non-zinc coordinating, sub-micromolar inhibitor of the botulinum neurotoxin serotype a metalloprotease. |
Bioorg Med Chem Lett 19: 5811-3 (2009) | National Cancer Institute at Frederick | 2D 3D TSV |
| 19703770 | 32 | Structure-activity relationship and improved hydrolytic stability of pyrazole derivatives that are allosteric inhibitors of West Nile Virus NS2B-NS3 proteinase. |
Bioorg Med Chem Lett 19: 5773-7 (2009) | Conrad Prebys Center for Chemical Genomics | 2D 3D TSV |
| 19703768 | 63 | Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA). |
Bioorg Med Chem Lett 19: 5712-5 (2009) | Berlex Biosciences | 2D 3D TSV |
| 19703767 | 34 | Novel CGRP receptor antagonists through a design strategy of target simplification with addition of molecular flexibility. |
Bioorg Med Chem Lett 19: 5787-90 (2009) | Merck& Co. | 2D 3D TSV |
| 19703036 | 15 | Antiproliferative activity against MCF-7 breast cancer cells by diamino-triazaspirodiene antifolates. |
Chem Biol Drug Des 74: 322-6 (2009) | National University of Singapore | 2D 3D TSV |
| 19703035 | 60 | Which carbonic anhydrases are targeted by the antiepileptic sulfonamides and sulfamates? |
Chem Biol Drug Des 74: 317-21 (2009) | Istituto di Biostrutture e Bioimmagini-CNR | 2D 3D TSV |
| 19703027 | 5 | In silico screening for non-nucleoside HIV-1 reverse transcriptase inhibitors using physicochemical filters and high-throughput docking followed by in vitro evaluation. |
Chem Biol Drug Des 74: 258-65 (2009) | University of Jordan | 2D 3D TSV |
| 19702283 | 1 | Chemical Constituents of the Roots of Euphorbia micractina. |
J Nat Prod 72: 1620-6 (2009) | Chinese Academy of Medical Sciences and Peking Union Medical College (Key Laboratory of Bioactive Substances and Resources Utilization of Chinese Herbal Medicine | 2D 3D TSV |
| 19702274 | 31 | Eleven amino acid glucagon-like peptide-1 receptor agonists with antidiabetic activity. |
J Med Chem 52: 7788-99 (2009) | Bristol-Myers Squibb Company Research& Development | 2D 3D TSV |
| 19700331 | 76 | Discovery of a series of acrylic acids and their derivatives as chemical leads for selective EP3 receptor antagonists. |
Bioorg Med Chem 17: 6567-82 (2009) | Ono Pharmaceutical Co., Ltd | 2D 3D TSV |
| 19700330 | 36 | Synthesis, structure-affinity relationships, and modeling of AMDA analogs at 5-HT2A and H1 receptors: structural factors contributing to selectivity. |
Bioorg Med Chem 17: 6496-504 (2009) | Virginia Commonwealth University | 2D 3D TSV |
| 19700325 | 46 | mu-Opioid/5-HT4 dual pharmacologically active agents-efforts towards an effective opioid analgesic with less GI and respiratory side effects (Part I). |
Bioorg Med Chem Lett 19: 5679-83 (2009) | Sepracor Inc. | 2D 3D TSV |
| 19700324 | 6 | Identification of a cell-active non-peptide sirtuin inhibitor containing N-thioacetyl lysine. |
Bioorg Med Chem Lett 19: 5670-2 (2009) | Nagoya City University | 2D 3D TSV |
| 19700321 | 29 | Potent and cellularly active 4-aminoimidazole inhibitors of cyclin-dependent kinase 5/p25 for the treatment of Alzheimer's disease. |
Bioorg Med Chem Lett 19: 5703-7 (2009) | Pfizer Inc. | 2D 3D TSV |
| 19700320 | 2 | Amplification of the inhibitory activity of miglitol by monofluorination. |
Bioorg Med Chem Lett 19: 5673-4 (2009) | Martin-Luther-Universit£t Halle-Wittenberg | 2D 3D TSV |
| 19700319 | 19 | Non-nucleoside inhibitors of HCV polymerase NS5B. Part 3: synthesis and optimization studies of benzothiazine-substituted tetramic acids. |
Bioorg Med Chem Lett 19: 5648-51 (2009) | Roche Palo Alto LLC | 2D 3D TSV |
| 19700318 | 6 | O-Spiro C-aryl glucosides as novel sodium-dependent glucose co-transporter 2 (SGLT2) inhibitors. |
Bioorg Med Chem Lett 19: 5632-5 (2009) | Chinese Academy of Sciences | 2D 3D TSV |
| 19700315 | 68 | A strategy of employing aminoheterocycles as amide mimics to identify novel, potent and bioavailable soluble epoxide hydrolase inhibitors. |
Bioorg Med Chem Lett 19: 5716-21 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19700314 | 1 | Design, synthesis, screening, and molecular modeling study of a new series of ROS1 receptor tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 19: 5622-6 (2009) | University of Science and Technology | 2D 3D TSV |
| 19700313 | 4 | Kojic acid-amino acid conjugates as tyrosinase inhibitors. |
Bioorg Med Chem Lett 19: 5586-9 (2009) | Seoul National University | 2D 3D TSV |
| 19699645 | 12 | Design, synthesis, and biological evaluation of hydroquinone derivatives as novel inhibitors of the sarco/endoplasmic reticulum calcium ATPase. |
Bioorg Med Chem 17: 6613-9 (2009) | Northern Kentucky University | 2D 3D TSV |
| 19699641 | 145 | Synthesis and in vitro DMPK profiling of a 1,2-dioxolane-based library with activity against Plasmodium falciparum. |
Bioorg Med Chem Lett 19: 5657-60 (2009) | Institute Infectious Diseases Initiative | 2D 3D TSV |
| 19699640 | 12 | Synthesis and SAR of 1,4,5,6-tetrahydropyridazines as potent cannabinoid CB1 receptor antagonists. |
Bioorg Med Chem Lett 19: 5675-8 (2009) | Solvay Pharma | 2D 3D TSV |
| 19699639 | 58 | Diphenylmethylene hydroxamic acids as selective class IIa histone deacetylase inhibitors. |
Bioorg Med Chem Lett 19: 5684-8 (2009) | MethylGene Inc. | 2D 3D TSV |
| 19695884 | 156 | Antagonists of the human A(2A) receptor. Part 6: Further optimization of pyrimidine-4-carboxamides. |
Bioorg Med Chem 17: 6590-605 (2009) | Vernalis (R&D) Ltd | 2D 3D TSV |
| 19695883 | 9 | Identification of new agonists of urotensin-II from a cyclic peptide library. |
Bioorg Med Chem 17: 6742-7 (2009) | PRISM Bio. Lab. Corporation | 2D 3D TSV |
| 19694469 | 3 | Synthesis and evaluation of a full-agonist orvinol for PET-imaging of opioid receptors: [11C]PEO. |
J Med Chem 52: 5586-9 (2009) | Biomedizinische Forschungsreagenzien GmbH | 2D 3D TSV |
| 19694468 | 136 | Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) benzamide (ADL5747). |
J Med Chem 52: 5685-702 (2009) | Adolor Corporation | 2D 3D TSV |
| 19694467 | 1 | Recent advances in the identification of gamma-secretase inhibitors to clinically test the Abeta oligomer hypothesis of Alzheimer's disease. |
J Med Chem 52: 6169-88 (2009) | Wyeth Research | 2D 3D TSV |
| 19692250 | 52 | Design, synthesis and evaluation of flavonoid derivatives as potent AChE inhibitors. |
Bioorg Med Chem 17: 6692-8 (2009) | Zhejiang University | 2D 3D TSV |
| 19692248 | 5 | A new structural class of S-adenosylhomocysteine hydrolase inhibitors. |
Bioorg Med Chem 17: 6707-14 (2009) | Boston College | 2D 3D TSV |
| 19692247 | 295 | Substituted 2-arylbenzothiazoles as kinase inhibitors: hit-to-lead optimization. |
Bioorg Med Chem 17: 6728-37 (2009) | 4SC AG | 2D 3D TSV |
| 19692242 | 30 | Discovery and biological profile of isoindolinone derivatives as novel metabotropic glutamate receptor 1 antagonists: a potential treatment for psychotic disorders. |
Bioorg Med Chem Lett 19: 5310-3 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19692241 | 36 | Design and synthesis of piperazinylpyrimidinones as novel selective 5-HT(2C) agonists. |
Bioorg Med Chem Lett 19: 5346-50 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19692239 | 23 | Improving potency and selectivity of a new class of non-Zn-chelating MMP-13 inhibitors. |
Bioorg Med Chem Lett 19: 5321-4 (2009) | Boehringer Ingelheim Pharmaceuticals | 2D 3D TSV |
| 19691347 | 24 | Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach. |
J Med Chem 52: 5295-8 (2009) | East China University of Science and Technology | 2D 3D TSV |
| 19691331 | 40 | Pyrrolidine analogues of lobelane: relationship of affinity for the dihydrotetrabenazine binding site with function of the vesicular monoamine transporter 2 (VMAT2). |
J Med Chem 52: 7878-82 (2009) | University of Kentucky | 2D 3D TSV |
| 19690175 | 25 | Chemical interrogation of FOXO3a nuclear translocation identifies potent and selective inhibitors of phosphoinositide 3-kinases. |
J Biol Chem 284: 28392-400 (2009) | Spanish National Cancer Research Center (CNIO) | 2D 3D TSV |
| 19689106 | 4 | Minor furanocoumarins and coumarins in grapefruit peel oil as inhibitors of human cytochrome P450 3A4. |
J Nat Prod 72: 1702-4 (2009) | University of Sao Paulo State | 2D 3D TSV |
| 19683931 | 2 | A critical electrostatic interaction mediates inhibitor recognition by human asparagine synthetase. |
Bioorg Med Chem 17: 6641-50 (2009) | Kyoto University | 2D 3D TSV |
| 19683924 | 18 | Pyrrole[2,3-d]azepino compounds as agonists of the farnesoid X receptor (FXR). |
Bioorg Med Chem Lett 19: 5289-92 (2009) | Wyeth Research | 2D 3D TSV |
| 19683922 | 70 | 5-(2-Pyrimidinyl)-imidazo[1,2-a]pyridines are antibacterial agents targeting the ATPase domains of DNA gyrase and topoisomerase IV. |
Bioorg Med Chem Lett 19: 5302-6 (2009) | Pfizer Inc. | 2D 3D TSV |
| 19683918 | 36 | Bioisosteric replacement of the hydrazide pharmacophore of the cannabinoid-1 receptor antagonist SR141716A. Part I: potent, orally-active 1,4-disubstituted imidazoles. |
Bioorg Med Chem Lett 19: 5351-4 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19683843 | 16 | Reactivity of isothiazolones and isothiazolone-1-oxides in the inhibition of the PCAF histone acetyltransferase. |
Eur J Med Chem 44: 4855-61 (2009) | University of Groningen | 2D 3D TSV |
| 19683842 | 27 | Novel cyclic-imide peptidomimetics as aminopeptidase N inhibitors. Design, chemistry and activity evaluation. Part I. |
Eur J Med Chem 44: 4819-25 (2009) | Shandong University | 2D 3D TSV |
| 19683451 | 12 | Omega-conotoxin GVIA mimetics based on an anthranilamide core: effect of variation in ammonium side chain lengths and incorporation of fluorine. |
Bioorg Med Chem 17: 6659-70 (2009) | The University of Queensland | 2D 3D TSV |
| 19683449 | 116 | Synthesis and pharmacological evaluation of 6-naltrexamine analogs for alcohol cessation. |
Bioorg Med Chem 17: 6671-81 (2009) | Human BioMolecular Research Institute | 2D 3D TSV |
| 19683443 | 26 | Discovery of isoxazole voltage gated sodium channel blockers for treatment of chronic pain. |
Bioorg Med Chem Lett 19: 5334-8 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19683441 | 33 | Discovery of novel diarylketoxime derivatives as selective and orally active melanin-concentrating hormone 1 receptor antagonists. |
Bioorg Med Chem Lett 19: 5339-45 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19682971 | 48 | A fluorescence quenching assay to discriminate between specific and nonspecific inhibitors of dengue virus protease. |
Anal Biochem 395: 195-204 (2009) | Novartis Institute for Tropical Diseases | 2D 3D TSV |
| 19682914 | 13 | Inhibition of S-ribosylhomocysteinase (LuxS) by substrate analogues modified at the ribosyl C-3 position. |
Bioorg Med Chem 17: 6699-706 (2009) | Florida International University | 2D 3D TSV |
| 19682912 | 80 | Synthesis and pharmacological evaluation of novel 1- and 8-substituted-3-furfuryl xanthines as adenosine receptor antagonists. |
Bioorg Med Chem 17: 6755-60 (2009) | Universidade de Santiago de Compostela | 2D 3D TSV |
| 19682910 | 48 | Synthesis and molecular modeling of some novel hexahydroindazole derivatives as potent monoamine oxidase inhibitors. |
Bioorg Med Chem 17: 6761-72 (2009) | Hacettepe University | 2D 3D TSV |
| 19682899 | 211 | Discovery of 3,3-disubstituted piperidine-derived trisubstituted ureas as highly potent soluble epoxide hydrolase inhibitors. |
Bioorg Med Chem Lett 19: 5314-20 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19682896 | 49 | C-5 Substituted heteroaryl 3-pyridinecarbonitriles as PKCtheta inhibitors: Part I. |
Bioorg Med Chem Lett 19: 5423-5 (2009) | Wyeth Research | 2D 3D TSV |
| 19682894 | 2 | Photoregulation of thrombin aptamer activity using Bhc caging strategy. |
Bioorg Med Chem Lett 19: 5368-71 (2009) | University of Science and Technology of China | 2D 3D TSV |
| 19681589 | 3 | Guttiferones O and P, prenylated benzophenone MAPKAPK-2 inhibitors from Garcinia solomonensis. |
J Nat Prod 72: 1699-701 (2009) | Griffith University | 2D 3D TSV |
| 19679481 | 29 | Fluorinated indazoles as novel selective inhibitors of nitric oxide synthase (NOS): synthesis and biological evaluation. |
Bioorg Med Chem 17: 6180-7 (2009) | UNED | 2D 3D TSV |
| 19679477 | 38 | Synthesis and evaluation of inhibitors of cytochrome P450 3A (CYP3A) for pharmacokinetic enhancement of drugs. |
Bioorg Med Chem Lett 19: 5444-8 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19679475 | 6 | A novel class of highly potent multidrug resistance reversal agents: disubstituted adamantyl derivatives. |
Bioorg Med Chem Lett 19: 5376-9 (2009) | Chung-Ang University | 2D 3D TSV |
| 19679474 | 8 | Molecular modeling studies to predict the possible binding modes of endomorphin analogs in mu opioid receptor. |
Bioorg Med Chem Lett 19: 5387-91 (2009) | Lanzhou University | 2D 3D TSV |
| 19679469 | 26 | Identification of positron emission tomography ligands for NPY Y5 receptors in the brain. |
Bioorg Med Chem Lett 19: 5436-9 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19679379 | 33 | Synthesis and preliminary pharmacological evaluation of imidazo[2,1-f]purine-2,4-dione derivatives. |
Eur J Med Chem 44: 4288-96 (2009) | Jagiellonian University Medical College | 2D 3D TSV |
| 19678708 | 28 | Design, synthesis, and structure-activity relationships of aminopyridine N-oxides, a novel scaffold for the potent and selective inhibition of p38 mitogen activated protein kinase. |
J Med Chem 52: 5531-45 (2009) | Almirall Research Center | 2D 3D TSV |
| 19678644 | 52 | Discovery of orally active 3-pyridinyl-tropane as a potent nociceptin receptor agonist for the management of cough. |
J Med Chem 52: 5323-9 (2009) | Schering-Plough Research Institute | 2D 3D TSV |
| 19674899 | 54 | Disubstituted pyrimidines as Lck inhibitors. |
Bioorg Med Chem Lett 19: 5440-3 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19674898 | 31 | Spiropiperidine CCR5 antagonists. |
Bioorg Med Chem Lett 19: 5401-6 (2009) | Roche Palo Alto LLC | 2D 3D TSV |
| 19674897 | 21 | From natural products to achiral drug prototypes: potent thrombin inhibitors based on P2/P3 dihydropyrid-2-one core motifs. |
Bioorg Med Chem Lett 19: 5429-32 (2009) | Universit£ de Montr£al | 2D 3D TSV |
| 19674896 | 12 | Discovery of a novel class of isoxazoline voltage gated sodium channel blockers. |
Bioorg Med Chem Lett 19: 5329-33 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19674894 | 34 | Discovery and in vitro and in vivo profiles of 4-fluoro-N-[4-[6-(isopropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-N-methylbenzamide as novel class of an orally active metabotropic glutamate receptor 1 (mGluR1) antagonist. |
Bioorg Med Chem Lett 19: 5464-8 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19674816 | 31 | Discovery of potential ZAP-70 kinase inhibitors: pharmacophore design, database screening and docking studies. |
Eur J Med Chem 44: 4793-800 (2009) | GVK Biosciences Pvt. Ltd. | 2D 3D TSV |
| 19673530 | 41 | Synthesis, biological evaluation, and three-dimensional in silico pharmacophore model for sigma(1) receptor ligands based on a series of substituted benzo[d]oxazol-2(3H)-one derivatives. |
J Med Chem 52: 5380-93 (2009) | University of Trieste | 2D 3D TSV |
| 19673490 | 4 | Design, synthesis, and examination of neuron protective properties of alkenylated and amidated dehydro-silybin derivatives. |
J Med Chem 52: 7732-52 (2009) | Pharmacy School of Wenzhou Medical College | 2D 3D TSV |
| 19673466 | 101 | Efficacious 11beta-hydroxysteroid dehydrogenase type I inhibitors in the diet-induced obesity mouse model. |
J Med Chem 52: 5449-61 (2009) | Wyeth Research | 2D 3D TSV |
| 19670875 | 19 | Inhibitors of aldose reductase and formation of advanced glycation end-products in moutan cortex (Paeonia suffruticosa). |
J Nat Prod 72: 1465-70 (2009) | Chungnam National University | 2D 3D TSV |
| 19668195 | 38 | Synthetic partial agonists reveal key steps in IP3 receptor activation. |
Nat Chem Biol 5: 631-9 (2009) | University of Cambridge | 2D 3D TSV |
| 19666229 | 1 | Molecular modeling of human acidic mammalian chitinase in complex with the natural-product cyclopentapeptide chitinase inhibitor argifin. |
Bioorg Med Chem 17: 6270-8 (2009) | Kitasato University | 2D 3D TSV |
| 19666228 | 4 | Synthesis of branched 9-[2-(2-phosphonoethoxy)ethyl]purines as a new class of acyclic nucleoside phosphonates which inhibit Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase. |
Bioorg Med Chem 17: 6218-32 (2009) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 19665894 | 93 | Solubilized phenyl-pyrazole ureas as potent, selective 5-HT(2A) inverse-agonists and their application as antiplatelet agents. |
Bioorg Med Chem Lett 19: 5486-9 (2009) | Arena Pharmaceuticals Inc. | 2D 3D TSV |
| 19665893 | 29 | Dihydropyrazolopyrimidines containing benzimidazoles as K(V)1.5 potassium channel antagonists. |
Bioorg Med Chem Lett 19: 5469-73 (2009) | Bristol-Myers Squibb | 2D 3D TSV |
| 19665823 | 38 | Novel 4-aryl-pyrido[1,2-c]pyrimidines with dual SSRI and 5-HT1A activity: part 2. |
Eur J Med Chem 44: 4702-15 (2009) | Medical University of Warsaw | 2D 3D TSV |
| 19665385 | 14 | Synthesis, antifungal, haemolytic and cytotoxic activities of a series of bis(alkylpyridinium)alkanes. |
Bioorg Med Chem 17: 6329-39 (2009) | The University of Sydney | 2D 3D TSV |
| 19665384 | 38 | Synthesis and kinase inhibitory activity of novel substituted indigoids. |
Bioorg Med Chem 17: 6257-63 (2009) | Universit£ de La Rochelle | 2D 3D TSV |
| 19665377 | 8 | Design and synthesis of new stabilized combi-triazenes for targeting solid tumors expressing the epidermal growth factor receptor (EGFR) or its closest homologue HER2. |
Bioorg Med Chem Lett 19: 5505-9 (2009) | McGill University/Royal Victoria Hospital | 2D 3D TSV |
| 19665376 | 48 | Design and synthesis of dipeptidyl nitriles as potent, selective, and reversible inhibitors of cathepsin C. |
Bioorg Med Chem Lett 19: 5392-6 (2009) | Merck Frosst Canada& Co. | 2D 3D TSV |
| 19665375 | 24 | Synthesis of novel ageladine A analogs showing more potent matrix metalloproteinase (MMP)-12 inhibitory activity than the natural product. |
Bioorg Med Chem Lett 19: 5461-3 (2009) | Kyorin Pharmaceutical Co., Ltd | 2D 3D TSV |
| 19664922 | 35 | 2-Amino-9-aryl-3-cyano-4-methyl-7-oxo-6,7,8,9-tetrahydropyrido[2',3':4,5]thieno[2,3-b]pyridine derivatives as selective progesterone receptor agonists. |
Bioorg Med Chem Lett 19: 4916-9 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19663663 | 8 | Potent inhibitory effects of benzyl and p-xylidine-bis dithiocarbamate sodium salts on activities of mushroom tyrosinase. |
J Enzyme Inhib Med Chem 25: 272-81 (2010) | University of Tehran | 2D 3D TSV |
| 19663506 | 21 | Developing dual and specific inhibitors of dimethylarginine dimethylaminohydrolase-1 and nitric oxide synthase: toward a targeted polypharmacology to control nitric oxide. |
Biochemistry 48: 8624-35 (2009) | The University of Texas | 2D 3D TSV |
| 19663444 | 158 | A multivalent approach to the design and discovery of orally efficacious 5-HT4 receptor agonists. |
J Med Chem 52: 5330-43 (2009) | Theravance, Inc. | 2D 3D TSV |
| 19663428 | 38 | Probing the fibrate binding specificity of rat liver fatty acid binding protein. |
J Med Chem 52: 5344-55 (2009) | Monash University | 2D 3D TSV |
| 19663388 | 40 | Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. |
J Med Chem 52: 5365-79 (2009) | Universitat de Barcelona | 2D 3D TSV |
| 19663387 | 29 | Characterization of novel selective H1-antihistamines for clinical evaluation in the treatment of insomnia. |
J Med Chem 52: 5307-10 (2009) | Neurocrine Biosciences | 2D 3D TSV |
| 19660947 | 24 | Structural determinants for histamine H(1) affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs. |
Bioorg Med Chem Lett 19: 5043-7 (2009) | The Schering Plough Research Institute | 2D 3D TSV |
| 19656686 | 20 | 3-Substituted phenylalanines as selective AMPA- and kainate receptor ligands. |
Bioorg Med Chem 17: 6390-401 (2009) | University of Copenhagen | 2D 3D TSV |
| 19656678 | 25 | Quinolines as a novel structural class of potent and selective PDE4 inhibitors. Optimisation for inhaled administration. |
Bioorg Med Chem Lett 19: 5261-5 (2009) | GlaxoSmithKline Medicines Research Centre | 2D 3D TSV |
| 19654408 | 2521 | AC220 is a uniquely potent and selective inhibitor of FLT3 for the treatment of acute myeloid leukemia (AML). |
Blood 114: 2984-92 (2009) | Ambit Biosciences | 2D 3D TSV |
| 19653681 | 29 | 14,15-Epoxyeicosa-5,8,11-trienoic acid (14,15-EET) surrogates containing epoxide bioisosteres: influence upon vascular relaxation and soluble epoxide hydrolase inhibition. |
J Med Chem 52: 5069-75 (2010) | University of Texas Southwestern Medical Center | 2D 3D TSV |
| 19653647 | 1 | Radiolabeled 5-iodo-3'-O-(17beta-succinyl-5alpha-androstan-3-one)-2'-deoxyuridine and its 5'-monophosphate for imaging and therapy of androgen receptor-positive cancers: synthesis and biological evaluation. |
J Med Chem 52: 5124-43 (2010) | University of Nebraska Medical Center | 2D 3D TSV |
| 19653644 | 1 | Curcumin inhibits ACTH- and angiotensin II-stimulated cortisol secretion and Ca(v)3.2 current. |
J Nat Prod 72: 1533-7 (2009) | The Ohio State University College of Medicine and Public Health | 2D 3D TSV |
| 19653626 | 111 | Discovery of novel quaternary ammonium derivatives of (3R)-quinuclidinol esters as potent and long-acting muscarinic antagonists with potential for minimal systemic exposure after inhaled administration: identification of (3R)-3-{[hydroxy(di-2-thienyl)acetyl]oxy}-1-(3-phenoxypropyl)-1-azoniabicyclo |
J Med Chem 52: 5076-92 (2010) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 19651511 | 62 | Carbonic anhydrase inhibitors. Inhibition of the Rv1284 and Rv3273 beta-carbonic anhydrases from Mycobacterium tuberculosis with diazenylbenzenesulfonamides. |
Bioorg Med Chem Lett 19: 4929-32 (2009) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 19651509 | 23 | Isatin derivatives, a novel class of transthyretin fibrillogenesis inhibitors. |
Bioorg Med Chem Lett 19: 5270-3 (2009) | Universitat de Barcelona | 2D 3D TSV |
| 19648931 | 16 | Design, synthesis and selection of DNA-encoded small-molecule libraries. |
Nat Chem Biol 5: 647-54 (2009) | Praecis Pharmaceuticals | 2D 3D TSV |
| 19648014 | 11 | Synthesis, structural activity-relationships, and biological evaluation of novel amide-based allosteric binding site antagonists in NR1A/NR2B N-methyl-D-aspartate receptors. |
Bioorg Med Chem 17: 6463-80 (2009) | Emory University | 2D 3D TSV |
| 19648007 | 3 | Synthesis and evaluation of novel tricyclic benzo[4.5]cyclohepta[1.2]pyridine derivatives as NMDA/NR2B antagonists. |
Bioorg Med Chem Lett 19: 5132-5 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19648005 | 41 | Identification of small molecule inhibitors of proline-rich tyrosine kinase 2 (Pyk2) with osteogenic activity in osteoblast cells. |
Bioorg Med Chem Lett 19: 4924-8 (2009) | Amgen Inc. | 2D 3D TSV |
| 19647430 | 104 | N-[(3S)-Pyrrolidin-3-yl]benzamides as novel dual serotonin and noradrenaline reuptake inhibitors: impact of small structural modifications on P-gp recognition and CNS penetration. |
Bioorg Med Chem Lett 19: 5078-81 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19647429 | 35 | Novel CXCR3 antagonists with a piperazinyl-piperidine core. |
Bioorg Med Chem Lett 19: 5205-8 (2009) | Ligand Pharmaceuticals | 2D 3D TSV |
| 19646882 | 72 | Novel delta opioid receptor agonists exhibit differential stimulation of signaling pathways. |
Bioorg Med Chem 17: 6442-50 (2009) | University of Medicine and Dentistry of New Jersey-Robert Wood Johnson Medical School and the Informatics Institute of UMDNJ | 2D 3D TSV |
| 19646870 | 34 | Arylcarboxyamino-substituted diaryl ureas as potent and selective FLT3 inhibitors. |
Bioorg Med Chem Lett 19: 5182-5 (2009) | Ambit Biosciences Inc. | 2D 3D TSV |
| 19646869 | 54 | Discovery of N-(3-(morpholinomethyl)-phenyl)-amides as potent and selective CB2 agonists. |
Bioorg Med Chem Lett 19: 5004-8 (2009) | Adolor Corporation | 2D 3D TSV |
| 19646866 | 35 | 2-Aminobenzimidazoles as potent Aurora kinase inhibitors. |
Bioorg Med Chem Lett 19: 5158-61 (2009) | Sunesis Pharmaceuticals, Inc. | 2D 3D TSV |
| 19646865 | 45 | Discovery of a novel azepine series of potent and selective 5-HT2C agonists as potential treatments for urinary incontinence. |
Bioorg Med Chem Lett 19: 4999-5003 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19646864 | 6 | Characterization of alpha-nitromethyl ketone as a new zinc-binding group based on structural analysis of its complex with carboxypeptidase A. |
Bioorg Med Chem Lett 19: 5009-11 (2009) | Yanbian University | 2D 3D TSV |
| 19645482 | 245 | Discovery of a highly potent, selective, and bioavailable soluble epoxide hydrolase inhibitor with excellent ex vivo target engagement. |
J Med Chem 52: 5009-12 (2010) | Merck Research Laboratories | 2D 3D TSV |
| 19645480 | 24 | Structure-Based Design, Synthesis, and Biological Evaluation of a Series of Novel and Reversible Inhibitors for the Severe Acute Respiratory Syndrome-Coronavirus Papain-Like Protease. |
J Med Chem 52: 5228-40 (2009) | Purdue University | 2D 3D TSV |
| 19645448 | 48 | ATP-Competitive Inhibitors of the Mammalian Target of Rapamycin: Design and Synthesis of Highly Potent and Selective Pyrazolopyrimidines |
J Med Chem 52: 5013-6 (2009) | Wyeth Research | 2D 3D TSV |
| 19645433 | 37 | Novel flufenamic acid analogues as inhibitors of androgen receptor mediated transcription. |
ACS Chem Biol 4: 834-43 (2009) | St. Jude Research Hospital | 2D 3D TSV |
| 19643610 | 24 | Design and discovery of 1,3-benzodiazepines as novel dopamine antagonists. |
Bioorg Med Chem Lett 19: 5218-21 (2009) | Schering Plough Research Institute | 2D 3D TSV |
| 19643609 | 14 | Design, synthesis and evaluation of novel 5,6-dimethoxy-1-oxo-2,3-dihydro-1H-2-indenyl-3,4-substituted phenyl methanone analogues. |
Bioorg Med Chem Lett 19: 5075-7 (2009) | Alwar Pharmacy College | 2D 3D TSV |
| 19643608 | 58 | Novel N-substituted 4-hydrazino piperidine derivative as a dipeptidyl peptidase IV inhibitor. |
Bioorg Med Chem Lett 19: 5021-5 (2009) | Torrent Pharmaceuticals Ltd. | 2D 3D TSV |
| 19643607 | 26 | Studies towards topical selective beta2-adrenoceptor agonists with a long duration of action. |
Bioorg Med Chem Lett 19: 5237-40 (2009) | Boehringer Ingelheim Pharma GmbH& Co. KG | 2D 3D TSV |
| 19643512 | 10 | Mapping the ribonucleolytic active site of bovine seminal ribonuclease. The binding of pyrimidinyl phosphonucleotide inhibitors. |
Eur J Med Chem 44: 4496-508 (2009) | National Hellenic Research Foundation | 2D 3D TSV |
| 19642687 | 36 | Synthesis of 3-deoxypentacyclic triterpene derivatives as inhibitors of glycogen phosphorylase. |
J Nat Prod 72: 1414-8 (2009) | China Pharmaceutical University | 2D 3D TSV |
| 19642675 | 60 | Influence of the side chain next to C-terminal benzimidazole in opioid pseudopeptides containing the Dmt-Tic pharmacophore. |
J Med Chem 52: 5556-9 (2009) | University of Cagliari | 2D 3D TSV |
| 19640720 | 4 | Synthesis and characterizations of novel quinoline derivatives having mixed ligand activities at the kappa and mu receptors: Potential therapeutic efficacy against morphine dependence. |
Bioorg Med Chem 17: 5782-90 (2009) | Institute of Chemical Biology | 2D 3D TSV |
| 19640719 | 2 | A comprehensive study on the 5-hydroxytryptamine(3A) receptor binding of agonists serotonin and m-chlorophenylbiguanidine. |
Bioorg Med Chem 17: 5796-805 (2009) | Virtua Drug Ltd | 2D 3D TSV |
| 19640717 | 17 | Alkyl-bridged substituted 8-arylquinolines as highly potent PDE IV inhibitors. |
Bioorg Med Chem Lett 19: 5266-9 (2009) | Merck Frosst Center for Therapeutic Research | 2D 3D TSV |
| 19640716 | 12 | Synthesis and SAR of a novel positive allosteric modulator (PAM) of the metabotropic glutamate receptor 4 (mGluR4). |
Bioorg Med Chem Lett 19: 4967-70 (2009) | Vanderbilt University Medical Center | 2D 3D TSV |
| 19640712 | 5 | A conformational constraint improves a beta-secretase inhibitor but for an unexpected reason. |
Bioorg Med Chem Lett 19: 4993-5 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19640707 | 12 | Design and synthesis of (2R,3S)-iodoreboxetine analogues for SPECT imaging of the noradrenaline transporter. |
Bioorg Med Chem Lett 19: 4996-8 (2009) | University of Glasgow | 2D 3D TSV |
| 19640706 | 25 | Synthesis and evaluation of a series of 2,4-diaminopyridine derivatives as potential positron emission tomography tracers for neuropeptide Y Y1 receptors. |
Bioorg Med Chem Lett 19: 5124-7 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19640613 | 104 | Pharmacophore modeling and virtual screening for the discovery of new transforming growth factor-beta type I receptor (ALK5) inhibitors. |
Eur J Med Chem 44: 4259-65 (2009) | Sichuan University | 2D 3D TSV |
| 19639995 | 81 | 6-methyl-2,4-disubstituted pyridazin-3(2H)-ones: a novel class of small-molecule agonists for formyl peptide receptors. |
J Med Chem 52: 5044-57 (2010) | Universita degli Studi di Firenze | 2D 3D TSV |
| 19637873 | 104 | Divergent modes of enzyme inhibition in a homologous structure-activity series. |
J Med Chem 52: 5005-8 (2010) | University of California | 2D 3D TSV |
| 19635672 | 35 | alpha-Substituted norstatines as the transition-state mimic in inhibitors of multiple digestive vacuole malaria aspartic proteases. |
Bioorg Med Chem 17: 5933-49 (2009) | Uppsala University | 2D 3D TSV |
| 19635669 | 106 | Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part 3: Radiosynthesis and in vivo studies. |
Bioorg Med Chem Lett 19: 5056-9 (2009) | Imperial College London | 2D 3D TSV |
| 19635667 | 110 | Semi-rigid tripeptide agonists of melanocortin receptors. |
Bioorg Med Chem Lett 19: 5176-81 (2009) | University of Cincinnati | 2D 3D TSV |
| 19635666 | 119 | Discovery of novel selective HER-2 sheddase inhibitors through optimization of P1 moiety. |
Bioorg Med Chem Lett 19: 5037-42 (2009) | Incyte Corporation | 2D 3D TSV |
| 19634902 | 55 | Univalent and bivalent ligands of butorphan: characteristics of the linking chain determine the affinity and potency of such opioid ligands. |
J Med Chem 52: 7389-96 (2009) | Harvard Medical School | 2D 3D TSV |
| 19633659 | 3 | Inhibition of a viral enzyme by a small-molecule dimer disruptor. |
Nat Chem Biol 5: 640-6 (2009) | University of California, San Francisco | 2D 3D TSV |
| 19632842 | 65 | Optimization of a series of quinazolinone-derived antagonists of CXCR3. |
Bioorg Med Chem Lett 19: 5114-8 (2009) | Amgen Inc. | 2D 3D TSV |
| 19632840 | 43 | Discovery of novel phenethylpyridone derivatives as potent melanin-concentrating hormone 1 receptor antagonists. |
Bioorg Med Chem Lett 19: 5186-90 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19632837 | 15 | Benzo[d]imidazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1)--Hit to Lead studies. |
Bioorg Med Chem Lett 19: 5063-6 (2009) | Bristol-Myers Squibb Pharmaceutical Research and Development | 2D 3D TSV |
| 19632836 | 10 | Towards to hENT1-nucleoside transporter selective imaging agents. Synthesis and in vitro evaluation of the radiolabeled SAENTA analogues. |
Bioorg Med Chem Lett 19: 5151-4 (2009) | Ulm University | 2D 3D TSV |
| 19632834 | 16 | Thiazole analog as stearoyl-CoA desaturase 1 inhibitor. |
Bioorg Med Chem Lett 19: 5214-7 (2009) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 19632832 | 15 | Inhibitory effect of chalcones and their derivatives from Glycyrrhiza inflata on protein tyrosine phosphatase 1B. |
Bioorg Med Chem Lett 19: 5155-7 (2009) | Institute | 2D 3D TSV |
| 19632830 | 47 | Synthesis and evaluation of N-[(1S,2S)-3-(4-chlorophenyl)-2-(3-cyanophenyl)-1-methylpropyl]-2-methyl-2-aminopropanamide as human cannabinoid-1 receptor (CB1R) inverse agonists. |
Bioorg Med Chem Lett 19: 5195-9 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19632829 | 17 | Synthesis and evaluation of 2-amino-dihydrotetrabenzine derivatives as probes for imaging vesicular monoamine transporter-2. |
Bioorg Med Chem Lett 19: 5026-8 (2009) | Key Laboratory of Radiopharmaceuticals (Beijing Normal University) | 2D 3D TSV |
| 19632124 | 12 | ADMET rules of thumb II: A comparison of the effects of common substituents on a range of ADMET parameters. |
Bioorg Med Chem 17: 5906-19 (2009) | GlaxoSmithKline Medicines Research Centre | 2D 3D TSV |
| 19632122 | 54 | Fascaplysin-inspired diindolyls as selective inhibitors of CDK4/cyclin D1. |
Bioorg Med Chem 17: 6073-84 (2009) | University of Leicester | 2D 3D TSV |
| 19632115 | 105 | 4-(Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: potent and selective p70S6 kinase inhibitors. |
Bioorg Med Chem Lett 19: 5191-4 (2009) | Vertex Pharmaceuticals, Inc. | 2D 3D TSV |
| 19632113 | 30 | 4-Anilino-7-pyridyl-3-quinolinecarbonitriles as Src kinase inhibitors. |
Bioorg Med Chem Lett 19: 5071-4 (2009) | Wyeth Research | 2D 3D TSV |
| 19632110 | 29 | Discovery of a new series of monoamine reuptake inhibitors, the 1-amino-3-(1H-indol-1-yl)-3-phenylpropan-2-ols. |
Bioorg Med Chem Lett 19: 5029-32 (2009) | Wyeth Research | 2D 3D TSV |
| 19631551 | 19 | Evaluation of hydrogen bonds of ecdysteroids in the ligand-receptor interactions using a protein modeling system. |
Bioorg Med Chem 17: 5868-73 (2009) | Kyoto University | 2D 3D TSV |
| 19631549 | 18 | Design, synthesis, and discovery of novel non-peptide inhibitor of Caspase-3 using ligand based and structure based virtual screening approach. |
Bioorg Med Chem 17: 6040-7 (2009) | Osmania University College for Women | 2D 3D TSV |
| 19631535 | 10 | Multiple strategies for the preparation of a sulfur-35 labeled NPC1L1 radioligand. |
Bioorg Med Chem Lett 19: 5033-6 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19631533 | 126 | Optimization of the aminopyridopyrazinones class of PDE5 inhibitors: discovery of 3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[3,4-b]pyrazin-2(1H)-one. |
Bioorg Med Chem Lett 19: 5209-13 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19631532 | 25 | Substituted 3-(4-(1,3,5-triazin-2-yl)-phenyl)-2-aminopropanoic acids as novel tryptophan hydroxylase inhibitors. |
Bioorg Med Chem Lett 19: 5229-32 (2009) | Princ | 2D 3D TSV |
| 19631530 | 4 | Design, syntheses, and evaluation of Taspase1 inhibitors. |
Bioorg Med Chem Lett 19: 5086-90 (2009) | Stanford School of Medicine | 2D 3D TSV |
| 19631529 | 74 | Imidazo-pyrazine derivatives as potent CXCR3 antagonists. |
Bioorg Med Chem Lett 19: 5200-4 (2009) | Amgen Inc. | 2D 3D TSV |
| 19631219 | 29 | Structural-thermodynamic relationships of interactions in the N-terminal ATP-binding domain of Hsp90. |
J Mol Biol 392: 923-36 (2009) | University College London | 2D 3D TSV |
| 19630403 | 19 | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia (dagger) dagger Coordinates of the PDE10A crystal structures have been depo |
J Med Chem 52: 5188-96 (2009) | Pfizer | 2D 3D TSV |
| 19630402 | 1 | Identification of enoxacin as an inhibitor of osteoclast formation and bone resorption by structure-based virtual screening. |
J Med Chem 52: 5144-51 (2010) | University of Florida College of Medicine | 2D 3D TSV |
| 19630384 | 32 | Design, synthesis, and structure-activity relationship of tropane muscarinic acetylcholine receptor antagonists. |
J Med Chem 52: 5241-52 (2010) | GlaxoSmithKline | 2D 3D TSV |
| 19628397 | 3 | Design, synthesis and biological evaluation of novel pyridine derivatives as anticancer agents and phosphodiesterase 3 inhibitors. |
Bioorg Med Chem 17: 5974-82 (2009) | German University in Cairo | 2D 3D TSV |
| 19628388 | 35 | Benzo[c][2,7]naphthyridines as inhibitors of PDK-1. |
Bioorg Med Chem Lett 19: 5225-8 (2009) | Wyeth Research | 2D 3D TSV |
| 19628387 | 6 | Synthesis and evaluation of 6-methyl-3-phenylcoumarins as potent and selective MAO-B inhibitors. |
Bioorg Med Chem Lett 19: 5053-5 (2009) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 19627147 | 27 | Probes for narcotic receptor mediated phenomena. 39. Enantiomeric N-substituted benzofuro[2,3-c]pyridin-6-ols: synthesis and topological relationship to oxide-bridged phenylmorphans. |
J Med Chem 52: 7570-9 (2009) | National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholi | 2D 3D TSV |
| 19625187 | 22 | Investigation of the pharmacophore space of Severe Acute Respiratory Syndrome coronavirus (SARS-CoV) NTPase/helicase by dihydroxychromone derivatives. |
Bioorg Med Chem Lett 19: 4538-41 (2009) | Konkuk University | 2D 3D TSV |
| 19625186 | 59 | 3,4-Disubstituted benzofuran P1' MMP-13 inhibitors: optimization of selectivity and reduction of protein binding. |
Bioorg Med Chem Lett 19: 4546-50 (2009) | Wyeth Research | 2D 3D TSV |
| 19625185 | 44 | The discovery of azepane sulfonamides as potent 11beta-HSD1 inhibitors. |
Bioorg Med Chem Lett 19: 4563-5 (2009) | Schering-Plough Research Institute | 2D 3D TSV |
| 19624136 | 48 | Triazole inhibitors of Cryptosporidium parvum inosine 5'-monophosphate dehydrogenase. |
J Med Chem 52: 4623-30 (2009) | Brandeis University | 2D 3D TSV |
| 19621878 | 19 | Discovery of dermorphin-based affinity labels with subnanomolar affinity for mu opioid receptors. |
J Med Chem 52: 7372-5 (2009) | The University of Kansas | 2D 3D TSV |
| 19620996 | 2 | Enzymatic transition states and dynamic motion in barrier crossing. |
Nat Chem Biol 5: 551-8 (2009) | Albert Einstein College of Medicine | 2D 3D TSV |
| 19620011 | 80 | Rational design, synthesis and characterization of potent, non-peptidic Smac mimics/XIAP inhibitors as proapoptotic agents for cancer therapy. |
Bioorg Med Chem 17: 5834-56 (2009) | Universita degli Studi di Milano | 2D 3D TSV |
| 19620010 | 43 | Synthesis, biological evaluation, and metabolic stability of acrylamide derivatives as novel CCR3 antagonists. |
Bioorg Med Chem 17: 5989-6002 (2009) | Astellas Pharma Inc. | 2D 3D TSV |
| 19620007 | 4 | Aerobic oxidation of indolomorphinan without the 4,5-epoxy bridge and subsequent rearrangement of the oxidation product to spiroindolinonyl-C-normorphinan derivative. |
Bioorg Med Chem 17: 5983-8 (2009) | Kitasato University | 2D 3D TSV |
| 19618939 | 36 | Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography. |
J Med Chem 52: 4694-715 (2009) | deCODE biostructures, Inc. | 2D 3D TSV |
| 19616958 | 10 | Design, synthesis, enzyme inhibition, and tumor cell growth inhibition of 2-anilinobenzamide derivatives as SIRT1 inhibitors. |
Bioorg Med Chem 17: 5900-5 (2009) | Nagoya City University | 2D 3D TSV |
| 19616957 | 9 | The marine natural-derived inhibitors of glycogen synthase kinase-3beta phenylmethylene hydantoins: In vitro and in vivo activities and pharmacophore modeling. |
Bioorg Med Chem 17: 6032-9 (2009) | University of Louisiana at Monroe | 2D 3D TSV |
| 19616955 | 34 | Discovery of pyridone-containing imidazolines as potent and selective inhibitors of neuropeptide Y Y5 receptor. |
Bioorg Med Chem 17: 6106-22 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19616945 | 55 | Benzothiophene inhibitors of MK2. Part 1: structure-activity relationships, assessments of selectivity and cellular potency. |
Bioorg Med Chem Lett 19: 4878-81 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19616944 | 27 | Discovery of (3-endo)-3-(2-cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide as an efficacious inhaled muscarinic acetylcholine receptor antagonist for the treatment of COPD. |
Bioorg Med Chem Lett 19: 4560-2 (2009) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 19616942 | 45 | Benzothiophene inhibitors of MK2. Part 2: improvements in kinase selectivity and cell potency. |
Bioorg Med Chem Lett 19: 4882-4 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19616940 | 2 | Synthesis and biological evaluation of 1,2,4-trisubstituted imidazoles and 1,3,5-trisubstituted pyrazoles as inhibitors of transforming growth factor beta type 1 receptor (ALK5). |
Bioorg Med Chem Lett 19: 4868-72 (2009) | Institute of Pharmacology and Toxicology | 2D 3D TSV |
| 19616432 | 176 | Design, synthesis and evaluation of N-[(3S)-pyrrolidin-3-yl]benzamides as selective noradrenaline reuptake inhibitors: CNS penetration in a more polar template. |
Bioorg Med Chem Lett 19: 4579-83 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19616430 | 120 | Design of selective Cathepsin inhibitors. |
Bioorg Med Chem Lett 19: 4622-5 (2009) | AstraZeneca | 2D 3D TSV |
| 19616429 | 32 | Discovery of orally active, pyrrolidinone-based progesterone receptor partial agonists. |
Bioorg Med Chem Lett 19: 4664-8 (2009) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 19615910 | 13 | Melanogenesis inhibitors from the rhizomes of Alpinia officinarum in B16 melanoma cells. |
Bioorg Med Chem 17: 6048-53 (2009) | Kyoto Pharmaceutical University | 2D 3D TSV |
| 19615903 | 6 | In vivo targeting of tumor-associated carbonic anhydrases using acetazolamide derivatives. |
Bioorg Med Chem Lett 19: 4851-6 (2009) | Institute of Pharmaceutical Sciences | 2D 3D TSV |
| 19615901 | 52 | The P1N-isopropyl motif bearing hydroxyethylene dipeptide isostere analogues of aliskiren are in vitro potent inhibitors of the human aspartyl protease renin. |
Bioorg Med Chem Lett 19: 4863-7 (2009) | Nagasaki International University | 2D 3D TSV |
| 19615899 | 53 | Discovery of imidazo[1,2-a]pyridines as potent MCH1R antagonists. |
Bioorg Med Chem Lett 19: 4589-93 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19615897 | 28 | Synthesis and biological evaluation of 3,6-diamino-1H-pyrazolo[3,4-b]pyridine derivatives as protein kinase inhibitors. |
Bioorg Med Chem Lett 19: 4566-9 (2009) | Laboratorio de Radicales Libres y Química Computacional (IQOG, CSIC) | 2D 3D TSV |
| 19610652 | 26 | Investigation of the relative cellular permeability of DNA-binding pyrrole-imidazole polyamides. |
J Med Chem 52: 4604-12 (2009) | University of Texas Southwestern Medical Center | 2D 3D TSV |
| 19610618 | 41 | Inhibition of the insulin-like growth factor-1 receptor (IGF1R) tyrosine kinase as a novel cancer therapy approach. |
J Med Chem 52: 4981-5004 (2010) | University of South Florida | 2D 3D TSV |
| 19610616 | 29 | Combining hit identification strategies: fragment-based and in silico approaches to orally active 2-aminothieno[2,3-d]pyrimidine inhibitors of the Hsp90 molecular chaperone. |
J Med Chem 52: 4794-809 (2009) | Vernalis (R&D) Ltd | 2D 3D TSV |
| 19610604 | 8 | Inhibition of glyoxalase I: the first low-nanomolar tight-binding inhibitors. |
J Med Chem 52: 4650-6 (2009) | University of Minnesota | 2D 3D TSV |
| 19608421 | 39 | Novel indoline-based acyl-CoA: cholesterol acyltransferase inhibitor: Effects of introducing a methanesulfonamide group on physicochemical properties and biological activities. |
Bioorg Med Chem 17: 6020-31 (2009) | Kyoto Pharmaceutical Industries | 2D 3D TSV |
| 19608418 | 95 | Novel tricyclic antagonists of the prostaglandin D2 receptor DP2 with efficacy in a murine model of allergic rhinitis. |
Bioorg Med Chem Lett 19: 4647-51 (2009) | Amira Pharmaceuticals | 2D 3D TSV |
| 19608417 | 26 | Synthesis and biochemical evaluation of a range of sulfonated derivatives of 4-hydroxybenzyl imidazole as highly potent inhibitors of rat testicular 17alpha-hydroxylase/17,20-lyase (P-450(17alpha)). |
Bioorg Med Chem Lett 19: 4698-701 (2009) | University of the West of Scotland | 2D 3D TSV |
| 19608416 | 29 | Discovery of highly potent and selective biphenylacylsulfonamide-based beta3-adrenergic receptor agonists and molecular modeling based on the solved X-ray structure of the beta2-adrenergic receptor: part 6. |
Bioorg Med Chem Lett 19: 4679-83 (2009) | Astellas Pharma Inc | 2D 3D TSV |
| 19606904 | 8 | 3,5-Diphenylpent-2-enoic acids as allosteric activators of the protein kinase PDK1: structure-activity relationships and thermodynamic characterization of binding as paradigms for PIF-binding pocket-targeting compounds. |
J Med Chem 52: 4683-93 (2009) | Saarland University | 2D 3D TSV |
| 19606871 | 124 | N-O-isopropyl sulfonamido-based hydroxamates: design, synthesis and biological evaluation of selective matrix metalloproteinase-13 inhibitors as potential therapeutic agents for osteoarthritis. |
J Med Chem 52: 4757-73 (2009) | Universit£ di Pisa | 2D 3D TSV |
| 19606870 | 53 | Design, synthesis, and biological evaluation of 16-substituted 4-azasteroids as tissue-selective androgen receptor modulators (SARMs). |
J Med Chem 52: 4578-81 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19606869 | 41 | Dopamine D2, D3, and D4 selective phenylpiperazines as molecular probes to explore the origins of subtype specific receptor binding. |
J Med Chem 52: 4923-35 (2009) | Friedrich Alexander University | 2D 3D TSV |
| 19606868 | 2 | Neglected tropical diseases: multi-target-directed ligands in the search for novel lead candidates against Trypanosoma and Leishmania. |
J Med Chem 52: 7339-59 (2009) | University of Bologna | 2D 3D TSV |
| 19605350 | 18 | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines. |
J Biol Chem 284: 25211-9 (2009) | University of California, San Francisco | 2D 3D TSV |
| 19604696 | 6 | Discovery of a novel protein kinase B inhibitor by structure-based virtual screening. |
Bioorg Med Chem Lett 19: 4634-8 (2009) | Torrey Pines Institute for Molecular Studies | 2D 3D TSV |
| 19604695 | 49 | Synthesis and biological evaluation of imidazole derivatives as novel NOP/ORL1 receptor antagonists: exploration and optimization of alternative pyrazole structure. |
Bioorg Med Chem Lett 19: 4611-6 (2009) | Banyu Tsukuba Research Institute | 2D 3D TSV |
| 19604694 | 147 | Piperazinyl-glutamate-pyridines as potent orally bioavailable P2Y12 antagonists for inhibition of platelet aggregation. |
Bioorg Med Chem Lett 19: 4657-63 (2009) | Pfizer Global Research& Development | 2D 3D TSV |
| 19603809 | 59 | Identification of N,1,4,4-Tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor. |
J Med Chem 52: 5152-63 (2009) | Nerviano Medical Sciences Srl | 2D 3D TSV |
| 19597507 | 62 | A new glucagon and GLP-1 co-agonist eliminates obesity in rodents. |
Nat Chem Biol 5: 749-57 (2009) | Indiana University | 2D 3D TSV |
| 19596868 | 6 | High-throughput screening identifies three inhibitor classes of the telomere resolvase from the lyme disease spirochete. |
Antimicrob Agents Chemother 53: 4441-9 (2009) | University of Calgary | 2D 3D TSV |
| 19596583 | 36 | Synthesis and evaluation of a novel 2-azabicyclo[2.2.2]octane class of long chain fatty acid elongase 6 (ELOVL6) inhibitors. |
Bioorg Med Chem 17: 5639-47 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19596577 | 26 | Synthesis and enzymatic evaluation of novel partially fluorinated thiol dual ACE/NEP inhibitors. |
Bioorg Med Chem Lett 19: 4715-9 (2009) | Dipartimento di Chimica | 2D 3D TSV |
| 19596576 | 60 | Substituted pyrimidines as cannabinoid CB1 receptor ligands. |
Bioorg Med Chem Lett 19: 4692-7 (2009) | Green Cross Corporation | 2D 3D TSV |
| 19596575 | 2 | Design, synthesis and biological evaluation of new potent and highly selective ROS1-tyrosine kinase inhibitor. |
Bioorg Med Chem Lett 19: 4720-3 (2009) | Kyung Hee University | 2D 3D TSV |
| 19596199 | 13 | Selective inhibition of nicotinamide adenine dinucleotide kinases by dinucleoside disulfide mimics of nicotinamide adenine dinucleotide analogues. |
Bioorg Med Chem 17: 5656-64 (2009) | University of Minnesota | 2D 3D TSV |
| 19596198 | 14 | Design and synthesis of new 1,3-benzthiazinan-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors. |
Bioorg Med Chem 17: 5369-73 (2009) | Shahid Beheshti University (M.C) | 2D 3D TSV |
| 19596197 | 8 | Identification of potential cellular targets of aloisine A by affinity chromatography. |
Bioorg Med Chem 17: 5572-82 (2009) | CNRS USR-3151 | 2D 3D TSV |
| 19596193 | 72 | Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists. |
Bioorg Med Chem Lett 19: 4781-5 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19595599 | 14 | Muscarinic receptor 1 agonist activity of novel N-aryl carboxamide substituted 3-morpholino arecoline derivatives in Alzheimer's presenile dementia models. |
Bioorg Med Chem 17: 5526-34 (2009) | University of Mysore | 2D 3D TSV |
| 19595598 | 2 | 7-((4-Substituted)piperazin-1-yl) derivatives of ciprofloxacin: synthesis and in vitro biological evaluation as potential antitumor agents. |
Bioorg Med Chem 17: 5396-407 (2009) | Universit£ de Toulouse | 2D 3D TSV |
| 19595596 | 114 | Synthesis, cannabinoid receptor affinity, molecular modeling studies and in vivo pharmacological evaluation of new substituted 1-aryl-5-(1H-pyrrol-1-yl)-1H-pyrazole-3-carboxamides. 2. Effect of the 3-carboxamide substituent on the affinity and selectivity profile. |
Bioorg Med Chem 17: 5549-64 (2009) | Sapienza Universit£ di Roma | 2D 3D TSV |
| 19595591 | 37 | Synthesis and opioid receptor activity of indolopropellanes. |
Bioorg Med Chem Lett 19: 4603-6 (2009) | Chinese Academy of Sciences | 2D 3D TSV |
| 19595590 | 49 | Rational design of orally-active, pyrrolidine-based progesterone receptor partial agonists. |
Bioorg Med Chem Lett 19: 4777-80 (2009) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 19592258 | 20 | Parallel synthesis of potent dopaminergic N-phenyltriazole carboxamides applying a novel click chemistry based phenol linker. |
Bioorg Med Chem 17: 5482-7 (2009) | Friedrich Alexander University | 2D 3D TSV |
| 19592257 | 8 | Systematic syntheses of influenza neuraminidase inhibitors: a series of carbosilane dendrimers uniformly functionalized with thioglycoside-type sialic acid moieties. |
Bioorg Med Chem 17: 5451-64 (2009) | Saitama University | 2D 3D TSV |
| 19592247 | 26 | Highly tractable, sub-nanomolar non-steroidal glucocorticoid receptor agonists. |
Bioorg Med Chem Lett 19: 4846-50 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19592246 | 54 | Novel derivatives of ISO-1 as potent inhibitors of MIF biological function. |
Bioorg Med Chem Lett 19: 4773-6 (2009) | Piramal Life Sciences | 2D 3D TSV |
| 19592245 | 11 | Effect of flavonoids on androgen and glucocorticoid receptors based on in vitro reporter gene assay. |
Bioorg Med Chem Lett 19: 4706-10 (2009) | Meijo University | 2D 3D TSV |
| 19592244 | 61 | 7-Azaindole-3-acetic acid derivatives: potent and selective CRTh2 receptor antagonists. |
Bioorg Med Chem Lett 19: 4794-8 (2009) | Novartis Institutes of Biomedical Research | 2D 3D TSV |
| 19592243 | 66 | Novel, achiral aminoheterocycles as selective monoamine reuptake inhibitors. |
Bioorg Med Chem Lett 19: 4630-3 (2009) | Roche Palo Alto LLC | 2D 3D TSV |
| 19592242 | 29 | Pyrazole acids as niacin receptor agonists for the treatment of dyslipidemia. |
Bioorg Med Chem Lett 19: 4768-72 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19591488 | 24 | Synthesis and biological evaluation of guanidino compounds endowed with subnanomolar affinity as competitive inhibitors of maize polyamine oxidase. |
J Med Chem 52: 4774-85 (2009) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 19591487 | 38 | 3,4-Diaryl-isoxazoles and -imidazoles as potent dual inhibitors of p38alpha mitogen activated protein kinase and casein kinase 1delta. |
J Med Chem 52: 7618-30 (2009) | Eberhard-Karls-University | 2D 3D TSV |
| 19589677 | 65 | Imidazopyridine derivatives as potent and selective Polo-like kinase (PLK) inhibitors. |
Bioorg Med Chem Lett 19: 4673-8 (2009) | Banyu Tsukuba Research Institute | 2D 3D TSV |
| 19588945 | 55 | The glutamate receptor GluR5 agonist (S)-2-amino-3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)propionic acid and the 8-methyl analogue: synthesis, molecular pharmacology, and biostructural characterization. |
J Med Chem 52: 4911-22 (2009) | University of Copenhagen | 2D 3D TSV |
| 19588934 | 71 | Design of a new histamine H3 receptor antagonist chemotype: (3aR,6aR)-5-alkyl-1-aryl-octahydropyrrolo[3,4-b]pyrroles, synthesis, and structure-activity relationships. |
J Med Chem 52: 4640-9 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19586773 | 4 | Synthesis and characterization of 6-deoxy-6-fluoro-D-fructose as a potential compound for imaging breast cancer with PET. |
Bioorg Med Chem 17: 5488-95 (2009) | University of Alberta | 2D 3D TSV |
| 19586769 | 46 | FXR agonist activity of conformationally constrained analogs of GW 4064. |
Bioorg Med Chem Lett 19: 4733-9 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19583260 | 102 | Synthesis and in vitro evaluation of N-substituted maleimide derivatives as selective monoglyceride lipase inhibitors. |
J Med Chem 52: 7410-20 (2009) | Louvain Drug Research Institute | 2D 3D TSV |
| 19581100 | 162 | Discovery of novel thiourea derivatives as potent and selective beta3-adrenergic receptor agonists. |
Bioorg Med Chem 17: 5510-9 (2009) | Astellas Pharma Inc. | 2D 3D TSV |
| 19581086 | 37 | The identification and optimisation of novel and selective diamide neuropeptide Y Y2 receptor antagonists. |
Bioorg Med Chem Lett 19: 4022-5 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19580319 | 40 | Aromatic 2-(thio)ureidocarboxylic acids as a new family of modulators of multidrug resistance-associated protein 1: synthesis, biological evaluation, and structure-activity relationships. |
J Med Chem 52: 4586-95 (2009) | University of Bonn | 2D 3D TSV |
| 19580287 | 27 | Carbonic anhydrase-encoded dynamic constitutional libraries: toward the discovery of isozyme-specific inhibitors. |
J Med Chem 52: 4853-9 (2009) | ENSCM/UMII/UMR-CNRS 5635 | 2D 3D TSV |
| 19580286 | 44 | Nucleoside-5'-monophosphates as prodrugs of adenosine A2A receptor agonists activated by ecto-5'-nucleotidase. |
J Med Chem 52: 7669-77 (2009) | University of Bonn | 2D 3D TSV |
| 19578332 | 2 | Zebrafish chemical screening reveals an inhibitor of Dusp6 that expands cardiac cell lineages. |
Nat Chem Biol 5: 680-7 (2009) | University of Pittsburgh | 2D 3D TSV |
| 19577933 | 14 | Discriminatory synergistic effect of Trp-substitutions in superagonist [(Arg/Lys)(14), (Arg/Lys)(15)]nociceptin on ORL1 receptor binding and activation. |
Bioorg Med Chem 17: 5683-7 (2009) | Kyushu University | 2D 3D TSV |
| 19577470 | 49 | Synthesis and optimization of 2-pyridin-3-yl-benzo[d][1,3]oxazin-4-one based inhibitors of human neutrophil elastase. |
Bioorg Med Chem Lett 19: 4743-6 (2009) | ActivX Biosciences, Inc | 2D 3D TSV |
| 19577469 | 30 | Potent, orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. |
Bioorg Med Chem Lett 19: 4070-4 (2009) | Gilead Sciences, Inc. | 2D 3D TSV |
| 19577468 | 33 | The identification of potent, orally bioavailable tricyclic CGRP receptor antagonists. |
Bioorg Med Chem Lett 19: 4740-2 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19577467 | 2 | Synthesis, radiolabeling and preliminary in vivo evaluation of [18F]FE-PE2I, a new probe for the dopamine transporter. |
Bioorg Med Chem Lett 19: 4843-5 (2009) | Institutet | 2D 3D TSV |
| 19577344 | 43 | Heterocyclic replacement of the central phenyl core of diamine-based histamine H3 receptor antagonists. |
Eur J Med Chem 44: 4413-25 (2009) | Johnson& Johnson Pharmaceutical Research and Development | 2D 3D TSV |
| 19576786 | 129 | Identification, structure-activity relationships and molecular modeling of potent triamine and piperazine opioid ligands. |
Bioorg Med Chem 17: 5583-97 (2009) | Institute for Molecular Studies | 2D 3D TSV |
| 19576767 | 142 | From lead to preclinical candidate: optimization of beta-homophenylalanine based inhibitors of dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 19: 4818-23 (2009) | Santhera Pharmaceuticals (Switzerland) Ltd | 2D 3D TSV |
| 19576766 | 86 | Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists. |
Bioorg Med Chem Lett 19: 4747-51 (2009) | Pfizer Global Research& Development | 2D 3D TSV |
| 19576765 | 15 | Design and synthesis of BACE-1 inhibitors utilizing a tertiary hydroxyl motif as the transition state mimic. |
Bioorg Med Chem Lett 19: 4711-4 (2009) | Uppsala University | 2D 3D TSV |
| 19574056 | 25 | Discovery of novel dual functional agent as PPARgamma agonist and 11beta-HSD1 inhibitor for the treatment of diabetes. |
Bioorg Med Chem 17: 5722-32 (2009) | Chinese Academy of Sciences | 2D 3D TSV |
| 19574055 | 82 | Synergism of virtual screening and medicinal chemistry: identification and optimization of allosteric antagonists of metabotropic glutamate receptor 1. |
Bioorg Med Chem 17: 5708-15 (2009) | Merz Pharmaceuticals GmbH | 2D 3D TSV |
| 19574053 | 9 | Glucose-based spiro-heterocycles as potent inhibitors of glycogen phosphorylase. |
Bioorg Med Chem 17: 5696-707 (2009) | University of Debrecen | 2D 3D TSV |
| 19574047 | 42 | Part 1: 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 19: 4724-8 (2009) | Amgen Inc | 2D 3D TSV |
| 19574046 | 5 | Carbonic anhydrase inhibitors. Inhibition of the beta-class enzyme from the pathogenic yeast Candida glabrata with anions. |
Bioorg Med Chem Lett 19: 4802-5 (2009) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 19574045 | 44 | Novel inhibitors of the alphavbeta3 integrin--lead identification strategy. |
Bioorg Med Chem Lett 19: 4832-5 (2009) | AstraZeneca | 2D 3D TSV |
| 19572612 | 14 | Cytotoxic pentacyclic triterpenoids from Combretum sundaicum and Lantana camara as inhibitors of Bcl-xL/BakBH3 domain peptide interaction. |
J Nat Prod 72: 1314-20 (2009) | CNRS | 2D 3D TSV |
| 19572550 | 4 | Flaviviral protease inhibitors identified by fragment-based library docking into a structure generated by molecular dynamics. |
J Med Chem 52: 4860-8 (2009) | University of Zurich | 2D 3D TSV |
| 19572549 | 30 | Identification of inhibitors of checkpoint kinase 1 through template screening. |
J Med Chem 52: 4810-9 (2009) | The Institute of Cancer Research | 2D 3D TSV |
| 19572547 | 51 | 9-(Arenethenyl)purines as dual Src/Abl kinase inhibitors targeting the inactive conformation: design, synthesis, and biological evaluation. |
J Med Chem 52: 4743-56 (2009) | ARIAD Pharmaceuticals, Inc. | 2D 3D TSV |
| 19569717 | 251 | 1-alkyl-8-(piperazine-1-sulfonyl)phenylxanthines: development and characterization of adenosine A2B receptor antagonists and a new radioligand with subnanomolar affinity and subtype specificity. |
J Med Chem 52: 3994-4006 (2009) | Institute | 2D 3D TSV |
| 19564110 | 31 | Identification of MK-1925: a selective, orally active and brain-penetrable opioid receptor-like 1 (ORL1) antagonist. |
Bioorg Med Chem Lett 19: 4729-32 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19564108 | 48 | 4-(Phenylsulfonamidomethyl)benzamides as potent and selective inhibitors of the 11beta-hydroxysteroid dehydrogenase type 1 with efficacy in diabetic ob/ob mice. |
Bioorg Med Chem Lett 19: 4455-8 (2009) | Chinese Academy of Sciences | 2D 3D TSV |
| 19564107 | 20 | Synthesis and evaluation of 5-benzylidene(thio)barbiturate-beta-D-glycosides as mushroom tyrosinase inhibitors. |
Bioorg Med Chem Lett 19: 4055-8 (2009) | Sun Yat-sen University | 2D 3D TSV |
| 19561619 | 5 | Bioactivity-guided mapping and navigation of chemical space. |
Nat Chem Biol 5: 585-92 (2009) | Institut für Molekulare Physiologie | 2D 3D TSV |
| 19560931 | 15 | Synthesis and biological evaluation of new 4-carboxyl quinoline derivatives as cyclooxygenase-2 inhibitors. |
Bioorg Med Chem 17: 5312-7 (2009) | Shahid Beheshti University (M.C) | 2D 3D TSV |
| 19560930 | 69 | An extended study of dimeric phenyl tropanes. |
Bioorg Med Chem 17: 4900-9 (2009) | Aarhus University | 2D 3D TSV |
| 19560923 | 20 | Conformationally restricted homotryptamines. Part 5: 3-(trans-2-aminomethylcyclopentyl)indoles as potent selective serotonin reuptake inhibitors. |
Bioorg Med Chem Lett 19: 4031-3 (2009) | Bristol-Myers SquibbPharmaceutical Research Institute | 2D 3D TSV |
| 19560921 | 28 | Structure-Activity Relationship of novel phenylacetic CXCR1 inhibitors. |
Bioorg Med Chem Lett 19: 4026-30 (2009) | Grupo Uriach | 2D 3D TSV |
| 19560919 | 28 | Synthesis and evaluation of new endomorphin analogues modified at the Pro(2) residue. |
Bioorg Med Chem Lett 19: 4115-8 (2009) | Universit£ di Roma | 2D 3D TSV |
| 19560918 | 101 | Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part one: lead identification. |
Bioorg Med Chem Lett 19: 4799-801 (2009) | Cancer Therapeutics | 2D 3D TSV |
| 19560916 | 39 | Sulfonamides with the N-alkyl-N'-dialkylguanidine moiety as 5-HT7 receptor ligands. |
Bioorg Med Chem Lett 19: 4827-31 (2009) | Jagiellonian University Medical College | 2D 3D TSV |
| 19560363 | 118 | In vitro biological activity and structural analysis of 2,4-diamino-5-(2'-arylpropargyl)pyrimidine inhibitors of Candida albicans. |
Bioorg Med Chem 17: 4866-72 (2009) | University of Connecticut | 2D 3D TSV |
| 19560355 | 2 | Discovery of a new class of catalytic topoisomerase II inhibitors targeting the ATP-binding site by structure based design. Part I. |
Bioorg Med Chem Lett 19: 4014-7 (2009) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 19560354 | 12 | Evaluation of structurally diverse neuronal nicotinic receptor ligands for selectivity at the alpha6( *) subtype. |
Bioorg Med Chem Lett 19: 4359-63 (2009) | Targacept, Inc. | 2D 3D TSV |
| 19560353 | 3 | Identification of new Hsp90 inhibitors by structure-based virtual screening. |
Bioorg Med Chem Lett 19: 4839-42 (2009) | Seoul National University | 2D 3D TSV |
| 19559623 | 33 | 'Click' D(1) receptor agonists with a 5-HT(1A) receptor pharmacophore producing D(2) receptor activity. |
Bioorg Med Chem 17: 4873-80 (2009) | Chinese Academy of Sciences | 2D 3D TSV |
| 19558346 | 15 | Synthesis of a novel series of benzylether-containing cinnamoyl derivatives as histone deacetylase inhibitors. |
J Enzyme Inhib Med Chem 25: 132-8 (2010) | Shan Dong University | 2D 3D TSV |
| 19556128 | 8 | Tetrahydrocarbazole amides with potent activity against human papillomaviruses. |
Bioorg Med Chem Lett 19: 4110-4 (2009) | GlaxoSmithKline Research& Development | 2D 3D TSV |
| 19556125 | 42 | Discovery of a novel class of 2-mercaptohexanoic acid derivatives as highly active PPARalpha agonists. |
Bioorg Med Chem Lett 19: 4421-6 (2009) | Goethe-University Frankfurt | 2D 3D TSV |
| 19555163 | 35 | Design, synthesis, and biological evaluation of 3,4,5-trimethoxyphenyl acrylamides as antinarcotic agents. |
J Enzyme Inhib Med Chem 25: 38-43 (2010) | Ewha Womans University | 2D 3D TSV |
| 19555126 | 38 | Apogossypol derivatives as pan-active inhibitors of antiapoptotic B-cell lymphoma/leukemia-2 (Bcl-2) family proteins. |
J Med Chem 52: 4511-23 (2009) | Burnham Institute for Medical Research | 2D 3D TSV |
| 19555125 | 16 | Tyrosinase-inhibitory constituents from the twigs of Cinnamomum cassia. |
J Nat Prod 72: 1205-8 (2009) | Chungnam National University | 2D 3D TSV |
| 19555120 | 11 | Botryllamides: Natural Product Inhibitors of ABCG2. |
ACS Chem Biol 4: 637-47 (2009) | SAIC-Frederick | 2D 3D TSV |
| 19555113 | 45 | Cell division cycle 7 kinase inhibitors: 1H-pyrrolo[2,3-b]pyridines, synthesis and structure-activity relationships. |
J Med Chem 52: 4380-90 (2009) | Nerviano Medical Sciences | 2D 3D TSV |
| 19553115 | 96 | Brain-penetrating 2-aminobenzimidazole H(1)-antihistamines for the treatment of insomnia. |
Bioorg Med Chem Lett 19: 4380-4 (2009) | Neurocrine Biosciences | 2D 3D TSV |
| 19553114 | 38 | Synthesis and SAR of novel tricyclic quinoxalinone inhibitors of poly(ADP-ribose)polymerase-1 (PARP-1). |
Bioorg Med Chem Lett 19: 4050-4 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19553113 | 143 | Dopamine D(3) receptor antagonists: The quest for a potentially selective PET ligand. Part two: Lead optimization. |
Bioorg Med Chem Lett 19: 4011-3 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19553112 | 39 | Discovery and optimization of a novel Neuromedin B receptor antagonist. |
Bioorg Med Chem Lett 19: 4264-7 (2009) | Amgen Inc. | 2D 3D TSV |
| 19553111 | 13 | Amidine derived inhibitors of acid-sensing ion channel-3 (ASIC3). |
Bioorg Med Chem Lett 19: 4059-63 (2009) | Merck. | 2D 3D TSV |
| 19553110 | 16 | Development of a selective and potent radioactive ligand for histamine H(3) receptors: A compound potentially useful for receptor occupancy studies. |
Bioorg Med Chem Lett 19: 4075-8 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19553108 | 3 | Discovery and structural analysis of Eph receptor tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 19: 4467-70 (2009) | Institute | 2D 3D TSV |
| 19553107 | 27 | Identification of aminoethyl pyrrolo dihydroisoquinolinones as novel poly(ADP-ribose) polymerase-1 inhibitors. |
Bioorg Med Chem Lett 19: 4042-5 (2009) | IRBM--Merck Research Laboratories Rome | 2D 3D TSV |
| 19552984 | 28 | Inhibitory effects of 5-benzylidene barbiturate derivatives on mushroom tyrosinase and their antibacterial activities. |
Eur J Med Chem 44: 4235-43 (2009) | Sun Yat-sen University | 2D 3D TSV |
| 19552437 | 50 | Synthesis, structure-activity relationships, and in vivo evaluation of N3-phenylpyrazinones as novel corticotropin-releasing factor-1 (CRF1) receptor antagonists. |
J Med Chem 52: 4173-91 (2009) | Bristol-Myers Squibb Company | 2D 3D TSV |
| 19552436 | 43 | In vitro intrinsic clearance-based optimization of N3-phenylpyrazinones as corticotropin-releasing factor-1 (CRF1) receptor antagonists. |
J Med Chem 52: 4161-72 (2009) | Bristol-Myers Squibb Company | 2D 3D TSV |
| 19552432 | 90 | Octahydropyrrolo[3,4-c]pyrrole: a diamine scaffold for construction of either alpha4beta2 or alpha7-selective nicotinic acetylcholine receptor (nAChR) ligands. Substitutions that switch subtype selectivity. |
J Med Chem 52: 4126-41 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19552431 | 104 | Novel small molecule bradykinin B2 receptor antagonists. |
J Med Chem 52: 4370-9 (2009) | Jerini AG | 2D 3D TSV |
| 19549076 | 26 | Carbonic anhydrase inhibitors: inhibition of cytosolic carbonic anhydrase isozymes II and VII with simple aromatic sulfonamides and some azo dyes. |
Chem Biol Drug Des 74: 196-202 (2009) | Universita degli Studi di Firenze | 2D 3D TSV |
| 19548782 | 6 | Effect of some analgesics on paraoxonase-1 purified from human serum. |
J Enzyme Inhib Med Chem 24: 1034-9 (2009) | Atatürk University | 2D 3D TSV |
| 19548687 | 67 | Synthesis, binding, and modeling studies of new cytisine derivatives, as ligands for neuronal nicotinic acetylcholine receptor subtypes. |
J Med Chem 52: 4345-57 (2009) | Università degli Studi di Genova | 2D 3D TSV |
| 19545120 | 8 | Structure-activity relationships and cancer-cell selective toxicity of novel inhibitors of glioma-associated oncogene homologue 1 (Gli1) mediated transcription. |
J Med Chem 52: 4277-87 (2009) | St Jude Children's Research Hospital | 2D 3D TSV |
| 19541490 | 12 | Synthesis and biological evaluation of SANT-2 and analogues as inhibitors of the hedgehog signaling pathway. |
Bioorg Med Chem 17: 4943-54 (2009) | University of Leipzig | 2D 3D TSV |
| 19541487 | 49 | Optimization of peptide-based inhibitors of prostate-specific antigen (PSA) as targeted imaging agents for prostate cancer. |
Bioorg Med Chem 17: 4888-93 (2009) | The Johns Hopkins University School of Medicine | 2D 3D TSV |
| 19541484 | 45 | Identification of substituted pyrazolo[1,5-a]quinazolin-5(4H)-one as potent poly(ADP-ribose)polymerase-1 (PARP-1) inhibitors. |
Bioorg Med Chem Lett 19: 4196-200 (2009) | IRBM - Merck Research Laboratories Rome | 2D 3D TSV |
| 19541482 | 37 | Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part II: Identification of 4-ethylamino-3-(2-hydroxyethoxy)-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide and its biological evaluation. |
Bioorg Med Chem Lett 19: 4159-66 (2009) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 19541481 | 57 | Cyanoguanidine-based lactam derivatives as a novel class of orally bioavailable factor Xa inhibitors. |
Bioorg Med Chem Lett 19: 4034-41 (2009) | Bristol-Myers Squibb Company | 2D 3D TSV |
| 19540767 | 25 | Bioactive conformation analysis of cyclic imides as protoporphyrinogen oxidase inhibitor by combining DFT calculations, QSAR and molecular dynamic simulations. |
Bioorg Med Chem 17: 4935-42 (2009) | Central China Normal University | 2D 3D TSV |
| 19540766 | 4 | Nucleoside-amino acid conjugates: An alternative route to the design of ribonuclease A inhibitors. |
Bioorg Med Chem 17: 4921-7 (2009) | Institute of Technology | 2D 3D TSV |
| 19540765 | 10 | Purinergic P2X(7) receptor antagonists: Chemistry and fundamentals of biological screening. |
Bioorg Med Chem 17: 4861-5 (2009) | University of Sydney | 2D 3D TSV |
| 19540763 | 4 | Synthesis and investigations of double-pharmacophore ligands for treatment of chronic and neuropathic pain. |
Bioorg Med Chem 17: 5044-53 (2009) | University of Arizona | 2D 3D TSV |
| 19540762 | 3 | Tetrahydroisoquinolines as dopaminergic ligands: 1-Butyl-7-chloro-6-hydroxy-tetrahydroisoquinoline, a new compound with antidepressant-like activity in mice. |
Bioorg Med Chem 17: 4968-80 (2009) | Universidad de Valencia | 2D 3D TSV |
| 19540759 | 61 | Novel and potent inhibitors of stearoyl-CoA desaturase-1. Part I: Discovery of 3-(2-hydroxyethoxy)-4-methoxy-N-[5-(3-trifluoromethylbenzyl)thiazol-2-yl]benzamide. |
Bioorg Med Chem Lett 19: 4151-8 (2009) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 19540628 | 2 | Aziridine alkaloids as potential therapeutic agents. |
Eur J Med Chem 44: 3373-87 (2009) | Liverpool John Moores University | 2D 3D TSV |
| 19540112 | 33 | Identification, synthesis and SAR of amino substituted pyrido[3,2b]pyrazinones as potent and selective PDE5 inhibitors. |
Bioorg Med Chem Lett 19: 4088-91 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19540111 | 24 | Discovery of novel 2-(pyridine-2-yl)-1H-benzimidazole derivatives as potent glucokinase activators. |
Bioorg Med Chem Lett 19: 4450-4 (2009) | Banyu Tsukuba Research Institute | 2D 3D TSV |
| 19539483 | 78 | Separation of alpha-glucosidase-inhibitory and liver X receptor-antagonistic activities of phenethylphenyl phthalimide analogs and generation of LXRalpha-selective antagonists. |
Bioorg Med Chem 17: 5001-14 (2009) | The University of Tokyo | 2D 3D TSV |
| 19539481 | 68 | Carbonic anhydrase inhibitors. Aromatic/heterocyclic sulfonamides incorporating phenacetyl, pyridylacetyl and thienylacetyl tails act as potent inhibitors of human mitochondrial isoforms VA and VB. |
Bioorg Med Chem 17: 4894-9 (2009) | Istanbul University | 2D 3D TSV |
| 19539480 | 7 | A new small molecule that directly inhibits the DNA binding of NF-kappaB. |
Bioorg Med Chem 17: 5293-7 (2009) | Tokushima Bunri University | 2D 3D TSV |
| 19539471 | 130 | Aminopiperidine-fused imidazoles as dipeptidyl peptidase-IV inhibitors. |
Bioorg Med Chem Lett 19: 4097-101 (2009) | Merck& Co. Inc. | 2D 3D TSV |
| 19539468 | 6 | Investigation of aminopyridiopyrazinones as PDE5 inhibitors: Evaluation of modifications to the central ring system. |
Bioorg Med Chem Lett 19: 4092-6 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19539407 | 18 | Chiral 3-(4,5-dihydrooxazol-2-yl)phenyl alkylcarbamates as novel FAAH inhibitors: Insight into FAAH enantioselectivity by molecular docking and interaction fields. |
Eur J Med Chem 44: 4179-91 (2009) | Helsinki University of Technology | 2D 3D TSV |
| 19537798 | 22 | Identification of an orally active opioid receptor-like 1 (ORL1) receptor antagonist 4-{3-[(2R)-2,3-dihydroxypropyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}-1-[(1S,3S,4R)-spiro[bicyclo[2.2.1]heptane-2,1'-cyclopropan]-3-ylmethyl]piperidine as clinical candidate. |
J Med Chem 52: 4091-4 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19537763 | 24 | Discovery of molecular switches that modulate modes of metabotropic glutamate receptor subtype 5 (mGlu5) pharmacology in vitro and in vivo within a series of functionalized, regioisomeric 2- and 5-(phenylethynyl)pyrimidines. |
J Med Chem 52: 4103-6 (2009) | Vanderbilt University Medical Center | 2D 3D TSV |
| 19537690 | 24 | L337H mutant of rat neuronal nitric oxide synthase resembles human neuronal nitric oxide synthase toward inhibitors. |
J Med Chem 52: 4533-7 (2009) | Northwestern University | 2D 3D TSV |
| 19534556 | 57 | Improved, selective, human intestinal carboxylesterase inhibitors designed to modulate 7-ethyl-10-[4-(1-piperidino)-1-piperidino]carbonyloxycamptothecin (Irinotecan; CPT-11) toxicity. |
J Med Chem 52: 3742-52 (2009) | St. Jude Children's Research Hospital | 2D 3D TSV |
| 19534555 | 11 | Structure-activity study of new inhibitors of human betaine-homocysteine S-methyltransferase. |
J Med Chem 52: 3652-65 (2009) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 19534531 | 115 | Side chain flexibilities in the human ether-a-go-go related gene potassium channel (hERG) together with matched-pair binding studies suggest a new binding mode for channel blockers. |
J Med Chem 52: 4266-76 (2009) | AstraZeneca | 2D 3D TSV |
| 19530700 | 8 | Identification of peptide substrate and small molecule inhibitors of testis-specific serine/threonine kinase1 (TSSK1) by the developed assays. |
J Med Chem 52: 4419-28 (2009) | Chinese Academy of Medical Sciences & Peking Union Medical College | 2D 3D TSV |
| 19530697 | 59 | Discovery of 2-[5-(4-chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-ethyl-1H-pyrazol-3-yl]-1,5,5-trimethyl-1,5-dihydro-imidazol-4-thione (BPR-890) via an active metabolite. A novel, potent and selective cannabinoid-1 receptor inverse agonist with high antiobesity efficacy in DIO mice. |
J Med Chem 52: 4496-510 (2009) | National Health Research Institutes | 2D 3D TSV |
| 19530681 | 79 | Discovery of a peroxisome proliferator activated receptor gamma (PPARgamma) modulator with balanced PPARalpha activity for the treatment of type 2 diabetes and dyslipidemia. |
J Med Chem 52: 4443-53 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19528275 | 11 | Identification and biochemical characterization of small-molecule inhibitors of Clostridium botulinum neurotoxin serotype A. |
Antimicrob Agents Chemother 53: 3478-86 (2009) | U.S. Army Medical Research Institute of Infectious Diseases | 2D 3D TSV |
| 19527931 | 19 | Structure-activity studies on the nociceptin/orphanin FQ receptor antagonist 1-benzyl-N-{3-[spiroisobenzofuran-1(3H),4'-piperidin-1-yl]propyl} pyrrolidine-2-carboxamide. |
Bioorg Med Chem 17: 5080-95 (2009) | University of Ferrara | 2D 3D TSV |
| 19527930 | 53 | The protein tyrosine kinase inhibitors imatinib and nilotinib strongly inhibit several mammalian alpha-carbonic anhydrase isoforms. |
Bioorg Med Chem Lett 19: 4102-6 (2009) | University of Tampere and Tampere University Hospital | 2D 3D TSV |
| 19527929 | 1 | Design, synthesis and evaluation of aspirin analogues having an additional carboxylate substituent for antithrombotic activity. |
Bioorg Med Chem Lett 19: 4213-6 (2009) | Royal College of Surgeons in Ireland | 2D 3D TSV |
| 19527048 | 19 | Chemical and biological investigation of cyclopropyl containing diaryl-pyrazole-3-carboxamides as novel and potent cannabinoid type 1 receptor antagonists. |
J Med Chem 52: 4329-37 (2009) | Gedeon Richter Plc | 2D 3D TSV |
| 19527033 | 11 | One scaffold, three binding modes: novel and selective pteridine reductase 1 inhibitors derived from fragment hits discovered by virtual screening. |
J Med Chem 52: 4454-65 (2009) | University of Dundee | 2D 3D TSV |
| 19527032 | 5 | Virtual screening approach for the identification of new Rac1 inhibitors. |
J Med Chem 52: 4087-90 (2009) | Universit£ degli Studi di Milano | 2D 3D TSV |
| 19527031 | 24 | Inhibition of hypoxanthine-guanine phosphoribosyltransferase by acyclic nucleoside phosphonates: a new class of antimalarial therapeutics. |
J Med Chem 52: 4391-9 (2009) | The University of Queensland | 2D 3D TSV |
| 19525117 | 30 | Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode. |
Bioorg Med Chem 17: 5336-41 (2009) | GSK | 2D 3D TSV |
| 19525116 | 43 | Novel orally active NPY Y5 receptor antagonists: Synthesis and structure-activity relationship of spiroindoline class compounds. |
Bioorg Med Chem 17: 5015-26 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19525112 | 1 | [(11)C]PR04.MZ, a promising DAT ligand for low concentration imaging: Synthesis, efficient (11)C-O-methylation and initial small animal PET studies. |
Bioorg Med Chem Lett 19: 4343-5 (2009) | Brookhaven National Laboratory | 2D 3D TSV |
| 19525110 | 46 | Diaminocyclobutenediones as potent and orally bioavailable CXCR2 receptor antagonists: SAR in the phenolic amide region. |
Bioorg Med Chem Lett 19: 4446-9 (2009) | Schering-Plough Research Institute | 2D 3D TSV |
| 19524439 | 14 | N-[(Dihydroxyphenyl)acyl]serotonins as potent inhibitors of tyrosinase from mouse and human melanoma cells. |
Bioorg Med Chem Lett 19: 4178-82 (2009) | National Institute of Advanced Industrial Science and Technology | 2D 3D TSV |
| 19524438 | 38 | 5-N,N-Disubstituted 5-aminopyrazole-3-carboxylic acids are highly potent agonists of GPR109b. |
Bioorg Med Chem Lett 19: 4207-9 (2009) | Arena Pharmaceuticals | 2D 3D TSV |
| 19524437 | 31 | Selective naphthalene H(3) receptor inverse agonists with reduced potential to induce phospholipidosis and their quinoline analogs. |
Bioorg Med Chem Lett 19: 4495-500 (2009) | Hoffmann-La Roche Ltd | 2D 3D TSV |
| 19524436 | 27 | Regioselective synthesis of methylated epigallocatechin gallate via nitrobenzenesulfonyl (Ns) protecting group. |
Bioorg Med Chem Lett 19: 4171-4 (2009) | University of Shizuoka and Global COE Program | 2D 3D TSV |
| 19524331 | 33 | Diamine-based human histamine H3 receptor antagonists: (4-aminobutyn-1-yl)benzylamines. |
Eur J Med Chem 44: 4098-106 (2009) | Johnson& Johnson Pharmaceutical Research& Development | 2D 3D TSV |
| 19523837 | 54 | Synthesis and structure-activity relationship of 3beta-(4-alkylthio, -methylsulfinyl, and -methylsulfonylphenyl)tropane and 3beta-(4-alkylthiophenyl)nortropane derivatives for monoamine transporters. |
Bioorg Med Chem 17: 5126-32 (2009) | Research Triangle Institute | 2D 3D TSV |
| 19523835 | 14 | Synthesis of uracil nucleotide analogs with a modified, acyclic ribose moiety as P2Y(2) receptor antagonists. |
Bioorg Med Chem 17: 5071-9 (2009) | University of Bonn | 2D 3D TSV |
| 19523834 | 79 | Novel 1-aminoethyl-3-arylsulfonyl-1H-pyrrolo[2,3-b]pyridines are potent 5-HT(6) agonists. |
Bioorg Med Chem 17: 5153-63 (2009) | Wyeth Research | 2D 3D TSV |
| 19523833 | 33 | 2D-QSAR and 3D-QSAR/CoMFA analyses of the N-terminal substituted anthranilic acid based CCK(1) receptor antagonists: 'Hic Rhodus, hic saltus'. |
Bioorg Med Chem 17: 5198-206 (2009) | Aristotelian University of Thessaloniki | 2D 3D TSV |
| 19523825 | 6 | A stabilized demethoxyviridin derivative inhibits PI3 kinase. |
Bioorg Med Chem Lett 19: 4223-7 (2009) | Harvard Medical School | 2D 3D TSV |
| 19523824 | 3 | Prolonged stability by cyclization: Macrocyclic phosphino dipeptide isostere inhibitors of beta-secretase (BACE1). |
Bioorg Med Chem Lett 19: 4427-31 (2009) | Technische Universit£t M£nchen | 2D 3D TSV |
| 19523822 | 33 | Identification and optimisation of a novel series of pyrimidine based cyclooxygenase-2 (COX-2) inhibitors. Utilisation of a biotransformation approach. |
Bioorg Med Chem Lett 19: 4509-14 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19522501 | 4 | Synergistic effect of zanamivir-porphyrin conjugates on inhibition of neuraminidase and inactivation of influenza virus. |
J Med Chem 52: 4903-10 (2009) | National Taiwan University | 2D 3D TSV |
| 19522500 | 35 | Synthesis and biological evaluation of a novel 3-sulfonyl-8-azabicyclo[3.2.1]octane class of long chain fatty acid elongase 6 (ELOVL6) inhibitors. |
J Med Chem 52: 4111-4 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19522465 | 102 | Design, synthesis, and evaluation of indolinones as triple angiokinase inhibitors and the discovery of a highly specific 6-methoxycarbonyl-substituted indolinone (BIBF 1120). |
J Med Chem 52: 4466-80 (2009) | Boehringer Ingelheim Pharma GmbH&Co KG | 2D 3D TSV |
| 19522464 | 3 | Structural assessment and biological evaluation of two N3S bombesin derivatives. |
J Med Chem 52: 4234-46 (2009) | Institutes of Radioisotopes-Radiodiagnostic Products and Biology | 2D 3D TSV |
| 19522463 | 1 | Discovery of a potent and orally active hedgehog pathway antagonist (IPI-926). |
J Med Chem 52: 4400-18 (2009) | Infinity Pharmaceuticals, Inc | 2D 3D TSV |
| 19520578 | 11 | Synthesis of novel purine nucleosides towards a selective inhibition of human butyrylcholinesterase. |
Bioorg Med Chem 17: 5106-16 (2009) | Faculdade de Ci£ncias da Universidade de Lisboa | 2D 3D TSV |
| 19520577 | 111 | Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. |
Bioorg Med Chem 17: 5054-8 (2009) | MC-98000 Princ | 2D 3D TSV |
| 19520575 | 49 | Unsymmetrical non-adamantyl N,N'-diaryl urea and amide inhibitors of soluble expoxide hydrolase. |
Bioorg Med Chem Lett 19: 4259-63 (2009) | Arete Therapeutics, Inc. | 2D 3D TSV |
| 19520574 | 49 | Synthesis, structure-activity relationships, and biological profiles of a dihydrobenzoxathiin class of histamine H(3) receptor inverse agonists. |
Bioorg Med Chem Lett 19: 4232-6 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19520573 | 108 | Identification of [4-[4-(methylsulfonyl)phenyl]-6-(trifluoromethyl)-2-pyrimidinyl] amines and ethers as potent and selective cyclooxygenase-2 inhibitors. |
Bioorg Med Chem Lett 19: 4504-8 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19520572 | 55 | Discovery and functional evaluation of diverse novel human CB(1) receptor ligands. |
Bioorg Med Chem Lett 19: 4183-90 (2009) | Vernalis (R&D) Ltd | 2D 3D TSV |
| 19520086 | 27 | Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. |
J Mol Biol 391: 552-64 (2009) | Philipps-University Marburg | 2D 3D TSV |
| 19519743 | 6 | Potent triazolothione inhibitor of heat-shock protein-90. |
Chem Biol Drug Des 74: 43-50 (2009) | Bayer Healthcare, | 2D 3D TSV |
| 19515568 | 1 | Synthesis and biological evaluation of (11)C-labeled beta-galactosyl triazoles as potential PET tracers for in vivo LacZ reporter gene imaging. |
Bioorg Med Chem 17: 5117-25 (2009) | Katholieke Universiteit Leuven | 2D 3D TSV |
| 19515567 | 29 | SAR and biological evaluation of SEN12333/WAY-317538: Novel alpha 7 nicotinic acetylcholine receptor agonist. |
Bioorg Med Chem 17: 5247-58 (2009) | Wyeth Research | 2D 3D TSV |
| 19515564 | 3 | Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase. |
Bioorg Med Chem Lett 19: 4350-3 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19515560 | 24 | Fatty acid amide hydrolase inhibitors. Surprising selectivity of chiral azetidine ureas. |
Bioorg Med Chem Lett 19: 4241-4 (2009) | Vernalis (R&D) Ltd | 2D 3D TSV |
| 19515558 | 120 | Dipeptidyl nitrile inhibitors of Cathepsin L. |
Bioorg Med Chem Lett 19: 4280-3 (2009) | AstraZeneca | 2D 3D TSV |
| 19515557 | 47 | Discovery of beta-homophenylalanine based pyrrolidin-2-ylmethyl amides and sulfonamides as highly potent and selective inhibitors of dipeptidyl peptidase IV. |
Bioorg Med Chem Lett 19: 4201-3 (2009) | Santhera Pharmaceuticals (Switzerland) Ltd | 2D 3D TSV |
| 19515556 | 12 | HIF-1alpha peptide derivatives with modifications at the hydroxyproline residue as activators of HIF-1alpha. |
Bioorg Med Chem Lett 19: 4403-5 (2009) | Institute of Science and Technology | 2D 3D TSV |
| 19507862 | 42 | Discovery of potent competitive inhibitors of indoleamine 2,3-dioxygenase with in vivo pharmacodynamic activity and efficacy in a mouse melanoma model. |
J Med Chem 52: 7364-7 (2009) | Incyte Corporation | 2D 3D TSV |
| 19507861 | 18 | Discovery of (2R)-2-(3-{3-[(4-Methoxyphenyl)carbonyl]-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl}phenoxy)butanoic acid (MK-0533): a novel selective peroxisome proliferator-activated receptor gamma modulator for the treatment of type 2 diabetes mellitus with a reduced potential to increase plasma a |
J Med Chem 52: 3846-54 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19505825 | 12 | Structure-activity relationships of memoquin: Influence of the chain chirality in the multi-target mechanism of action. |
Bioorg Med Chem Lett 19: 4312-5 (2009) | Alma Mater Studiorum-Bologna University | 2D 3D TSV |
| 19505824 | 36 | Synthesis and structure-activity relationships of gamma-carboline derivatives as potent and selective cysLT(1) antagonists. |
Bioorg Med Chem Lett 19: 4299-302 (2009) | Universitat de Barcelona | 2D 3D TSV |
| 19505081 | 3 | Eusynstyelamides A, B, and C, nNOS inhibitors, from the ascidian Eusynstyela latericius. |
J Nat Prod 72: 1115-20 (2009) | Institute of Marine Science | 2D 3D TSV |
| 19502066 | 25 | Molecular recognition in the P2Y(14) receptor: Probing the structurally permissive terminal sugar moiety of uridine-5'-diphosphoglucose. |
Bioorg Med Chem 17: 5298-311 (2009) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 19502059 | 11 | Application of a 3,3-diphenylpentane skeleton as a multi-template for creation of HMG-CoA reductase inhibitors. |
Bioorg Med Chem Lett 19: 4228-31 (2009) | The University of Tokyo | 2D 3D TSV |
| 19502057 | 26 | Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives as novel small molecule chaperone amplifiers. |
Bioorg Med Chem Lett 19: 4303-7 (2009) | CytRx Corporation | 2D 3D TSV |
| 19502054 | 3 | Identification of a chromone-based retinoid containing a polyolefinic side chain via facile synthetic routes. |
Bioorg Med Chem Lett 19: 4339-42 (2009) | Temple University | 2D 3D TSV |
| 19501513 | 474 | Combining selectivity and affinity predictions using an integrated Support Vector Machine (SVM) approach: An alternative tool to discriminate between the human adenosine A(2A) and A(3) receptor pyrazolo-triazolo-pyrimidine antagonists binding sites. |
Bioorg Med Chem 17: 5259-74 (2009) | Universit£ di Padova | 2D 3D TSV |
| 19501510 | 15 | SAR of a series of inhaled A(2A) agonists and comparison of inhaled pharmacokinetics in a preclinical model with clinical pharmacokinetic data. |
Bioorg Med Chem Lett 19: 4471-5 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19500994 | 18 | Diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of 5-(4-carboxymethylphenyl)-1-(4-methanesulfonylphenyl)-3-trifluoromethyl-1H-pyrazole and its aminosulfonyl analog: Synthesis, biological evaluation and nitric oxide release studies. |
Bioorg Med Chem 17: 5182-8 (2009) | University of Alberta | 2D 3D TSV |
| 19500993 | 42 | Design and synthesis of 3,5-diarylisoxazole derivatives as novel class of anti-hyperglycemic and lipid lowering agents. |
Bioorg Med Chem 17: 5285-92 (2009) | Central Drug Research Institute | 2D 3D TSV |
| 19500982 | 93 | Optimization of piperidin-4-yl-urea-containing melanin-concentrating hormone receptor 1 (MCH-R1) antagonists: Reducing hERG-associated liabilities. |
Bioorg Med Chem Lett 19: 4274-9 (2009) | AstraZeneca R&D M£lndal | 2D 3D TSV |
| 19500981 | 26 | Rapid assessment of a novel series of selective CB(2) agonists using parallel synthesis protocols: A Lipophilic Efficiency (LipE) analysis. |
Bioorg Med Chem Lett 19: 4406-9 (2009) | Pfizer Discovery Chemistry | 2D 3D TSV |
| 19500979 | 74 | Optimization of 2-piperidin-4-yl-acetamides as melanin-concentrating hormone receptor 1 (MCH-R1) antagonists: Designing out hERG inhibition. |
Bioorg Med Chem Lett 19: 4268-73 (2009) | AstraZeneca R&D M£lndal | 2D 3D TSV |
| 19500977 | 20 | Structure-based virtual screening approach to identify novel classes of Cdc25B phosphatase inhibitors. |
Bioorg Med Chem Lett 19: 4372-5 (2009) | Sejong University | 2D 3D TSV |
| 19500885 | 10 | An efficient steroid pharmacophore-based strategy to identify new aromatase inhibitors. |
Eur J Med Chem 44: 4121-7 (2009) | Universidade de Coimbra | 2D 3D TSV |
| 19500884 | 1 | Studies towards the identification of putative bioactive conformation of potent vasodilator arylidene N-acylhydrazone derivatives. |
Eur J Med Chem 44: 4004-9 (2009) | Universidade Federal do Rio de Janeiro | 2D 3D TSV |
| 19499950 | 64 | Functionalized congeners of A3 adenosine receptor-selective nucleosides containing a bicyclo[3.1.0]hexane ring system. |
J Med Chem 52: 7580-92 (2009) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 19499921 | 7 | A small-molecule inhibitor of Nipah virus envelope protein-mediated membrane fusion. |
J Med Chem 52: 4257-65 (2009) | University of W£rzburg | 2D 3D TSV |
| 19497745 | 21 | Design and synthesis of orally bioavailable serum and glucocorticoid-regulated kinase 1 (SGK1) inhibitors. |
Bioorg Med Chem Lett 19: 4441-5 (2009) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 19497739 | 66 | Structure-based de novo design and biochemical evaluation of novel Cdc25 phosphatase inhibitors. |
Bioorg Med Chem Lett 19: 4330-4 (2009) | Sejong University | 2D 3D TSV |
| 19497644 | 147 | QSAR study of Akt/protein kinase B (PKB) inhibitors using support vector machine. |
Eur J Med Chem 44: 4090-7 (2009) | Zhejiang University | 2D 3D TSV |
| 19493592 | 30 | Active site directed docking studies: synthesis and pharmacological evaluation of cis-2,6-dimethyl piperidine sulfonamides as inhibitors of acetylcholinesterase. |
Eur J Med Chem 44: 4057-62 (2009) | University of Mysore | 2D 3D TSV |
| 19493591 | 7 | Synthesis and evaluation of A-seco type triterpenoids for anti-HIV-1protease activity. |
Eur J Med Chem 44: 4112-20 (2009) | University of Toyama | 2D 3D TSV |
| 19492852 | 44 | Structural optimization and biological evaluation of 2-substituted 5-hydroxyindole-3-carboxylates as potent inhibitors of human 5-lipoxygenase. |
J Med Chem 52: 3474-83 (2009) | Friedrich Alexander University Erlangen | 2D 3D TSV |
| 19492850 | 15 | Antagonism of c-IAP and XIAP proteins is required for efficient induction of cell death by small-molecule IAP antagonists. |
ACS Chem Biol 4: 557-66 (2009) | Genentech | 2D 3D TSV |
| 19492813 | 56 | Antagonists of the calcium receptor I. Amino alcohol-based parathyroid hormone secretagogues. |
J Med Chem 52: 3982-93 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19489538 | 1 | Inhibition of sphingosine-1-phosphate lyase for the treatment of autoimmune disorders. |
J Med Chem 52: 3941-53 (2009) | Princ | 2D 3D TSV |
| 19487124 | 39 | Discovery of novel aminothiadiazole amides as selective EP(3) receptor antagonists. |
Bioorg Med Chem Lett 19: 4292-5 (2009) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 19487123 | 31 | Optimization of a series of 2,4-diaminopyridines as neuropeptide Y Y1 receptor antagonists with reduced hERG activity. |
Bioorg Med Chem Lett 19: 4325-9 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19485411 | 2 | Site-activated multifunctional chelator with acetylcholinesterase and neuroprotective-neurorestorative moieties for Alzheimer's therapy. |
J Med Chem 52: 4095-8 (2009) | Institute of Science | 2D 3D TSV |
| 19483697 | 23 | Phage-encoded combinatorial chemical libraries based on bicyclic peptides. |
Nat Chem Biol 5: 502-7 (2009) | Laboratory of Molecular Biology, Medical Research Council | 2D 3D TSV |
| 19482478 | 5 | Retinoid receptor subtype-selective modulators through synthetic modifications of RARgamma agonists. |
Bioorg Med Chem 17: 4345-59 (2009) | Universidade de Vigo | 2D 3D TSV |
| 19482472 | 30 | Bicyclic cyanothiazolidines as novel dipeptidyl peptidase 4 inhibitors. |
Bioorg Med Chem Lett 19: 4437-40 (2009) | Phenomix Corporation | 2D 3D TSV |
| 19482383 | 23 | Synthesis and bioactivity of substituted indan-1-ylideneaminoguanidine derivatives. |
Eur J Med Chem 44: 3771-6 (2009) | China Pharmaceutical University | 2D 3D TSV |
| 19481947 | 36 | Potential antioxidants and tyrosinase inhibitors from synthetic polyphenolic deoxybenzoins. |
Bioorg Med Chem 17: 4360-6 (2009) | National Taiwan University | 2D 3D TSV |
| 19481945 | 55 | Synthesis and biological evaluation of novel carbon-11 labeled pyridyl ethers: candidate ligands for in vivo imaging of alpha4beta2 nicotinic acetylcholine receptors (alpha4beta2-nAChRs) in the brain with positron emission tomography. |
Bioorg Med Chem 17: 4367-77 (2009) | The Johns Hopkins University School of Medicine | 2D 3D TSV |
| 19481943 | 23 | Synthesis of hybrid analogues of caffeine and eudistomin D and its affinity for adenosine receptors. |
Bioorg Med Chem 17: 4280-4 (2009) | Hokkaido University | 2D 3D TSV |
| 19481941 | 80 | Design, synthesis and dopamine D4 receptor binding activities of new N-heteroaromatic 5/6-ring Mannich bases. |
Bioorg Med Chem 17: 4448-58 (2009) | Friedrich-Alexander-Universit£t | 2D 3D TSV |
| 19481932 | 164 | Discovery of spirocyclic secondary amine-derived tertiary ureas as highly potent, selective and bioavailable soluble epoxide hydrolase inhibitors. |
Bioorg Med Chem Lett 19: 3398-404 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19481466 | 35 | Novel and potent small-molecule urotensin II receptor agonists. |
Bioorg Med Chem 17: 4657-65 (2009) | University of Gothenburg | 2D 3D TSV |
| 19481465 | 31 | Design and synthesis of ten biphenyl-neolignan derivatives and their in vitro inhibitory potency against cyclooxygenase-1/2 activity and 5-lipoxygenase-mediated LTB4-formation. |
Bioorg Med Chem 17: 4459-65 (2009) | Karl-Franzens-Universit£t Graz | 2D 3D TSV |
| 19481464 | 41 | Synthesis and biological evaluation of novel 4-azaindolyl-indolyl-maleimides as glycogen synthase kinase-3beta (GSK-3beta) inhibitors. |
Bioorg Med Chem 17: 4302-12 (2009) | Zhejiang University | 2D 3D TSV |
| 19481451 | 20 | Discovery of novel motilin antagonists: Conversion of tetrapeptide leads to orally available peptidomimetics. |
Bioorg Med Chem Lett 19: 3426-9 (2009) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
| 19481450 | 121 | Substituted benzimidazoles: A novel chemotype for small molecule hKSP inhibitors. |
Bioorg Med Chem Lett 19: 3405-9 (2009) | Schering-Plough Research Institute | 2D 3D TSV |
| 19481449 | 51 | Novel sulfone-containing di- and trisubstituted cyclohexanes as potent CC chemokine receptor 2 (CCR2) antagonists. |
Bioorg Med Chem Lett 19: 3418-22 (2009) | Bristol-Myers Squibb Company | 2D 3D TSV |
| 19480458 | 26 | Isoform-specific inhibition of cyclophilins. |
Biochemistry 48: 6268-77 (2009) | Max Planck Research | 2D 3D TSV |
| 19477652 | 18 | Discovery, characterization and comparison of inhibitors of Bacillus anthracis and Staphylococcus aureus replicative DNA helicases. |
Bioorg Med Chem 17: 4466-76 (2009) | Microbiotix, Inc | 2D 3D TSV |
| 19477650 | 42 | Synthesis and biological activities of aminopyrimidyl-indoles structurally related to meridianins. |
Bioorg Med Chem 17: 4420-4 (2009) | Clermont Universit£ | 2D 3D TSV |
| 19477642 | 87 | Second generation of BACE-1 inhibitors part 2: Optimisation of the non-prime side substituent. |
Bioorg Med Chem Lett 19: 3669-73 (2009) | GSK | 2D 3D TSV |
| 19477134 | 1 | QSAR study on maximal inhibition (Imax) of quaternary ammonium antagonists for S-(-)-nicotine-evoked dopamine release from dopaminergic nerve terminals in rat striatum. |
Bioorg Med Chem 17: 4477-85 (2009) | University of Kentucky | 2D 3D TSV |
| 19477133 | 13 | Synthesis of quinolinyl and isoquinolinyl phenyl ketones as novel agonists for the cannabinoid CB2 receptor. |
Bioorg Med Chem 17: 4441-7 (2009) | Helsinki University of Technology | 2D 3D TSV |
| 19476340 | 2 | Hop (Humulus lupulus)-derived bitter acids as multipotent bioactive compounds. |
J Nat Prod 72: 1220-30 (2009) | Ghent University-UGent | 2D 3D TSV |
| 19476336 | 4 | Chemical constituents from the aerial parts of Artemisia minor. |
J Nat Prod 72: 1198-201 (2009) | Chinese Academy of Sciences | 2D 3D TSV |
| 19473849 | 33 | Synthesis and structure-activity relationship of Huprine derivatives as human acetylcholinesterase inhibitors. |
Bioorg Med Chem 17: 4523-36 (2009) | COBRA-CNRS UMR 6014& FR 3038 | 2D 3D TSV |
| 19473848 | 7 | Synthesis and pharmacological evaluation of 1,2,3,4-tetrahydropyrazino[1,2-a]indole and 2-[(phenylmethylamino)methyl]-1H-indole analogues as novel melatoninergic ligands. |
Bioorg Med Chem 17: 4583-94 (2009) | University of W£rzburg | 2D 3D TSV |
| 19473839 | 26 | N-(Pyridin-2-yl) arylsulfonamide inhibitors of 11beta-hydroxysteroid dehydrogenase type 1: Discovery of PF-915275. |
Bioorg Med Chem Lett 19: 3493-7 (2009) | Pfizer | 2D 3D TSV |
| 19473029 | 110 | Substitution of arginine with proline and proline derivatives in melanocyte-stimulating hormones leads to selectivity for human melanocortin 4 receptor. |
J Med Chem 52: 3627-35 (2009) | University of Arizona | 2D 3D TSV |
| 19473027 | 21 | Further studies at neuropeptide s position 5: discovery of novel neuropeptide S receptor antagonists. |
J Med Chem 52: 4068-71 (2009) | National Institute of Neuroscienc | 2D 3D TSV |
| 19473017 | 12 | Design of HIV-1 protease inhibitors with pyrrolidinones and oxazolidinones as novel P1'-ligands to enhance backbone-binding interactions with protease: synthesis, biological evaluation, and protein-ligand X-ray studies. |
J Med Chem 52: 3902-14 (2009) | Purdue University | 2D 3D TSV |
| 19472977 | 3 | Competitive inhibition of human poly(A)-specific ribonuclease (PARN) by synthetic fluoro-pyranosyl nucleosides. |
Biochemistry 48: 6044-51 (2009) | University of Thessaly | 2D 3D TSV |
| 19470507 | 4 | Curcumin modulates efflux mediated by yeast ABC multidrug transporters and is synergistic with antifungals. |
Antimicrob Agents Chemother 53: 3256-65 (2009) | Jawaharlal Nehru University | 2D 3D TSV |
| 19469556 | 47 | Synthesis and evaluation of a series of heterobiarylamides that are centrally penetrant metabotropic glutamate receptor 4 (mGluR4) positive allosteric modulators (PAMs). |
J Med Chem 52: 4115-8 (2009) | Vanderbilt University Medical Center | 2D 3D TSV |
| 19469546 | 208 | Improvement of pharmacological properties of irreversible thyroid receptor coactivator binding inhibitors. |
J Med Chem 52: 3892-901 (2009) | St. Jude Children's Hospital | 2D 3D TSV |
| 19469545 | 140 | 1-amino-4-benzylphthalazines as orally bioavailable smoothened antagonists with antitumor activity. |
J Med Chem 52: 3954-68 (2009) | Novartis Institutes for Biomedical Research | 2D 3D TSV |
| 19469544 | 7 | Synthesis and evaluation of sphingosine analogues as inhibitors of sphingosine kinases. |
J Med Chem 52: 3618-26 (2009) | National University of Singapore | 2D 3D TSV |
| 19469479 | 44 | Identification of anxiolytic/nonsedative agents among indol-3-ylglyoxylamides acting as functionally selective agonists at the gamma-aminobutyric acid-A (GABAA) alpha2 benzodiazepine receptor. |
J Med Chem 52: 3723-34 (2009) | Universita di Pisa | 2D 3D TSV |
| 19467869 | 5 | Discovery of novel lipophilic inhibitors of OXA-10 enzyme (class D beta-lactamase) by screening amino analogs and homologs of citrate and isocitrate. |
Bioorg Med Chem Lett 19: 3593-7 (2009) | Universit£ Catholique de Louvain | 2D 3D TSV |
| 19467868 | 131 | Orally active C-6 heteroaryl- and heterocyclyl-substituted imidazo[1,2-a]pyridine acid pump antagonists (APAs). |
Bioorg Med Chem Lett 19: 3602-6 (2009) | GlaxoSmithKline R&D | 2D 3D TSV |
| 19467742 | 17 | Synthesis and biological evaluation of novel 4,5-bis(dialkylaminoalkyl)-substituted acridines as potent telomeric G-quadruplex ligands. |
Eur J Med Chem 44: 3880-8 (2009) | Universit£ de Reims-Champagne-Ardenne | 2D 3D TSV |
| 19467599 | 16 | Iodophenyl tagged sphingosine derivatives: synthesis and preliminary biological evaluation. |
Bioorg Med Chem Lett 19: 3382-5 (2009) | University of Pennsylvania | 2D 3D TSV |
| 19467597 | 13 | Carbamates as potent calcitonin gene-related peptide antagonists with improved solution stability. |
Bioorg Med Chem Lett 19: 3555-8 (2009) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 19465931 | 12 | Inhibitor hijacking of Akt activation. |
Nat Chem Biol 5: 484-93 (2009) | University of California | 2D 3D TSV |
| 19464902 | 1 | 6-Amino-2-mercapto-3H-pyrimidin-4-one derivatives as new candidates for the antagonism at the P2Y12 receptors. |
Bioorg Med Chem 17: 4612-21 (2009) | Universit£ di Ferrara | 2D 3D TSV |
| 19464901 | 77 | Identification of novel serotonin 2C receptor ligands by sequential virtual screening. |
Bioorg Med Chem 17: 4559-68 (2009) | Institute of Science and Technology | 2D 3D TSV |
| 19464889 | 43 | Aryl urea derivatives of spiropiperidines as NPY Y5 receptor antagonists. |
Bioorg Med Chem Lett 19: 3511-6 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19464886 | 30 | Exploration and optimization of substituted triazolothiadiazines and triazolopyridazines as PDE4 inhibitors. |
Bioorg Med Chem Lett 19: 3686-92 (2009) | National Human Genome Research Institute | 2D 3D TSV |
| 19464885 | 63 | Synthesis and activity of quinolinylmethyl P1' alpha-sulfone piperidine hydroxamate inhibitors of TACE. |
Bioorg Med Chem Lett 19: 3445-8 (2009) | Wyeth Research | 2D 3D TSV |
| 19464884 | 34 | Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. |
Bioorg Med Chem Lett 19: 3485-8 (2009) | Wyeth Research | 2D 3D TSV |
| 19464189 | 23 | Synthesis and structure-activity relationships of N-(4-amino-2,6-diisopropylphenyl)-N'-(1,4-diarylpiperidine-4-yl)methylureas as anti-hyperlipidemic agents. |
Bioorg Med Chem 17: 4636-46 (2009) | Dainippon Sumitomo Pharma Co Ltd | 2D 3D TSV |
| 19464175 | 5 | Structure-activity relationships of heteroaromatic esters as human rhinovirus 3C protease inhibitors. |
Bioorg Med Chem Lett 19: 3632-6 (2009) | Institute of Science and Technology | 2D 3D TSV |
| 19464172 | 74 | Nascent structure-activity relationship study of a diastereomeric series of kappa opioid receptor antagonists derived from CJ-15,208. |
Bioorg Med Chem Lett 19: 3647-50 (2009) | Adolor Corporation | 2D 3D TSV |
| 19464171 | 87 | Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma. |
Bioorg Med Chem Lett 19: 3550-4 (2009) | Amgen | 2D 3D TSV |
| 19463000 | 50 | High-affinity, non-nucleotide-derived competitive antagonists of platelet P2Y12 receptors. |
J Med Chem 52: 3784-93 (2009) | University of Bonn | 2D 3D TSV |
| 19462975 | 18 | Hybrid compound design to overcome the gatekeeper T338M mutation in cSrc. |
J Med Chem 52: 3915-26 (2009) | Chemical Genomics Centre of the Max Planck Society | 2D 3D TSV |
| 19459681 | 5 | Inhibition of dynamin mediated endocytosis by the dynoles--synthesis and functional activity of a family of indoles. |
J Med Chem 52: 3762-73 (2009) | The University of Newcastle | 2D 3D TSV |
| 19459652 | 56 | Discovery of tetrasubstituted imidazolines as potent and selective neuropeptide Y Y5 receptor antagonists: reduced human ether-a-go-go related gene potassium channel binding affinity and potent antiobesity effect. |
J Med Chem 52: 3385-96 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19459643 | 18 | Sesterterpenes as tubulin tyrosine ligase inhibitors. First insight of structure-activity relationships and discovery of new lead. |
J Med Chem 52: 3814-28 (2009) | Universita di Salerno | 2D 3D TSV |
| 19457675 | 8 | The structure-based design, synthesis, and biological evaluation of DNA-binding amide linked bisintercalating bisanthrapyrazole anticancer compounds. |
Bioorg Med Chem 17: 4575-82 (2009) | University of Manitoba | 2D 3D TSV |
| 19457667 | 17 | Hit-to-lead optimization of pyrrolo[1,2-a]quinoxalines as novel cannabinoid type 1 receptor antagonists. |
Bioorg Med Chem Lett 19: 3471-5 (2009) | Gedeon Richter Plc | 2D 3D TSV |
| 19457666 | 34 | Design and optimization of renin inhibitors: Orally bioavailable alkyl amines. |
Bioorg Med Chem Lett 19: 3541-5 (2009) | Vitae Pharmaceuticals | 2D 3D TSV |
| 19457663 | 1 | Identification of a disruptor of the MDM2-p53 protein-protein interaction facilitated by high-throughput in silico docking. |
Bioorg Med Chem Lett 19: 3756-9 (2009) | H. Lee Moffitt Cancer Center | 2D 3D TSV |
| 19457661 | 21 | Identification of 2-aminobenzimidazoles as potent melanin-concentrating hormone 1-receptor (MCH1R) antagonists. |
Bioorg Med Chem Lett 19: 3568-72 (2009) | Banyu Pharmaceutical Co. | 2D 3D TSV |
| 19457660 | 90 | Compelling P1 substituent affect on metalloprotease binding profile enables the design of a novel cyclohexyl core scaffold with excellent MMP selectivity and HER-2 sheddase inhibition. |
Bioorg Med Chem Lett 19: 3525-30 (2009) | Incyte Corporation | 2D 3D TSV |
| 19457659 | 22 | Non-isotopic dual parameter competition assay suitable for high-throughput screening of histone deacetylases. |
Bioorg Med Chem Lett 19: 3651-6 (2009) | University of G£ttingen | 2D 3D TSV |
| 19457595 | 12 | Fenbufen based 3-[5-(substituted aryl)-1,3,4-oxadiazol-2-yl]-1-(biphenyl-4-yl)propan-1-ones as safer antiinflammatory and analgesic agents. |
Eur J Med Chem 44: 3798-804 (2009) | Hamdard University | 2D 3D TSV |
| 19456099 | 37 | Inhibition of staphyloxanthin virulence factor biosynthesis in Staphylococcus aureus: in vitro, in vivo, and crystallographic results. |
J Med Chem 52: 3869-80 (2009) | University of Illinois at Urbana-Champaign | 2D 3D TSV |
| 19456097 | 89 | 5-hydroxyindole-2-carboxylic acid amides: novel histamine-3 receptor inverse agonists for the treatment of obesity. |
J Med Chem 52: 3855-68 (2009) | F. Hoffmann-La Roche Ltd. | 2D 3D TSV |
| 19454370 | 52 | Design, synthesis and primary activity evaluation of L-arginine derivatives as amino-peptidase N/CD13 inhibitors. |
Bioorg Med Chem 17: 4666-73 (2009) | Shandong University | 2D 3D TSV |
| 19454369 | 32 | N-Substituted-2-alkyl- and 2-arylnorapomorphines: novel, highly active D2 agonists. |
Bioorg Med Chem 17: 4756-62 (2009) | University of Tartu | 2D 3D TSV |
| 19451305 | 3 | The novel CXCR4 antagonist KRH-3955 is an orally bioavailable and extremely potent inhibitor of human immunodeficiency virus type 1 infection: comparative studies with AMD3100. |
Antimicrob Agents Chemother 53: 2940-8 (2009) | National Institute of Infectious Diseases | 2D 3D TSV |
| 19450985 | 27 | Synthesis and structure-activity relationships of C-glycosylated oxadiazoles as inhibitors of glycogen phosphorylase. |
Bioorg Med Chem 17: 4773-85 (2009) | University of Debrecen | 2D 3D TSV |
| 19450983 | 74 | Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides. |
Bioorg Med Chem 17: 4503-9 (2009) | Universite degli Studi di Firenze | 2D 3D TSV |
| 19450982 | 9 | Human sialidase inhibitors: design, synthesis, and biological evaluation of 4-acetamido-5-acylamido-2-fluoro benzoic acids. |
Bioorg Med Chem 17: 4595-603 (2009) | Gifu University | 2D 3D TSV |
| 19450980 | 21 | Discovery and structure-guided drug design of inhibitors of 11beta-hydroxysteroid-dehydrogenase type I based on a spiro-carboxamide scaffold. |
Bioorg Med Chem Lett 19: 3682-5 (2009) | Merck-Serono | 2D 3D TSV |
| 19447628 | 7 | A versatile photoactivatable probe designed to label the diphosphate binding site of farnesyl diphosphate utilizing enzymes. |
Bioorg Med Chem 17: 4797-805 (2009) | University of Minnesota | 2D 3D TSV |
| 19447622 | 128 | The discovery of the potent aurora inhibitor MK-0457 (VX-680). |
Bioorg Med Chem Lett 19: 3586-92 (2009) | Vertex Pharmaceuticals (Europe) Ltd | 2D 3D TSV |
| 19447620 | 24 | In vitro inhibition of human erythrocyte glutathione reductase by some new organic nitrates. |
Bioorg Med Chem Lett 19: 3661-3 (2009) | Atat£rk University | 2D 3D TSV |
| 19447619 | 3 | Preparation of L-proline based aeruginosin 298-A analogs: optimization of the P1-moiety. |
Bioorg Med Chem Lett 19: 3798-803 (2009) | University of New Orleans | 2D 3D TSV |
| 19447617 | 1 | Identification of a novel inhibitor of JAK2 tyrosine kinase by structure-based virtual screening. |
Bioorg Med Chem Lett 19: 3598-601 (2009) | Semmelweis University | 2D 3D TSV |
| 19447614 | 1 | Serratezomines D and E, new Lycopodium alkaloids from Lycopodium serratum var. serratum. |
Bioorg Med Chem Lett 19: 3577-80 (2009) | Hokkaido University | 2D 3D TSV |
| 19447613 | 9 | Nocathiacin analogs: Synthesis and antibacterial activity of novel water-soluble amides. |
Bioorg Med Chem Lett 19: 3531-5 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19447612 | 59 | Optimization of 5-phenyl-3-pyridinecarbonitriles as PKCtheta inhibitors. |
Bioorg Med Chem Lett 19: 3623-6 (2009) | Wyeth Research | 2D 3D TSV |
| 19447610 | 39 | Discovery of novel arylpyrazole series as potent and selective opioid receptor-like 1 (ORL1) antagonists. |
Bioorg Med Chem Lett 19: 3627-31 (2009) | Banyu Pharmaceutical Co. | 2D 3D TSV |
| 19447527 | 2 | Design, synthesis and pharmacological evaluation of new 1-[3-(4-arylpiperazin-1-yl)-2-hydroxy-propyl]-3,3-diphenylpyrrolidin-2-one derivatives with antiarrhythmic, antihypertensive, and alpha-adrenolytic activity. |
Eur J Med Chem 44: 3994-4003 (2009) | Jagiellonian University Medical College | 2D 3D TSV |
| 19447040 | 31 | Quinazolindione derivatives as potent 5-HT3A receptor antagonists. |
Bioorg Med Chem 17: 4793-6 (2009) | Konkuk University | 2D 3D TSV |
| 19447036 | 12 | Design and synthesis of 3-alkyl-2-aryl-1,3-thiazinan-4-one derivatives as selective cyclooxygenase (COX-2) inhibitors. |
Bioorg Med Chem Lett 19: 3162-5 (2009) | Shahid Beheshti University (M.C) | 2D 3D TSV |
| 19447035 | 16 | Novel non-peptide beta-secretase inhibitors derived from structure-based virtual screening and bioassay. |
Bioorg Med Chem Lett 19: 3188-92 (2009) | Singapore Polytechnic | 2D 3D TSV |
| 19447034 | 76 | Discovery of selective PDE4B inhibitors. |
Bioorg Med Chem Lett 19: 3174-6 (2009) | Asahi Kasei Pharma Corporation | 2D 3D TSV |
| 19446931 | 3 | New potential AChE inhibitor candidates. |
Eur J Med Chem 44: 3754-9 (2009) | Universidade Bras£lia | 2D 3D TSV |
| 19445513 | 82 | Fluorinated isatin derivatives. Part 2. New N-substituted 5-pyrrolidinylsulfonyl isatins as potential tools for molecular imaging of caspases in apoptosis. |
J Med Chem 52: 3484-95 (2009) | Westfalische Wilhelms-Universitat | 2D 3D TSV |
| 19445453 | 87 | Structure-activity relationships comparing N-(6-methylpyridin-yl)-substituted aryl amides to 2-methyl-6-(substituted-arylethynyl)pyridines or 2-methyl-4-(substituted-arylethynyl)thiazoles as novel metabotropic glutamate receptor subtype 5 antagonists. |
J Med Chem 52: 3563-75 (2009) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
| 19443226 | 10 | Glycogen phosphorylase inhibitory effects of 2-oxo-1,2-dihydropyridin-3-yl amide derivatives. |
Bioorg Med Chem 17: 4724-33 (2009) | Griffith University | 2D 3D TSV |
| 19443219 | 39 | Discovery and SAR of novel mGluR5 non-competitive antagonists not based on an MPEP chemotype. |
Bioorg Med Chem Lett 19: 3209-13 (2009) | Vanderbilt University Medical Center | 2D 3D TSV |
| 19443217 | 60 | Synthesis and biological evaluation of novel gamma-carboline analogues of Dimebon as potent 5-HT6 receptor antagonists. |
Bioorg Med Chem Lett 19: 3183-7 (2009) | Chemical Diversity Research Institute | 2D 3D TSV |
| 19443216 | 17 | Discovery of a potent and brain penetrant mGluR5 positive allosteric modulator. |
Bioorg Med Chem Lett 19: 3275-8 (2009) | H. Lundbeck A/S | 2D 3D TSV |
| 19443215 | 74 | A novel class of H3 antagonists derived from the natural product guided synthesis of unnatural analogs of the marine bromopyrrole alkaloid dispyrin. |
Bioorg Med Chem Lett 19: 3204-8 (2009) | Vanderbilt University | 2D 3D TSV |
| 19442525 | 10 | A novel photoaffinity ligand for the dopamine transporter based on pyrovalerone. |
Bioorg Med Chem 17: 3770-4 (2009) | Duquesne University Mylan School of Pharmacy | 2D 3D TSV |
| 19442519 | 14 | The discovery of novel calcium sensing receptor negative allosteric modulators. |
Bioorg Med Chem Lett 19: 3328-32 (2009) | Pfizer Inc. | 2D 3D TSV |
| 19441846 | 35 | Discovery of a potent class I selective ketone histone deacetylase inhibitor with antitumor activity in vivo and optimized pharmacokinetic properties. |
J Med Chem 52: 3453-6 (2009) | IRBM/Merck Research Laboratories | 2D 3D TSV |
| 19441819 | 17 | Discovery of N-{N-[(3-cyanophenyl)sulfonyl]-4(R)-cyclobutylamino-(L)-prolyl}-4-[(3',5'-dichloroisonicotinoyl) amino]-(L)-phenylalanine (MK-0668), an extremely potent and orally active antagonist of very late antigen-4. |
J Med Chem 52: 3449-52 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19438240 | 8 | Design, synthesis, and biological activity of isophthalic acid derivatives targeted to the C1 domain of protein kinase C. |
J Med Chem 52: 3969-81 (2009) | University of Helsinki | 2D 3D TSV |
| 19438238 | 45 | Discovery of the first highly M5-preferring muscarinic acetylcholine receptor ligand, an M5 positive allosteric modulator derived from a series of 5-trifluoromethoxy N-benzyl isatins. |
J Med Chem 52: 3445-8 (2009) | Vanderbilt University Medical Center | 2D 3D TSV |
| 19438227 | 71 | Discovery, SAR, and pharmacokinetics of a novel 3-hydroxyquinolin-2(1H)-one series of potent D-amino acid oxidase (DAAO) inhibitors. |
J Med Chem 52: 3576-85 (2009) | Pfizer | 2D 3D TSV |
| 19438226 | 80 | Discovery of low nanomolar and subnanomolar inhibitors of the mycobacterial beta-carbonic anhydrases Rv1284 and Rv3273. |
J Med Chem 52: 4063-7 (2009) | Istanbul University | 2D 3D TSV |
| 19435668 | 20 | Biological activity of endomorphin and [Dmt1]endomorphin analogs with six-membered proline surrogates in position 2. |
Bioorg Med Chem 17: 3789-94 (2009) | Medical University of Lodz | 2D 3D TSV |
| 19435665 | 33 | Pyridones as glucokinase activators: identification of a unique metabolic liability of the 4-sulfonyl-2-pyridone heterocycle. |
Bioorg Med Chem Lett 19: 3247-52 (2009) | Pfizer Inc. | 2D 3D TSV |
| 19435663 | 63 | Carbonic anhydrase inhibitors. Phenacetyl-, pyridylacetyl- and thienylacetyl-substituted aromatic sulfonamides act as potent and selective isoform VII inhibitors. |
Bioorg Med Chem Lett 19: 3170-3 (2009) | Istanbul University | 2D 3D TSV |
| 19435661 | 19 | 1-[4-(N-Benzylamino)phenyl]-3-phenylurea derivatives as a new class of hypoxia-inducible factor-1alpha inhibitors. |
Bioorg Med Chem Lett 19: 3166-9 (2009) | Gakushuin University | 2D 3D TSV |
| 19435366 | 34 | Rational design, synthesis, and pharmacological properties of new 1,8-naphthyridin-2(1H)-on-3-carboxamide derivatives as highly selective cannabinoid-2 receptor agonists. |
J Med Chem 52: 3644-51 (2009) | Universita di Pisa | 2D 3D TSV |
| 19434638 | 66 | Synthesis and in vitro activity of heterocyclic inhibitors of CYP2A6 and CYP2A13, two cytochrome P450 enzymes present in the respiratory tract. |
Chembiochem 10: 1562-7 (2009) | University of Basel | 2D 3D TSV |
| 19433358 | 19 | Identification of a novel series of 3-piperidinyl-5-sulfonylindazoles as potent 5-HT6 ligands. |
Bioorg Med Chem Lett 19: 3214-6 (2009) | Wyeth Research | 2D 3D TSV |
| 19433357 | 88 | Synthesis and SAR of piperazine amides as novel c-jun N-terminal kinase (JNK) inhibitors. |
Bioorg Med Chem Lett 19: 3344-7 (2009) | The Scripps Research Institute | 2D 3D TSV |
| 19433355 | 156 | Tricyclic thienopyridine-pyrimidones/thienopyrimidine-pyrimidones as orally efficacious mGluR1 antagonists for neuropathic pain. |
Bioorg Med Chem Lett 19: 3199-203 (2009) | Schering-Plough Research Institute | 2D 3D TSV |
| 19433354 | 13 | Design, synthesis and biological evaluation of novel substituted benzoylguanidine derivatives as potent Na+/H+ exchanger inhibitors. |
Bioorg Med Chem Lett 19: 3283-7 (2009) | China Pharmaceutical University | 2D 3D TSV |
| 19432422 | 16 | Nonsteroidal selective androgen receptor modulators (SARMs): dissociating the anabolic and androgenic activities of the androgen receptor for therapeutic benefit. |
J Med Chem 52: 3597-617 (2009) | GTx, Inc. | 2D 3D TSV |
| 19432421 | 31 | New insight into the binding mode of peptide ligands at Urotensin-II receptor: structure-activity relationships study on P5U and urantide. |
J Med Chem 52: 3927-40 (2009) | University of Naples Federico II | 2D 3D TSV |
| 19430488 | 3 | In vivo effects of a GPR30 antagonist. |
Nat Chem Biol 5: 421-7 (2009) | University of New Mexico Health Sciences Center | 2D 3D TSV |
| 19428251 | 38 | Sulfoximine-substituted trifluoromethylpyrimidine analogs as inhibitors of proline-rich tyrosine kinase 2 (PYK2) show reduced hERG activity. |
Bioorg Med Chem Lett 19: 3253-8 (2009) | Pfizer Inc. | 2D 3D TSV |
| 19428250 | 5 | Selective cytochrome P450 3A4 inhibitory activity of Amaryllidaceae alkaloids. |
Bioorg Med Chem Lett 19: 3233-7 (2009) | McMaster University | 2D 3D TSV |
| 19428244 | 60 | Second generation of BACE-1 inhibitors. Part 1: The need for improved pharmacokinetics. |
Bioorg Med Chem Lett 19: 3664-8 (2009) | GSK | 2D 3D TSV |
| 19428156 | 30 | Discovery of potential new InhA direct inhibitors based on pharmacophore and 3D-QSAR analysis followed by in silico screening. |
Eur J Med Chem 44: 3718-30 (2009) | China Pharmaceutical University | 2D 3D TSV |
| 19427223 | 68 | Structure-activity relationships of 3,5-disubstituted benzamides as glucokinase activators with potent in vivo efficacy. |
Bioorg Med Chem 17: 3800-9 (2009) | Banyu Tsukuba Research Institute | 2D 3D TSV |
| 19427222 | 44 | Investigation of various N-heterocyclic substituted piperazine versions of 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-naphthalen-2-ol: effect on affinity and selectivity for dopamine D3 receptor. |
Bioorg Med Chem 17: 3923-33 (2009) | Wayne State University | 2D 3D TSV |
| 19427206 | 5 | The influence of double bond geometry in the inhibition of cyclooxygenases by sulindac derivatives. |
Bioorg Med Chem Lett 19: 3271-4 (2009) | Vanderbilt University School of Medicine | 2D 3D TSV |
| 19427203 | 28 | Synthetic staurosporines via a ring closing metathesis strategy as potent JAK3 inhibitors and modulators of allergic responses. |
Bioorg Med Chem Lett 19: 3333-8 (2009) | Johnson& Johnson Pharmaceutical Research& Development L.L.C. 920 Route 202 | 2D 3D TSV |
| 19427202 | 8 | Natural product inhibitors of protein-protein interactions mediated by Src-family SH2 domains. |
Bioorg Med Chem Lett 19: 3305-9 (2009) | Max Planck Institute of Biochemistry | 2D 3D TSV |
| 19425598 | 61 | Specific targeting of peripheral serotonin 5-HT(3) receptors. Synthesis, biological investigation, and structure-activity relationships. |
J Med Chem 52: 3548-62 (2009) | European Research Centre for Drug Discovery and Development | 2D 3D TSV |
| 19425594 | 43 | Altered enthalpy-entropy compensation in picomolar transition state analogues of human purine nucleoside phosphorylase. |
Biochemistry 48: 5226-38 (2009) | Albert Einstein College of Medicine | 2D 3D TSV |
| 19423356 | 1 | Synthesis and biological evaluation of 3,4,6-triaryl-2-pyranones as a potential new class of anti-breast cancer agents. |
Bioorg Med Chem 17: 3847-56 (2009) | Central Drug Research Institute | 2D 3D TSV |
| 19423354 | 26 | Design and synthesis of novel chloramphenicol amine derivatives as potent aminopeptidase N (APN/CD13) inhibitors. |
Bioorg Med Chem 17: 3810-7 (2009) | Shandong University | 2D 3D TSV |
| 19423348 | 1 | Analysis of HIF-1 inhibition by manassantin A and analogues with modified tetrahydrofuran configurations. |
Bioorg Med Chem Lett 19: 3783-6 (2009) | Duke University | 2D 3D TSV |
| 19423346 | 8 | A new series of 3-phenylcoumarins as potent and selective MAO-B inhibitors. |
Bioorg Med Chem Lett 19: 3268-70 (2009) | Facultad de Farmacia | 2D 3D TSV |
| 19423344 | 83 | Novel 1-(2-aminopyrazin-3-yl)methyl-2-thioureas as potent inhibitors of mitogen-activated protein kinase-activated protein kinase 2 (MK-2). |
Bioorg Med Chem Lett 19: 3238-42 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19423342 | 10 | Novel carbamate cholinesterase inhibitors that release biologically active amines following enzyme inhibition. |
Bioorg Med Chem Lett 19: 3243-6 (2009) | Sention Inc. | 2D 3D TSV |
| 19423341 | 6 | Design, synthesis and insulin-sensitizing activity of indomethacin and diclofenac derivatives. |
Bioorg Med Chem Lett 19: 3324-7 (2009) | Guiyang Medical College | 2D 3D TSV |
| 19422229 | 125 | Discovery of potent, selective, and orally active carboxylic acid based inhibitors of matrix metalloproteinase-13. |
J Med Chem 52: 3523-38 (2009) | Novartis | 2D 3D TSV |
| 19422203 | 1 | Pyrrolidinoindoline alkaloids from Selaginella moellendorfii. |
J Nat Prod 72: 1151-4 (2009) | Chinese Academy of Sciences | 2D 3D TSV |
| 19419876 | 31 | A library of novel allosteric inhibitors against fructose 1,6-bisphosphatase. |
Bioorg Med Chem 17: 3916-22 (2009) | Boston College | 2D 3D TSV |
| 19419868 | 7 | Synthesis and P2Y receptor activity of nucleoside 5'-phosphonate derivatives. |
Bioorg Med Chem Lett 19: 3002-5 (2009) | Ghent University | 2D 3D TSV |
| 19419866 | 24 | Optimization of pyrazole inhibitors of Coactivator Associated Arginine Methyltransferase 1 (CARM1). |
Bioorg Med Chem Lett 19: 2924-7 (2009) | Bristol-Myers Squibb Pharmaceutical Research and Development | 2D 3D TSV |
| 19419863 | 58 | Isoxazole moiety in the linker region of HDAC inhibitors adjacent to the Zn-chelating group: effects on HDAC biology and antiproliferative activity. |
Bioorg Med Chem Lett 19: 3023-6 (2009) | University of Illinois at Chicago | 2D 3D TSV |
| 19419861 | 18 | Dinitroglyceryl and diazen-1-ium-1,2-diolated nitric oxide donor ester prodrugs of aspirin, indomethacin and ibuprofen: synthesis, biological evaluation and nitric oxide release studies. |
Bioorg Med Chem Lett 19: 3014-8 (2009) | University of Alberta | 2D 3D TSV |
| 19419206 | 77 | Identification of 3-acetyl-2-aminoquinolin-4-one as a novel, nonpeptidic scaffold for specific calpain inhibitory activity. |
J Med Chem 52: 3093-7 (2009) | Ewha Womans University | 2D 3D TSV |
| 19419205 | 28 | Design, synthesis, and biological activity of boronic acid-based histone deacetylase inhibitors. |
J Med Chem 52: 2909-22 (2009) | Nagoya City University | 2D 3D TSV |
| 19419204 | 14 | Key determinants of nucleotide-activated G protein-coupled P2Y(2) receptor function revealed by chemical and pharmacological experiments, mutagenesis and homology modeling. |
J Med Chem 52: 2762-75 (2009) | University of Bonn | 2D 3D TSV |
| 19419203 | 12 | Structure-based discovery of triphenylmethane derivatives as inhibitors of hepatitis C virus helicase. |
J Med Chem 52: 2716-23 (2009) | National Taiwan University | 2D 3D TSV |
| 19419202 | 41 | Novel cambinol analogs as sirtuin inhibitors: synthesis, biological evaluation, and rationalization of activity. |
J Med Chem 52: 2673-82 (2009) | University of St Andrews | 2D 3D TSV |
| 19419141 | 23 | Discovery of 4-(5-(4-chlorophenyl)-2-methyl-3-propionyl-1H-pyrrol-1-yl)benzenesulfonamide (A-867744) as a novel positive allosteric modulator of the alpha7 nicotinic acetylcholine receptor. |
J Med Chem 52: 3377-84 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19418631 | 15 | Arginine vasopressin and its analogues--the influence of position 2 modification with 3,3-diphenylalanine enantiomers. Highly potent V2 agonists. |
Eur J Med Chem 44: 2862-67 (2009) | University of Gdansk | 2D 3D TSV |
| 19414267 | 49 | Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: synthesis, pharmacological evaluation, and cross-target QSAR studies. |
Bioorg Med Chem 17: 3987-94 (2009) | VU University Amsterdam | 2D 3D TSV |
| 19414265 | 12 | Cyclobutane-containing peptides: evaluation as novel metallocarboxypeptidase inhibitors and modelling of their mode of action. |
Bioorg Med Chem 17: 3824-8 (2009) | Universitat Autònoma de Barcelona | 2D 3D TSV |
| 19414260 | 85 | 6,7-Dihydro-5H-pyrrolo[1,2-a] imidazoles as potent and selective alpha1A adrenoceptor partial agonists. |
Bioorg Med Chem Lett 19: 3113-7 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19414258 | 8 | Privileged structure-guided synthesis of quinazoline derivatives as inhibitors of trypanothione reductase. |
Bioorg Med Chem Lett 19: 3031-5 (2009) | Alma Mater Studiorum-Bologna University | 2D 3D TSV |
| 19414255 | 58 | Structure-based design of 3-aryl-6-amino-triazolo[4,3-b]pyridazine inhibitors of Pim-1 kinase. |
Bioorg Med Chem Lett 19: 3019-22 (2009) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 19414254 | 6 | Structural insight into human CK2alpha in complex with the potent inhibitor ellagic acid. |
Bioorg Med Chem Lett 19: 2920-3 (2009) | Osaka Prefecture University | 2D 3D TSV |
| 19413326 | 14 | Discovery of antibacterial biotin carboxylase inhibitors by virtual screening and fragment-based approaches. |
ACS Chem Biol 4: 473-83 (2009) | Pfizer | 2D 3D TSV |
| 19413310 | 152 | Molecular and conformational determinants of pituitary adenylate cyclase-activating polypeptide (PACAP) for activation of the PAC1 receptor. |
J Med Chem 52: 3308-16 (2009) | Institut National de la Recherche Scientifique | 2D 3D TSV |
| 19410464 | 71 | Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors. |
Bioorg Med Chem 17: 3857-65 (2009) | Wyeth Research | 2D 3D TSV |
| 19410460 | 80 | Substituted isoxazole analogs of farnesoid X receptor (FXR) agonist GW4064. |
Bioorg Med Chem Lett 19: 2969-73 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19410459 | 33 | Histone deacetylase inhibitors with a primary amide zinc binding group display antitumor activity in xenograft model. |
Bioorg Med Chem Lett 19: 3081-4 (2009) | IRBM/Merck Research Laboratories | 2D 3D TSV |
| 19410457 | 50 | Structure-activity relationship studies of small-molecule inhibitors of Wnt response. |
Bioorg Med Chem Lett 19: 3825-7 (2009) | The University of Texas Southwestern Medical Center at Dallas | 2D 3D TSV |
| 19410454 | 26 | Spiroimidazolidinone NPC1L1 inhibitors. 1: Discovery by 3D-similarity-based virtual screening. |
Bioorg Med Chem Lett 19: 2965-8 (2009) | Merck & Co | 2D 3D TSV |
| 19410451 | 31 | The discovery of a structurally novel class of inhibitors of the type 1 glycine transporter. |
Bioorg Med Chem Lett 19: 2974-6 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19410338 | 44 | Determination of permeability and lipophilicity of pyrazolo-pyrimidine tyrosine kinase inhibitors and correlation with biological data. |
Eur J Med Chem 44: 3712-7 (2009) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 19409795 | 186 | Design, parallel synthesis, and crystal structures of biphenyl antithrombotics as selective inhibitors of tissue factor FVIIa complex. Part 1: Exploration of S2 pocket pharmacophores. |
Bioorg Med Chem 17: 3934-58 (2009) | BioCryst Pharmaceuticals | 2D 3D TSV |
| 19409780 | 11 | Discovery of aminoheterocycles as a novel beta-secretase inhibitor class: pH dependence on binding activity part 1. |
Bioorg Med Chem Lett 19: 2977-80 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19408950 | 158 | SAR studies for a new class of antibacterial NAD biosynthesis inhibitors. |
J Comb Chem 11: 617-25 (2009) | University of Alabama at Birmingham | 2D 3D TSV |
| 19406641 | 12 | Conformational analysis of N,N-disubstituted-1,4-diazepane orexin receptor antagonists and implications for receptor binding. |
Bioorg Med Chem Lett 19: 2997-3001 (2009) | Merck Research Laboratories | 2D 3D TSV |
| 19406640 | 58 | Second generation of BACE-1 inhibitors part 3: Towards non hydroxyethylamine transition state mimetics. |
Bioorg Med Chem Lett 19: 3674-8 (2009) | GSK | 2D 3D TSV |
| 19406638 | 35 | Predictive models of Cannabinoid-1 receptor antagonists derived from diverse classes. |
Bioorg Med Chem Lett 19: 2990-6 (2009) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 19405528 | 45 | Potent cytotoxic C-11 modified geldanamycin analogues. |
J Med Chem 52: 3265-73 (2009) | Kosan Biosciences, Inc. | 2D 3D TSV |
| 19403308 | 36 | Discovery of novel spiro-piperidine derivatives as highly potent and selective melanin-concentrating hormone 1 receptor antagonists. |
Bioorg Med Chem Lett 19: 3072-7 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19402666 | 2 | Synthesis and biological characterization of B-ring amino analogues of potent benzothiadiazine hepatitis C virus polymerase inhibitors. |
J Med Chem 52: 3174-83 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19402665 | 29 | Rhodamine inhibitors of P-glycoprotein: an amide/thioamide"switch" for ATPase activity. |
J Med Chem 52: 3328-41 (2009) | The State University of New York | 2D 3D TSV |
| 19402664 | 2 | Glucose promoiety enables glucose transporter mediated brain uptake of ketoprofen and indomethacin prodrugs in rats. |
J Med Chem 52: 3348-53 (2009) | University of Kuopio | 2D 3D TSV |
| 19402633 | 53 | A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B. |
J Med Chem 52: 3300-7 (2009) | Genentech | 2D 3D TSV |
| 19402630 | 3 | New 1alpha,25-dihydroxy-19-norvitamin D(3) compounds constrained in a single A-ring conformation: synthesis of the analogues by ring-closing metathesis route and their biological evaluation. |
J Med Chem 52: 3496-504 (2009) | University of Wisconsin-Madison | 2D 3D TSV |
| 19398642 | 10 | GS-9191 is a novel topical prodrug of the nucleotide analog 9-(2-phosphonylmethoxyethyl)guanine with antiproliferative activity and possible utility in the treatment of human papillomavirus lesions. |
Antimicrob Agents Chemother 53: 2777-84 (2009) | USA. | 2D 3D TSV |
| 19398343 | 48 | 1,3-dialkyl-8-N-substituted benzyloxycarbonylamino-9-deazaxanthines as potent adenosine receptor ligands: Design, synthesis, structure-affinity and structure-selectivity relationships. |
Bioorg Med Chem 17: 3618-29 (2009) | Universidade de Santiago de Compostela | 2D 3D TSV |
| 19398333 | 29 | Chloro-oxime derivatives as novel small molecule chaperone amplifiers. |
Bioorg Med Chem Lett 19: 3128-35 (2009) | CytRx Corporation | 2D 3D TSV |
| 19398205 | 29 | Design, synthesis, and biological evaluation of novel diarylalkyl amides as TRPV1 antagonists. |
Bioorg Med Chem 17: 3557-67 (2009) | Seoul National University | 2D 3D TSV |
| 19398204 | 44 | Synthesis and evaluation of pharmacological profile of 1-aryl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamides. |
Bioorg Med Chem 17: 3659-64 (2009) | Universit£ di Messina | 2D 3D TSV |
| 19398200 | 45 | Optimization of benzimidazole series as opioid receptor-like 1 (ORL1) antagonists: SAR study directed toward improvement of selectivity over hERG activity. |
Bioorg Med Chem Lett 19: 3100-3 (2009) | Banyu Pharmaceutical Co. | 2D 3D TSV |
| 19398199 | 24 | Aryl sulfonamido tetralin inhibitors of the Kv1.5 ion channel. |
Bioorg Med Chem Lett 19: 3063-6 (2009) | Icagen Inc | 2D 3D TSV |
| 19397324 | 63 | Synthesis and biological activities of topoisomerase I inhibitors, 6-arylmethylamino analogues of edotecarin. |
J Med Chem 52: 3225-37 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19397322 | 58 | Synthesis, activity, and pharmacophore development for isatin-beta-thiosemicarbazones with selective activity toward multidrug-resistant cells. |
J Med Chem 52: 3191-204 (2009) | National Cancer Institute | 2D 3D TSV |
| 19397270 | 122 | Discovery and biological evaluation of novel cyanoguanidine P2X(7) antagonists with analgesic activity in a rat model of neuropathic pain. |
J Med Chem 52: 3366-76 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19397269 | 16 | Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1). |
J Med Chem 52: 3259-64 (2009) | Monash University (Parkville Campus) | 2D 3D TSV |
| 19397268 | 21 | Rational design and synthesis of highly potent pharmacological chaperones for treatment of N370S mutant Gaucher disease. |
J Med Chem 52: 3146-9 (2009) | Peking University | 2D 3D TSV |
| 19396179 | 11 | A new screening assay for allosteric inhibitors of cSrc. |
Nat Chem Biol 5: 394-6 (2009) | Chemical Genomics Centre of the Max Planck Society | 2D 3D TSV |
| 19396178 | 6 | Impact of linker strain and flexibility in the design of a fragment-based inhibitor. |
Nat Chem Biol 5: 407-13 (2009) | Johns Hopkins University | 2D 3D TSV |
| 19395260 | 29 | Discovery and structure-activity relationships of pentanedioic acid diamides as potent inhibitors of 11beta-hydroxysteroid dehydrogenase type I. |
Bioorg Med Chem Lett 19: 2674-8 (2009) | Merck-Serono | 2D 3D TSV |
| 19395258 | 8 | Computer-aided rational molecular design of argifin-derivatives with increased inhibitory activity against chitinase B from Serratia marcescens. |
Bioorg Med Chem Lett 19: 2630-3 (2009) | Kitasato University | 2D 3D TSV |
| 19394833 | 9 | Synthesis of spirocyclic sigma1 receptor ligands as potential PET radiotracers, structure-affinity relationships and in vitro metabolic stability. |
Bioorg Med Chem 17: 3630-41 (2009) | Institut für Pharmazeutische und Medizinische Chemie der Universität Münster | 2D 3D TSV |
| 19394832 | 74 | Discovery and SAR of cinnolines/quinolines as liver X receptor (LXR) agonists with binding selectivity for LXRbeta. |
Bioorg Med Chem 17: 3519-27 (2009) | Wyeth Research | 2D 3D TSV |
| 19394822 | 7 | Inhibition of Pseudomonas aeruginosa quorum sensing by AI-2 analogs. |
Bioorg Med Chem Lett 19: 3941-4 (2009) | Ben-Gurion University of the Negev | 2D 3D TSV |
| 19394821 | 4 | 3-(aminomethyl)piperazine-2,5-dione as a novel NMDA glycine site inhibitor from the chemical universe database GDB. |
Bioorg Med Chem Lett 19: 3832-5 (2009) | University of Berne | 2D 3D TSV |
| 19394231 | 2 | Steroidal bivalent ligands for the estrogen receptor: design, synthesis, characterization and binding affinities. |
Bioorg Med Chem 17: 3528-35 (2009) | University of Illinois at Urbana-Champaign | 2D 3D TSV |
| 19394229 | 9 | 2,4(5)-diarylimidazoles as inhibitors of hNaV1.2 sodium channels: pharmacological evaluation and structure-property relationships. |
Bioorg Med Chem 17: 3642-8 (2009) | Università degli Studi di Parma | 2D 3D TSV |
| 19394223 | 50 | Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase. |
Bioorg Med Chem Lett 19: 3136-40 (2009) | GlaxoSmithKline | 2D 3D TSV |
| 19394221 | 2 | Application of combinatorial biocatalysis for a unique ring expansion of dihydroxymethylzearalenone. |
Bioorg Med Chem Lett 19: 3059-62 (2009) | AMRI | 2D 3D TSV |
| 19394220 | 71 | Potent and selective alpha1A adrenoceptor partial agonists--novel imidazole frameworks. |
Bioorg Med Chem Lett 19: 3118-21 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19394219 | 40 | Orally bioavailable, liver-selective stearoyl-CoA desaturase (SCD) inhibitors. |
Bioorg Med Chem Lett 19: 3050-3 (2009) | CV Therapeutics, Inc | 2D 3D TSV |
| 19394217 | 14 | 2-Cyclohexylcarbonylbenzimidazoles as potent, orally available and brain-penetrable opioid receptor-like 1 (ORL1) antagonists. |
Bioorg Med Chem Lett 19: 3096-9 (2009) | Banyu Pharmaceutical Co. | 2D 3D TSV |
| 19394116 | 14 | Phenethyl pyridines with non-polar internal substituents as selective ligands for estrogen receptor beta. |
Eur J Med Chem 44: 3560-70 (2009) | University of Illinois | 2D 3D TSV |
| 19389627 | 2 | Discovery and characterization of a highly selective FAAH inhibitor that reduces inflammatory pain. |
Chem Biol 16: 411-20 (2009) | Pfizer | 2D 3D TSV |
| 19388706 | 2 | Inhibition studies of bovine xanthine oxidase by luteolin, silibinin, quercetin, and curcumin. |
J Nat Prod 72: 725-31 (2009) | University of California | 2D 3D TSV |
| 19388677 | 10 | Discovery process and pharmacological characterization of 2-(S)-(4-fluoro-2-methylphenyl)piperazine-1-carboxylic acid [1-(R)-(3,5-bis-trifluoromethylphenyl)ethyl]methylamide (vestipitant) as a potent, selective, and orally active NK1 receptor antagonist. |
J Med Chem 52: 3238-47 (2009) | GlaxoSmithKline Medicines Research Centre | 2D 3D TSV |
| 19388676 | 21 | Novel, broad-spectrum anticonvulsants containing a sulfamide group: advancement of N-((benzo[b]thien-3-yl)methyl)sulfamide (JNJ-26990990) into human clinical studies. |
J Med Chem 52: 7528-36 (2009) | Johnson& Johnson Pharmaceutical Research& Development | 2D 3D TSV |
| 19388647 | 50 | Synthesis and evaluation of a novel indoledione class of long chain fatty acid elongase 6 (ELOVL6) inhibitors. |
J Med Chem 52: 3142-5 (2009) | Tsukuba Research Institute | 2D 3D TSV |
| 19386498 | 3 | Synthesis of analogs of forodesine HCl, a human purine nucleoside phosphorylase inhibitor-Part I. |
Bioorg Med Chem Lett 19: 2624-6 (2009) | BioCryst Pharmaceuticals Inc. | 2D 3D TSV |
| 19386496 | 3 | Synthesis of analogs of forodesine HCl, a human purine nucleoside phosphorylase inhibitor-Part II. |
Bioorg Med Chem Lett 19: 2627-9 (2009) | BioCryst Pharmaceuticals Inc. | 2D 3D TSV |
| 19386397 | 76 | A new type of five-membered heterocyclic inhibitors of basic metallocarboxypeptidases. |
Eur J Med Chem 44: 3266-71 (2009) | Universitat Aut£noma de Barcelona | 2D 3D TSV |
| 19385640 | 1 | 2009 Edward E Smissman Award. Pharmaceutical"gold" from neurostabilizing agents: topiramate and successor molecules. |
J Med Chem 52: 3431-40 (2009) | Johnson & Johnson Pharmaceutical Research & Development | 2D 3D TSV |
| 19385614 | 303 | Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes. |
J Med Chem 52: 3159-65 (2009) | Abbott Laboratories | 2D 3D TSV |
| 19385613 | 60 | Human glucagon receptor antagonists with thiazole cores. A novel series with superior pharmacokinetic properties. |
J Med Chem 52: 2989-3000 (2009) | Novo Nordisk A/S | 2D 3D TSV |
| 19380225 | 5 | Rapid identification of improved protein ligands using peptoid microarrays. |
Bioorg Med Chem Lett 19: 3866-9 (2009) | University of Texas Southwestern Medical Center | 2D 3D TSV |
| 19379015 | 40 | Conformationally constrained analogues of diacylglycerol (DAG). 31. Modulation of the biological properties of diacylgycerol lactones (DAG-lactones) containing rigid-rod acyl groups separated from the core lactone by spacer units of different lengths. |
J Med Chem 52: 3274-83 (2009) | National Cancer Institute-Frederick | 2D 3D TSV |
| 19379014 | 2 | An innovative method to study target protein-drug interactions by mass spectrometry. |
J Med Chem 52: 2875-9 (2009) | Martin-Luther-Universität Halle-Wittenberg | 2D 3D TSV |
| 19378991 | 40 | Chalcones: a valid scaffold for monoamine oxidases inhibitors. |
J Med Chem 52: 2818-24 (2009) | Universita degli Studi di Roma La Sapienza | 2D 3D TSV |
| 19376703 | 71 | Synthesis and SAR of amino acid-derived heterocyclic progesterone receptor full and partial agonists. |
Bioorg Med Chem Lett 19: 2637-41 (2009) | GlaxoSmithKline Pharmaceuticals | 2D 3D TSV |
| 19376700 | 21 | 4,4-Dimethyl-1,2,3,4-tetrahydroquinoline-based PPARalpha/gamma agonists. Part. II: Synthesis and pharmacological evaluation of oxime and acidic head group structural variations. |
Bioorg Med Chem Lett 19: 2683-7 (2009) | UMR GICC | 2D 3D TSV |
| 19376699 | 24 | Synthesis, initial SAR and biological evaluation of 1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-4-amine derived inhibitors of IkappaB kinase. |
Bioorg Med Chem Lett 19: 2646-9 (2009) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 19376698 | 16 | Aryloxypyrazines as highly selective antagonists of Oxytocin. |
Bioorg Med Chem Lett 19: 2634-6 (2009) | Pfizer Global Research and Development | 2D 3D TSV |
| 19375920 | 30 | Structure-activity relationships of truncated adenosine derivatives as highly potent and selective human A3 adenosine receptor antagonists. |
Bioorg Med Chem 17: 3733-8 (2009) | Ewha Womans University | 2D 3D TSV |
| 19375914 | 116 | Synthesis and SAR of hydroxyethylamine based phenylcarboxyamides as inhibitors of BACE. |
Bioorg Med Chem Lett 19: 2654-60 (2009) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 19375913 | 25 | Triazinediones as prokineticin 1 receptor antagonists. Part 1: SAR, synthesis and biological evaluation. |
Bioorg Med Chem Lett 19: 2661-3 (2009) | Johnson& Johnson Pharmaceutical Research and Development | 2D 3D TSV |
| 19375309 | 51 | Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids. |
Bioorg Med Chem Lett 19: 2642-5 (2009) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 19375196 | 22 | Synthesis and evaluation of structurally constrained imidazolidin derivatives as potent dipeptidyl peptidase IV inhibitors. |
Eur J Med Chem 44: 3318-22 (2009) | Sichuan University | 2D 3D TSV |
| 19374444 | 45 | Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. |
J Med Chem 52: 2724-32 (2009) | CSIC | 2D 3D TSV |
| 19374402 | 1 | Sequence-derived three-dimensional pharmacophore models for G-protein-coupled receptors and their application in virtual screening. |
J Med Chem 52: 2923-32 (2009) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
| 19374401 | 103 | Discovery of inducible nitric oxide synthase (iNOS) inhibitor development candidate KD7332, part 1: Identification of a novel, potent, and selective series of quinolinone iNOS dimerization inhibitors that are orally active in rodent pain models. |
J Med Chem 52: 3047-62 (2009) | Kalypsys Inc. | 2D 3D TSV |
| 19371039 | 14 | Synthesis and biological activity of a novel series of 6-substituted thieno[2,3-d]pyrimidine antifolate inhibitors of purine biosynthesis with selectivity for high affinity folate r |