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| PMID | Data | Article Title | Citation | Organization | Data Download |
|---|---|---|---|---|---|
| 22998443 | 69 | Selectivity, cocrystal structures, and neuroprotective properties of leucettines, a family of protein kinase inhibitors derived from the marine sponge alkaloid leucettamine B. |
J Med Chem 55: 9312-30 (2012) | CNRS | 2D 3D TSV |
| 22998419 | 47 | Conformational restriction approach toß-secretase (BACE1) inhibitors: effect of a cyclopropane ring to induce an alternative binding mode. |
J Med Chem 55: 8838-58 (2012) | Shionogi & Co., Ltd | 2D 3D TSV |
| 22996261 | 11 | Evidence for substrate-dependent inhibition profiles for human liver aldehyde oxidase. |
Drug Metab Dispos 41: 24-9 (2012) | Washington State University | 2D 3D TSV |
| 22995819 | 4 | Synthesis and evaluation of novel anti-proliferative pyrroloazepinone and indoloazepinone oximes derived from the marine natural product hymenialdisine. |
Eur J Med Chem 56: 246-253 (2012) | TBA | 2D 3D TSV |
| 22995624 | 20 | Discovery of novel dihydroimidazothiazole derivatives as p53-MDM2 protein-protein interaction inhibitors: synthesis, biological evaluation and structure-activity relationships. |
Bioorg Med Chem Lett 22: 6338-42 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 22995620 | 60 | Identification of a potent and metabolically stable series of fluorinated diphenylpyridylethanamine-based cholesteryl ester transfer protein inhibitors. |
Bioorg Med Chem Lett 22: 6503-8 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22995619 | 22 | Trypsin resistance of a decapeptide KISS1R agonist containing an N¿-methylarginine substitution. |
Bioorg Med Chem Lett 22: 6328-32 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22995617 | 7 | Substrate-like water soluble lipase inhibitors from Filipendula kamtschatica. |
Bioorg Med Chem Lett 22: 6410-2 (2012) | Hokkaido University | 2D 3D TSV |
| 22995061 | 37 | Opioid activity profiles of oversimplified peptides lacking in the protonable N-terminus. |
J Med Chem 55: 10292-6 (2012) | University of Bologna | 2D 3D TSV |
| 22994852 | 3 | Identification and Characterization of Small Molecule Inhibitors of a Plant Homeodomain Finger. |
Biochemistry 51: 8293-306 (2012) | University of Wisconsin | 2D 3D TSV |
| 22994801 | 7 | Synthesis and paroxonase activities of novel bromophenols. |
J Enzyme Inhib Med Chem 28: 1073-9 (2013) | Atatürk University | 2D 3D TSV |
| 22994608 | 12 | Synthesis and characterization of phenolic Mannich bases and effects of these compounds on human carbonic anhydrase isozymes I and II. |
J Enzyme Inhib Med Chem 28: 337-42 (2013) | Dumlupinar University | 2D 3D TSV |
| 22992107 | 34 | Modified acidic nonsteroidal anti-inflammatory drugs as dual inhibitors of mPGES-1 and 5-LOX. |
J Med Chem 55: 8958-62 (2012) | Eberhard-Karls University | 2D 3D TSV |
| 22992024 | 21 | Synthesis, evaluation, and radiolabeling of new potent positive allosteric modulators of the metabotropic glutamate receptor 2 as potential tracers for positron emission tomography imaging. |
J Med Chem 55: 8685-99 (2012) | Janssen-Cilag S.A. | 2D 3D TSV |
| 22991951 | 10 | Novel cytidine-based orotidine-5'-monophosphate decarboxylase inhibitors with an unusual twist. |
J Med Chem 55: 9988-97 (2012) | University Health Network | 2D 3D TSV |
| 22989913 | 18 | Curcumin is an inhibitor of calcium/calmodulin dependent protein kinase II. |
Bioorg Med Chem 20: 6040-7 (2012) | Rajiv Gandhi Centre for Biotechnology | 2D 3D TSV |
| 22989912 | 4 | Novel amide- and sulfonamide-based aromatic ethanolamines: effects of various substituents on the inhibition of acid and neutral ceramidases. |
Bioorg Med Chem 20: 6162-70 (2012) | Humboldt Universit£t zu Berlin | 2D 3D TSV |
| 22989911 | 16 | Synthesis and CYP26A1 inhibitory activity of novel methyl 3-[4-(arylamino)phenyl]-3-(azole)-2,2-dimethylpropanoates. |
Bioorg Med Chem 20: 6080-8 (2012) | Cardiff University | 2D 3D TSV |
| 22989910 | 56 | Characterization, bioinformatic analysis and dithiocarbamate inhibition studies of two newa-carbonic anhydrases, CAH1 and CAH2, from the fruit fly Drosophila melanogaster. |
Bioorg Med Chem 21: 1516-21 (2013) | University of Tampere and Tampere University Hospital | 2D 3D TSV |
| 22989533 | 28 | Discovery of potent inhibitors of receptor protein tyrosine phosphatase sigma through the structure-based virtual screening. |
Bioorg Med Chem Lett 22: 6333-7 (2012) | Sejong University | 2D 3D TSV |
| 22989379 | 8 | Synthesis and biological evaluation of 1a,25-dihydroxyvitamin D3 analogues with a long side chain at C12 and short C17 side chains. |
J Med Chem 55: 8642-56 (2012) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 22989333 | 43 | Design and validation of bicyclic iminopyrimidinones as beta amyloid cleaving enzyme-1 (BACE1) inhibitors: conformational constraint to favor a bioactive conformation. |
J Med Chem 55: 9331-45 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22985961 | 99 | Synthesis and pharmacological investigation of azaphthalazinone human histamine H(1) receptor antagonists. |
Bioorg Med Chem 20: 6097-108 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22985959 | 26 | Selection, synthesis, and anti-inflammatory evaluation of the arylidene malonate derivatives as TLR4 signaling inhibitors. |
Bioorg Med Chem 20: 6073-9 (2012) | University of Colorado at Boulder | 2D 3D TSV |
| 22985958 | 7 | Potent small molecule Hedgehog agonists induce VEGF expression in vitro. |
Bioorg Med Chem 20: 6465-81 (2012) | Universit£t Leipzig | 2D 3D TSV |
| 22985853 | 22 | Multisubstituted quinoxalines and pyrido[2,3-d]pyrimidines: synthesis and SAR study as tyrosine kinase c-Met inhibitors. |
Bioorg Med Chem Lett 22: 6368-72 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 22985112 | 49 | Discovery of highly potent, selective, and brain-penetrable leucine-rich repeat kinase 2 (LRRK2) small molecule inhibitors. |
J Med Chem 55: 9416-33 (2012) | Genentech | 2D 3D TSV |
| 22985069 | 18 | Structure-based discovery of highly selective phosphodiesterase-9A inhibitors and implications for inhibitor design. |
J Med Chem 55: 8549-58 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22984987 | 24 | Discovery of diverse human dihydroorotate dehydrogenase inhibitors as immunosuppressive agents by structure-based virtual screening. |
J Med Chem 55: 8341-9 (2012) | State Key Laboratory of Bioreactor Engineering | 2D 3D TSV |
| 22984902 | 59 | Selective fluorescent nonpeptidic antagonists for vasopressin V2 GPCR: application to ligand screening and oligomerization assays. |
J Med Chem 55: 8588-602 (2012) | University of Strasburg | 2D 3D TSV |
| 22984865 | 43 | Spirocyclic sulfamides asß-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. |
J Med Chem 55: 9224-39 (2012) | Pfizer Inc | 2D 3D TSV |
| 22984835 | 66 | Identification of high-affinity P2Y12 antagonists based on a phenylpyrazole glutamic acid piperazine backbone. |
J Med Chem 55: 8615-29 (2012) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
| 22984809 | 111 | Pharmacokinetic benefits of 3,4-dimethoxy substitution of a phenyl ring and design of isosteres yielding orally available cathepsin K inhibitors. |
J Med Chem 55: 8827-37 (2012) | AstraZeneca | 2D 3D TSV |
| 22984634 | 16 | Substrate-Selective Inhibition of Cyclooxygenase-2: Development and Evaluation of Achiral Profen Probes. |
ACS Med Chem Lett 3: 759-763 (2012) | TBA | 2D 3D TSV |
| 22983304 | 4 | Metabolic chiral inversion of brivanib and its relevance to safety and pharmacology. |
Drug Metab Dispos 40: 2374-80 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22982527 | 6 | Synthesis and biological activities of 4-substituted pyrrolo[2,3-a]carbazole Pim kinase inhibitors. |
Eur J Med Chem 56: 225-236 (2012) | TBA | 2D 3D TSV |
| 22982525 | 32 | Synthesis and biological evaluation of selective and potent cyclin-dependent kinase inhibitors. |
Eur J Med Chem 56: 210-216 (2012) | TBA | 2D 3D TSV |
| 22981333 | 103 | Preparation and optimization of new 4-(morpholin-4-yl)-(6-oxo-1,6-dihydropyrimidin-2-yl)amide derivatives as PI3Kß inhibitors. |
Bioorg Med Chem Lett 22: 6381-4 (2012) | Sanofi | 2D 3D TSV |
| 22981332 | 58 | Optimization of an ether series of mGlu5 positive allosteric modulators: molecular determinants of MPEP-site interaction crossover. |
Bioorg Med Chem Lett 22: 6481-5 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
| 22981331 | 14 | Design, synthesis and pharmacological evaluation of novel tacrine-caffeic acid hybrids as multi-targeted compounds against Alzheimer's disease. |
Bioorg Med Chem Lett 22: 6498-502 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22981330 | 7 | Inhibition of NaV1.6 sodium channel currents by a novel series of 1,4-disubstituted-triazole derivatives obtained via copper-catalyzed click chemistry. |
Bioorg Med Chem Lett 22: 6401-4 (2012) | Universit£ degli Studi di Parma | 2D 3D TSV |
| 22980219 | 55 | Design and synthesis of pyrrolo[3,2-d]pyrimidine HER2/EGFR dual inhibitors: improvement of the physicochemical and pharmacokinetic profiles for potent in vivo anti-tumor efficacy. |
Bioorg Med Chem 20: 6171-80 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22980218 | 2 | Development of erlotinib derivatives as CIP2A-ablating agents independent of EGFR activity. |
Bioorg Med Chem 20: 6144-53 (2012) | National Taiwan University Hospital | 2D 3D TSV |
| 22978849 | 13 | Molecular mechanisms of acquired proteasome inhibitor resistance. |
J Med Chem 55: 10317-27 (2012) | University of California San Diego | 2D 3D TSV |
| 22978824 | 17 | Multitarget-directed benzylideneindanone derivatives: anti-ß-amyloid (Aß) aggregation, antioxidant, metal chelation, and monoamine oxidase B (MAO-B) inhibition properties against Alzheimer's disease. |
J Med Chem 55: 8483-92 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22978415 | 8 | Conformational Adaptation Drives Potent, Selective and Durable Inhibition of the Human Protein Methyltransferase DOT1L. |
Chem Biol Drug Des 80: 971-80 (2012) | Epizyme Inc | 2D 3D TSV |
| 22975593 | 62 | Oncoepigenomics: making histone lysine methylation count. |
Eur J Med Chem 56: 179-194 (2012) | TBA | 2D 3D TSV |
| 22975302 | 45 | Serum stability of selected decapeptide agonists of KISS1R using pseudopeptides. |
Bioorg Med Chem Lett 22: 6391-6 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22975301 | 128 | Azetidinyl oxadiazoles as potent mGluR5 positive allosteric modulators. |
Bioorg Med Chem Lett 22: 6469-74 (2012) | Lundbeck Research USA | 2D 3D TSV |
| 22974493 | 13 | Purification and characterization of carbonic anhydrase from sheep kidney and effects of sulfonamides on enzyme activity. |
Bioorg Med Chem 21: 1522-5 (2013) | Agri Ibrahim Cecen University | 2D 3D TSV |
| 22974355 | 3 | Effect of daurisoline on HERG channel electrophysiological function and protein expression. |
J Nat Prod 75: 1539-45 (2012) | Huazhong University of Science and Technology | 2D 3D TSV |
| 22974325 | 54 | Identification of multiple 5-HT4 partial agonist clinical candidates for the treatment of Alzheimer's disease. |
J Med Chem 55: 9240-54 (2012) | Pfizer Inc | 2D 3D TSV |
| 22971011 | 26 | Design, synthesis, and structure-activity relationships of novel pyrazolo[5,1-b]thiazole derivatives as potent and orally active corticotropin-releasing factor 1 receptor antagonists. |
J Med Chem 55: 8450-63 (2012) | Eisai Co., Ltd | 2D 3D TSV |
| 22967811 | 62 | Design, synthesis and evaluation of novel metalloproteinase inhibitors based on L-tyrosine scaffold. |
Bioorg Med Chem 20: 5738-44 (2012) | Tianjin Medical University | 2D 3D TSV |
| 22967810 | 102 | Synthesis of quinolinomorphinan derivatives as highly selectived opioid receptor ligands. |
Bioorg Med Chem 20: 5810-31 (2012) | Kitasato University | 2D 3D TSV |
| 22967796 | 8 | Enhanced cellular uptake and in vitro antitumor activity of short-chain fatty acid acylated daunorubicin-GnRH-III bioconjugates. |
Eur J Med Chem 56: 155-165 (2012) | TBA | 2D 3D TSV |
| 22967236 | 2 | Borrelidin, a potent antifungal agent: insight into the antifungal mechanism against Phytophthora sojae. |
J Agric Food Chem 60: 9874-81 (2012) | Northeast Agricultural University | 2D 3D TSV |
| 22966938 | 20 | cis-4-amino-L-proline residue as a scaffold for the synthesis of cyclic and linear endomorphin-2 analogues: part 2. |
J Med Chem 55: 8477-82 (2012) | Universit£ di Chieti-Pescara G. d'Annunzio | 2D 3D TSV |
| 22963764 | 17 | Discovery of 1H-pyrrolo[2,3-c]pyridine-7-carboxamides as novel, allosteric mGluR5 antagonists. |
Bioorg Med Chem Lett 22: 6454-9 (2012) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 22963135 | 7 | Carbamoyl pyridone HIV-1 integrase inhibitors. 1. Molecular design and establishment of an advanced two-metal binding pharmacophore. |
J Med Chem 55: 8735-44 (2012) | Shionogi & Co., Ltd. | 2D 3D TSV |
| 22963087 | 17 | Enhanced anti-influenza agents conjugated with anti-inflammatory activity. |
J Med Chem 55: 8493-501 (2012) | National Taiwan University | 2D 3D TSV |
| 22963052 | 38 | Catechol pyrazolinones as trypanocidals: fragment-based design, synthesis, and pharmacological evaluation of nanomolar inhibitors of trypanosomal phosphodiesterase B1. |
J Med Chem 55: 8745-56 (2012) | VU University Amsterdam | 2D 3D TSV |
| 22961681 | 621 | Mitigating the inhibition of human bile salt export pump by drugs: opportunities provided by physicochemical property modulation, in silico modeling, and structural modification. |
Drug Metab Dispos 40: 2332-41 (2012) | AstraZeneca | 2D 3D TSV |
| 22960696 | 5 | D-proline-based peptidomimetic inhibitors of anthrax lethal factor. |
Eur J Med Chem 56: 96-107 (2012) | TBA | 2D 3D TSV |
| 22959556 | 57 | Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine): a highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes. |
Bioorg Med Chem 20: 5705-19 (2012) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 22959526 | 14 | Identification of novel ?7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric ?7 receptor ligand binding domain. |
Bioorg Med Chem 20: 5992-6002 (2012) | Bezmialem Vakif University | 2D 3D TSV |
| 22959249 | 79 | JD-5006 and JD-5037: peripherally restricted (PR) cannabinoid-1 receptor blockers related to SLV-319 (Ibipinabant) as metabolic disorder therapeutics devoid of CNS liabilities. |
Bioorg Med Chem Lett 22: 6173-80 (2012) | Jenrin Discovery | 2D 3D TSV |
| 22959248 | 18 | Synthesis and biological evaluation of crown ether fused quinazoline analogues as potent EGFR inhibitors. |
Bioorg Med Chem Lett 22: 6301-5 (2012) | Zhejiang Betapharma | 2D 3D TSV |
| 22959247 | 20 | Isomannide derivatives as new class of inhibitors for human kallikrein 7. |
Bioorg Med Chem Lett 22: 6072-5 (2012) | Universidade Federal do Tri£ngulo Mineiro | 2D 3D TSV |
| 22959246 | 24 | Camptothecins in tumor homing via an RGD sequence mimetic. |
Bioorg Med Chem Lett 22: 6509-12 (2012) | Sigma-Tau Industrie Farmaceutiche Riunite SpA | 2D 3D TSV |
| 22959245 | 175 | As(1) receptor pharmacophore derived from a series of N-substituted 4-azahexacyclo[5.4.1.0(2,6).0(3,10).0(5,9).0(8,11)]dodecan-3-ols (AHDs). |
Bioorg Med Chem Lett 22: 6053-8 (2012) | The University of Sydney | 2D 3D TSV |
| 22959244 | 20 | Discovery, oral pharmacokinetics and in vivo efficacy of velusetrag, a highly selective 5-HT(4) receptor agonist that has achieved proof-of-concept in patients with chronic idiopathic constipation. |
Bioorg Med Chem Lett 22: 6048-52 (2012) | Theravance, Inc. | 2D 3D TSV |
| 22957923 | 20 | The effect of Pro(2) modifications on the structural and pharmacological properties of endomorphin-2. |
J Med Chem 55: 8418-28 (2012) | Biological Research Center of the Hungarian Academy of Sciences | 2D 3D TSV |
| 22957890 | 174 | Modulation in selectivity and allosteric properties of small-molecule ligands for CC-chemokine receptors. |
J Med Chem 55: 8164-77 (2012) | University of Copenhagen | 2D 3D TSV |
| 22957834 | 8 | Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear receptor. |
J Med Chem 55: 8440-9 (2012) | Institute of Genetics and Molecular and Cellular Biology (IGBMC) | 2D 3D TSV |
| 22957803 | 156 | 2-(3-fluoro-4-methylsulfonylaminophenyl)propanamides as potent transient receptor potential vanilloid 1 (TRPV1) antagonists: structure-activity relationships of 2-amino derivatives in the N-(6-trifluoromethylpyridin-3-ylmethyl) C-region. |
J Med Chem 55: 8392-408 (2012) | Seoul National University | 2D 3D TSV |
| 22957724 | 30 | Synthesis and characterization of metal complexes of heterocyclic sulfonamide as carbonic anhydrase inhibitors. |
J Enzyme Inhib Med Chem 28: 311-5 (2013) | Dumlupinar University | 2D 3D TSV |
| 22957721 | 3 | In vitro effects of cinnamic acid derivatives on protein tyrosine phosphatase 1B. |
J Enzyme Inhib Med Chem 28: 1067-72 (2013) | Chulalongkorn University | 2D 3D TSV |
| 22957720 | 5 | Synthesis, biological evaluation and docking studies of new pyrrolo[2,3-d] pyrimidine derivatives as Src family-selective tyrosine kinase inhibitors. |
J Enzyme Inhib Med Chem 28: 1080-7 (2013) | Ankara University | 2D 3D TSV |
| 22954899 | 16 | Novel interleukin-5 inhibitors based on hydroxyethylaminomethyl-4H-chromen-4-one scaffold. |
Bioorg Med Chem 20: 5757-62 (2012) | Chungnam National University | 2D 3D TSV |
| 22954737 | 28 | Pyrazolopyridine inhibitors of B-Raf(V600E). Part 4: rational design and kinase selectivity profile of cell potent type II inhibitors. |
Bioorg Med Chem Lett 22: 6237-41 (2012) | Array BioPharma | 2D 3D TSV |
| 22954736 | 2 | Melanin concentrating hormone receptor 1 (MCHR1) antagonists-Still a viable approach for obesity treatment? |
Bioorg Med Chem Lett 22: 6039-47 (2012) | Leo Pharma A/S | 2D 3D TSV |
| 22954387 | 8 | Small molecule inhibitors of Bacillus anthracis protective antigen proteolytic activation and oligomerization. |
J Med Chem 55: 7998-8006 (2012) | National Institute of Allergy and Infectious Diseases | 2D 3D TSV |
| 22954357 | 29 | Structure-based design of highly selectiveß-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure. |
J Med Chem 55: 9195-207 (2012) | Purdue University | 2D 3D TSV |
| 22951255 | 12 | A sulfoximine-based inhibitor of human asparagine synthetase kills L-asparaginase-resistant leukemia cells. |
Bioorg Med Chem 20: 5915-27 (2012) | Kyoto University | 2D 3D TSV |
| 22951114 | 16 | A frozen analogue approach to aminopyridinylimidazoles leading to novel and promising p38 MAP kinase inhibitors. |
J Med Chem 55: 8429-39 (2012) | University of Tuebingen | 2D 3D TSV |
| 22951074 | 11 | Novel aromatase inhibitors by structure-guided design. |
J Med Chem 55: 8464-76 (2012) | State University of New York Upstate Medical University | 2D 3D TSV |
| 22950983 | 81 | Selective and potent urea inhibitors of cryptosporidium parvum inosine 5'-monophosphate dehydrogenase. |
J Med Chem 55: 7759-71 (2012) | Brandeis University | 2D 3D TSV |
| 22950366 | 6 | Thrombin inhibitors from the freshwater cyanobacterium Anabaena compacta. |
J Nat Prod 75: 1546-52 (2012) | Hokkaido University | 2D 3D TSV |
| 22949627 | 3 | Reversible disulfide formation of the glutamate carboxypeptidase II inhibitor E2072 results in prolonged systemic exposures in vivo. |
Drug Metab Dispos 40: 2315-23 (2012) | Johns Hopkins School of Medicine | 2D 3D TSV |
| 22946614 | 9 | The design and identification of brain penetrant inhibitors of phosphoinositide 3-kinasea. |
J Med Chem 55: 8007-20 (2012) | Genentech | 2D 3D TSV |
| 22946585 | 19 | Structure-based selectivity optimization of piperidine-pteridine derivatives as potent Leishmania pteridine reductase inhibitors. |
J Med Chem 55: 8318-29 (2012) | Universita` degli Studi di Sassari | 2D 3D TSV |
| 22944772 | 15 | Discovery of N6-phenyl-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine derivatives as novel CK1 inhibitors using common-feature pharmacophore model based virtual screening and hit-to-lead optimization. |
Eur J Med Chem 56: 30-38 (2012) | TBA | 2D 3D TSV |
| 22944335 | 43 | O-Hydroxyl- or o-amino benzylamine-tacrine hybrids: multifunctional biometals chelators, antioxidants, and inhibitors of cholinesterase activity and amyloid-ß aggregation. |
Bioorg Med Chem 20: 5884-92 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22944334 | 9 | Synthesis and evaluation of novel heteroaromatic substrates of GABA aminotransferase. |
Bioorg Med Chem 20: 5763-73 (2012) | Northwestern University | 2D 3D TSV |
| 22944118 | 27 | Imidazopyridazinones as novel PDE7 inhibitors: SAR and in vivo studies in Parkinson's disease model. |
Bioorg Med Chem Lett 22: 6286-91 (2012) | Glenmark Pharmaceuticals Limited | 2D 3D TSV |
| 22944117 | 3 | Ago-allosteric modulators of human glucagon-like peptide 2 receptor. |
Bioorg Med Chem Lett 22: 6126-35 (2012) | Eisai Co., Ltd | 2D 3D TSV |
| 22942319 | 16 | Metabolism and pharmacokinetics of JM6 in mice: JM6 is not a prodrug for Ro-61-8048. |
Drug Metab Dispos 40: 2297-306 (2012) | CHDI Management/CHDI Foundation | 2D 3D TSV |
| 22940704 | 23 | Structure-activity relationship and antitumor activity of thio-benzodiazepines as p53-MDM2 protein-protein interaction inhibitors. |
Eur J Med Chem 56: 10-16 (2012) | TBA | 2D 3D TSV |
| 22940448 | 8 | Rhododendric acid A, a new ursane-type PTP1B inhibitor from the endangered plant Rhododendron brachycarpum G. Don. |
Bioorg Med Chem Lett 22: 6116-9 (2012) | Yeungnam University | 2D 3D TSV |
| 22939697 | 4 | Synthesis, radiolabeling and initial in vivo evaluation of [(11)C]KSM-01 for imaging PPAR-a receptors. |
Bioorg Med Chem Lett 22: 6233-6 (2012) | Washington University | 2D 3D TSV |
| 22939696 | 85 | Phenethyl nicotinamides, a novel class of Na(V)1.7 channel blockers: structure and activity relationship. |
Bioorg Med Chem Lett 22: 6108-15 (2012) | AstraZeneca | 2D 3D TSV |
| 22939234 | 31 | Potent and orally efficacious benzothiazole amides as TRPV1 antagonists. |
Bioorg Med Chem Lett 22: 6205-11 (2012) | AstraZeneca | 2D 3D TSV |
| 22939233 | 23 | Benzimidazoles as benzamide replacements within cyclohexane-based CC chemokine receptor 2 (CCR2) antagonists. |
Bioorg Med Chem Lett 22: 6181-4 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22938786 | 86 | Discovery of 3H-imidazo[4,5-c]quinolin-4(5H)-ones as potent and selective dipeptidyl peptidase IV (DPP-4) inhibitors. |
Bioorg Med Chem 20: 5864-83 (2012) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
| 22938723 | 4 | Oxygenation of monoenoic fatty acids by CYP175A1, an orphan cytochrome P450 from Thermus thermophilus HB27. |
Biochemistry 51: 7880-90 (2012) | Tata Institute of Fundamental Research | 2D 3D TSV |
| 22938093 | 14 | Structures and mechanisms of antitumor agents: xestoquinones uncouple cellular respiration and disrupt HIF signaling in human breast tumor cells. |
J Nat Prod 75: 1553-9 (2012) | University of Mississippi | 2D 3D TSV |
| 22938049 | 29 | Exploration of novel 3-substituted azetidine derivatives as triple reuptake inhibitors. |
J Med Chem 55: 8188-92 (2012) | Korea Institute of Science and Technology | 2D 3D TSV |
| 22938030 | 22 | EC144 is a potent inhibitor of the heat shock protein 90. |
J Med Chem 55: 7786-95 (2012) | Biogen Idec Inc | 2D 3D TSV |
| 22934600 | 1 | Potent HGF/c-Met axis inhibitors from Eucalyptus globulus: the coupling of phloroglucinol and sesquiterpenoid is essential for the activity. |
J Med Chem 55: 8183-7 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22934575 | 124 | Discovery and preclinical pharmacology of a selective ATP-competitive Akt inhibitor (GDC-0068) for the treatment of human tumors. |
J Med Chem 55: 8110-27 (2012) | Array BioPharma Inc | 2D 3D TSV |
| 22934537 | 4 | Plakilactones from the marine sponge Plakinastrella mamillaris. Discovery of a new class of marine ligands of peroxisome proliferator-activated receptor¿. |
J Med Chem 55: 8303-17 (2012) | Universit£ di Napoli Federico II | 2D 3D TSV |
| 22932317 | 4 | Design of a hypoxia-activated prodrug inhibitor of O6-alkylguanine-DNA alkyltransferase. |
Bioorg Med Chem Lett 22: 6242-7 (2012) | Yale University | 2D 3D TSV |
| 22932316 | 8 | Amide-based derivatives ofß-alanine hydroxamic acid as histone deacetylase inhibitors: attenuation of potency through resonance effects. |
Bioorg Med Chem Lett 22: 6200-4 (2012) | University of Sydney | 2D 3D TSV |
| 22932315 | 28 | An investigation into the structure-activity relationships associated with the systematic modification of theß(2)-adrenoceptor agonist indacaterol. |
Bioorg Med Chem Lett 22: 6280-5 (2012) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 22932313 | 9 | Design and synthesis of diarylamines and diarylethers as cytotoxic antitumor agents. |
Bioorg Med Chem Lett 22: 6224-8 (2012) | Beijing Institute of Pharmacology & Toxicology | 2D 3D TSV |
| 22932312 | 4 | 2-Alkynoic fatty acids inhibit topoisomerase IB from Leishmania donovani. |
Bioorg Med Chem Lett 22: 6185-9 (2012) | University of Puerto Rico | 2D 3D TSV |
| 22931526 | 31 | Benzodeazaoxaflavins as sirtuin inhibitors with antiproliferative properties in cancer stem cells. |
J Med Chem 55: 8193-7 (2012) | Sapienza University of Rome | 2D 3D TSV |
| 22931505 | 69 | Chemokine receptor antagonists. |
J Med Chem 55: 9363-92 (2012) | National Heart and Lung Institute | 2D 3D TSV |
| 22930276 | 25 | Predicting the drug interaction potential of AMG 853, a dual antagonist of the D-prostanoid and chemoattractant receptor-homologous molecule expressed on T helper 2 cells receptors. |
Drug Metab Dispos 40: 2239-49 (2012) | Amgen Inc | 2D 3D TSV |
| 22929233 | 72 | A focused sulfated glycoconjugate Ugi library for probing heparan sulfate-binding angiogenic growth factors. |
Bioorg Med Chem Lett 22: 6190-4 (2012) | The University of Queensland | 2D 3D TSV |
| 22929232 | 89 | Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors. |
Bioorg Med Chem Lett 22: 6212-7 (2012) | Amgen Inc | 2D 3D TSV |
| 22929231 | 3 | Ethylenediamine diacetate (EDDA) mediated synthesis of aurones under ultrasound: their evaluation as inhibitors of SIRT1. |
Bioorg Med Chem Lett 22: 6160-5 (2012) | University of Hyderabad Campus | 2D 3D TSV |
| 22928967 | 12 | Inhibition of hypoxia inducible factor-2 transcription: isolation of active modulators from marine sponges. |
J Nat Prod 75: 1632-6 (2012) | National Cancer Institute-Frederick | 2D 3D TSV |
| 22928944 | 12 | Insights into the structural determinants required for high-affinity binding of chiral cyclopropane-containing ligands toa4ß2-nicotinic acetylcholine receptors: an integrated approach to behaviorally active nicotinic ligands. |
J Med Chem 55: 8028-37 (2012) | University of Illinois at Chicago | 2D 3D TSV |
| 22928914 | 104 | Structure- and property-based design of aminooxazoline xanthenes as selective, orally efficacious, and CNS penetrable BACE inhibitors for the treatment of Alzheimer's disease. |
J Med Chem 55: 9156-69 (2012) | Amgen Inc | 2D 3D TSV |
| 22928876 | 10 | Pharmacophore-based virtual screening and biological evaluation of small molecule inhibitors for protein arginine methylation. |
J Med Chem 55: 7978-87 (2012) | Georgia State University | 2D 3D TSV |
| 22926225 | 200 | The multiobjective based design, synthesis and evaluation of the arylsulfonamide/amide derivatives of aryloxyethyl- and arylthioethyl- piperidines and pyrrolidines as a novel class of potent 5-HT7 receptor antagonists. |
Eur J Med Chem 56: 348-360 (2012) | TBA | 2D 3D TSV |
| 22926069 | 28 | Phenylalanine derivatives as GPR142 agonists for the treatment of type II diabetes. |
Bioorg Med Chem Lett 22: 6218-23 (2012) | Amgen Inc | 2D 3D TSV |
| 22926067 | 22 | Antitrypanosomal and cysteine protease inhibitory activities of alkyldiamine cryptolepine derivatives. |
Bioorg Med Chem Lett 22: 6256-60 (2012) | University of Lisbon | 2D 3D TSV |
| 22924815 | 97 | Design and synthesis ofß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction ofß-amyloid peptides. |
J Med Chem 55: 9346-61 (2012) | AstraZeneca | 2D 3D TSV |
| 22924785 | 85 | Synthesis and structure-activity relationship investigation of adenosine-containing inhibitors of histone methyltransferase DOT1L. |
J Med Chem 55: 8066-74 (2012) | Baylor College of Medicine | 2D 3D TSV |
| 22924757 | 16 | Structure-activity relationships in human Toll-like receptor 8-active 2,3-diamino-furo[2,3-c]pyridines. |
J Med Chem 55: 8137-51 (2012) | University of Kansas | 2D 3D TSV |
| 22924734 | 87 | Discovery of a novel class of exquisitely selective mesenchymal-epithelial transition factor (c-MET) protein kinase inhibitors and identification of the clinical candidate 2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol (PF-04217903) for the treatment of |
J Med Chem 55: 8091-109 (2012) | Pfizer Inc | 2D 3D TSV |
| 22924688 | 128 | PI3Kd and PI3K¿ as targets for autoimmune and inflammatory diseases. |
J Med Chem 55: 8559-81 (2012) | Amgen Inc | 2D 3D TSV |
| 22924434 | 4 | Progress in the development and application of small molecule inhibitors of bromodomain-acetyl-lysine interactions. |
J Med Chem 55: 9393-413 (2012) | University of Oxford | 2D 3D TSV |
| 22924342 | 15 | Potential use of selective and nonselective Pim kinase inhibitors for cancer therapy. |
J Med Chem 55: 8199-208 (2012) | Cylene Pharmaceuticals | 2D 3D TSV |
| 22924094 | 41 | Metabotropic glutamate receptor 5 negative allosteric modulators as novel tools for in vivo investigation. |
ACS Med Chem Lett 3: 544-549 (2012) | TBA | 2D 3D TSV |
| 22921745 | 1 | [¹8F]FE@SNAP-A new PET tracer for the melanin concentrating hormone receptor 1 (MCHR1): microfluidic and vessel-based approaches. |
Bioorg Med Chem 20: 5936-40 (2012) | Medical University of Vienna | 2D 3D TSV |
| 22921743 | 4 | Discovery of structurally-diverse inhibitor scaffolds by high-throughput screening of a fragment library with dimethylarginine dimethylaminohydrolase. |
Bioorg Med Chem 20: 5550-8 (2012) | University of Texas | 2D 3D TSV |
| 22921742 | 11 | Protective effects of caffeoylquinic acids on the aggregation and neurotoxicity of the 42-residue amyloid ?-protein. |
Bioorg Med Chem 20: 5844-9 (2012) | University of Tsukuba | 2D 3D TSV |
| 22921279 | 2 | Armeniaspiroles, a new class of antibacterials: Antibacterial activities and total synthesis of 5-chloro-Armeniaspirole A. |
Bioorg Med Chem Lett 22: 6292-6 (2012) | Sanofi Research & Development | 2D 3D TSV |
| 22921089 | 62 | Structural sweet spot for A1 adenosine receptor activation by truncated (N)-methanocarba nucleosides: receptor docking and potent anticonvulsant activity. |
J Med Chem 55: 8075-90 (2012) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 22921080 | 42 | 2-Substituted 4,5-dihydrothiazole-4-carboxylic acids are novel inhibitors of metallo-ß-lactamases. |
Bioorg Med Chem Lett 22: 6229-32 (2012) | Baylor College of Medicine | 2D 3D TSV |
| 22920150 | 35 | An aromatic region to induce a switch between agonism and inverse agonism at the ghrelin receptor. |
J Med Chem 55: 7437-49 (2012) | Universit£t Leipzig | 2D 3D TSV |
| 22920039 | 9 | Crystal structure of human aurora B in complex with INCENP and VX-680. |
J Med Chem 55: 7841-8 (2012) | University of Oxford | 2D 3D TSV |
| 22917520 | 45 | Discovery of liver selective non-steroidal glucocorticoid receptor antagonist as novel antidiabetic agents. |
Bioorg Med Chem Lett 22: 5857-62 (2012) | Zydus Research Centre | 2D 3D TSV |
| 22917519 | 106 | Inhibitor scaffold for the histone lysine demethylase KDM4C (JMJD2C). |
Bioorg Med Chem Lett 22: 5811-3 (2012) | University of Copenhagen | 2D 3D TSV |
| 22916727 | 18 | Design and synthesis of indomethacin analogues that inhibit P-glycoprotein and/or multidrug resistant protein without COX inhibitory activity. |
J Med Chem 55: 8152-63 (2012) | Hokkaido University | 2D 3D TSV |
| 22916707 | 76 | 7-Alkyl-3-benzylcoumarins: a versatile scaffold for the development of potent and selective cannabinoid receptor agonists and antagonists. |
J Med Chem 55: 7967-77 (2012) | University of Bonn | 2D 3D TSV |
| 22913577 | 43 | Pd-catalyzed direct C-H bond functionalization of spirocyclics1 ligands: generation of a pharmacophore model and analysis of the reverse binding mode by docking into a 3D homology model of thes1 receptor. |
J Med Chem 55: 8047-65 (2012) | Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster | 2D 3D TSV |
| 22913544 | 12 | Bis(arylvinyl)pyrazines, -pyrimidines, and -pyridazines as imaging agents for tau fibrils andß-amyloid plaques in Alzheimer's disease models. |
J Med Chem 55: 9170-80 (2012) | Technische Universit£t Darmstadt | 2D 3D TSV |
| 22913511 | 91 | Discovery of (2S)-1-[4-(2-{6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9H-purin-9-yl}ethyl)piperidin-1-yl]-2-hydroxypropan-1-one (MPC-3100), a purine-based Hsp90 inhibitor. |
J Med Chem 55: 7480-501 (2012) | Myrexis Inc. | 2D 3D TSV |
| 22913487 | 4 | Structural analysis of bengamide derivatives as inhibitors of methionine aminopeptidases. |
J Med Chem 55: 8021-7 (2012) | Indiana University School of Medicine | 2D 3D TSV |
| 22910224 | 11 | Discovery of pyrrolo[3,2-c]quinoline-4-one derivatives as novel hedgehog signaling inhibitors. |
Bioorg Med Chem 20: 5496-506 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22910138 | 96 | Carbonic anhydrase inhibitors. Regioselective synthesis of novel series 1-substituted 1,4-dihydro-4-oxo-3-pyridinesulfonamides and their inhibition of the human cytosolic isozymes I and II and transmembrane cancer-associated isozymes IX and XII. |
Eur J Med Chem 56: 282-291 (2012) | TBA | 2D 3D TSV |
| 22910137 | 1 | Synthesis and identification of novel indolo[2,3-a]pyrimido[5,4-c]carbazoles as a new class of anti-cancer agents. |
Eur J Med Chem 56: 292-300 (2012) | TBA | 2D 3D TSV |
| 22910039 | 66 | Identification of (R)-N-(4-(4-methoxyphenyl)thiazol-2-yl)-1-tosylpiperidine-2-carboxamide, ML277, as a novel, potent and selective K(v)7.1 (KCNQ1) potassium channel activator. |
Bioorg Med Chem Lett 22: 5936-41 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
| 22910038 | 2 | Phenolic compounds as antiangiogenic CMG2 inhibitors from Costa Rican endophytic fungi. |
Bioorg Med Chem Lett 22: 5885-8 (2012) | Harvard Medical School | 2D 3D TSV |
| 22909088 | 6 | Noncyclam tetraamines inhibit CXC chemokine receptor type 4 and target glioma-initiating cells. |
J Med Chem 55: 7560-70 (2012) | Universitat Ramon Llull | 2D 3D TSV |
| 22905906 | 10 | Synthesis, crystal structure, in vitro acetohydroxyacid synthase inhibition, in vivo herbicidal activity, and 3D-QSAR of new asymmetric aryl disulfides. |
J Agric Food Chem 60: 8286-93 (2012) | Nankai University | 2D 3D TSV |
| 22905713 | 9 | Identification, synthesis, and biological evaluation of 6-[(6R)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3(2H)-one (AS1940477), a potent p38 MAP kinase inhibitor. |
J Med Chem 55: 7772-85 (2012) | Astellas Pharma Inc | 2D 3D TSV |
| 22904561 | 6 | Cytochrome P450-mediated oxidative metabolism of abused synthetic cannabinoids found in K2/Spice: identification of novel cannabinoid receptor ligands. |
Drug Metab Dispos 40: 2174-84 (2012) | University of Arkansas for Medical Sciences | 2D 3D TSV |
| 22902659 | 4 | Ras inhibition via direct Ras binding--is there a path forward? |
Bioorg Med Chem Lett 22: 5766-76 (2012) | Genentech | 2D 3D TSV |
| 22902658 | 31 | Exploration of the structure-activity relationship of the diaryl anilide class of ligands for translocator protein--potential novel positron emitting tomography imaging agents. |
Bioorg Med Chem Lett 22: 5795-800 (2012) | GE Healthcare | 2D 3D TSV |
| 22902656 | 42 | Novel triazines as potent and selective phosphodiesterase 10A inhibitors. |
Bioorg Med Chem Lett 22: 5876-84 (2012) | Pfizer Inc | 2D 3D TSV |
| 22902653 | 99 | Modulation of cofilin phosphorylation by inhibition of the Lim family kinases. |
Bioorg Med Chem Lett 22: 5995-8 (2012) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 22901900 | 92 | Discovery and optimization of a series of liver X receptor antagonists. |
Bioorg Med Chem Lett 22: 5966-70 (2012) | Amgen Inc | 2D 3D TSV |
| 22901899 | 15 | Novel oxysterols activate the Hedgehog pathway and induce osteogenesis. |
Bioorg Med Chem Lett 22: 5893-7 (2012) | Fate Therapeutics | 2D 3D TSV |
| 22901672 | 15 | UDP made a highly promising stable, potent, and selective P2Y6-receptor agonist upon introduction of a boranophosphate moiety. |
Bioorg Med Chem 20: 5483-95 (2012) | Bar-Ilan University | 2D 3D TSV |
| 22901671 | 43 | Synthesis and pharmacological evaluation of indolinone derivatives as novel ghrelin receptor antagonists. |
Bioorg Med Chem 20: 5623-36 (2012) | Sanofi Research | 2D 3D TSV |
| 22901670 | 61 | Synthesis, biological evaluation, and molecular docking of N-{3-[3-(9-methyl-9H-carbazol-3-yl)-acryloyl]-phenyl}-benzamide/amide derivatives as xanthine oxidase and tyrosinase inhibitors. |
Bioorg Med Chem 20: 5649-57 (2012) | Solapur University | 2D 3D TSV |
| 22901393 | 11 | Biologically active ester derivatives as potent inhibitors of the soluble epoxide hydrolase. |
Bioorg Med Chem Lett 22: 5889-92 (2012) | University of California | 2D 3D TSV |
| 22901392 | 27 | A novel aminopeptidase N inhibitor developed by virtual screening approach. |
Bioorg Med Chem Lett 22: 5863-9 (2012) | Shandong Academy of Sciences | 2D 3D TSV |
| 22901390 | 44 | Synthesis and biological activity of pyridopyridazin-6-one p38a MAP kinase inhibitors. Part 2. |
Bioorg Med Chem Lett 22: 5979-83 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22901389 | 28 | Structure-based design of 7-azaindole-pyrrolidine amides as inhibitors of 11ß-hydroxysteroid dehydrogenase type I. |
Bioorg Med Chem Lett 22: 5909-14 (2012) | Merck Serono | 2D 3D TSV |
| 22901388 | 76 | Inhibition ofa-class cytosolic human carbonic anhydrases I, II, IX and XII, andß-class fungal enzymes by carboxylic acids and their derivatives: new isoform-I selective nanomolar inhibitors. |
Bioorg Med Chem Lett 22: 5801-6 (2012) | Universit£ di Sassari | 2D 3D TSV |
| 22901387 | 18 | Discovery of 6-substituted 4-anilinoquinazolines with dioxygenated rings as novel EGFR tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 22: 5870-5 (2012) | Nanjing University | 2D 3D TSV |
| 22901310 | 18 | Structure activity relationship studies of natural product chemokine receptor CCR5 antagonist anibamine toward the development of novel anti prostate cancer agents. |
Eur J Med Chem 55: 395-408 (2012) | Virginia Commonwealth University | 2D 3D TSV |
| 22901043 | 9 | Probing the peripheral site of human butyrylcholinesterase. |
Biochemistry 51: 7046-53 (2012) | Dalhousie University | 2D 3D TSV |
| 22898529 | 58 | Discovery of 1-(ß-amino substituted-ß-alanyl)-N,N-dimethylindoline-2-carboxamides as novel nonpeptide antagonists of nociceptin/orphanin FQ receptor: efficient design, synthesis, and structure-activity relationship studies. |
Eur J Med Chem 55: 228-42 (2012) | Pfizer Inc | 2D 3D TSV |
| 22898255 | 22 | Identification and synthesis of substituted pyrrolo[2,3-d]pyrimidines as novel firefly luciferase inhibitors. |
Bioorg Med Chem 20: 5473-82 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22898254 | 9 | Discovery of the investigational drug TAK-441, a pyrrolo[3,2-c]pyridine derivative, as a highly potent and orally active hedgehog signaling inhibitor: modification of the core skeleton for improved solubility. |
Bioorg Med Chem 20: 5507-17 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22897946 | 34 | N-Benzoyl anthranilic acid derivatives as selective inhibitors of aldo-keto reductase AKR1C3. |
Bioorg Med Chem Lett 22: 5948-51 (2012) | University of Ljubljana | 2D 3D TSV |
| 22897945 | 15 | Synthesis and evaluation of novel 2-pyridone derivatives as inhibitors of phosphodiesterase3 (PDE3): a target for heart failure and platelet aggregation. |
Bioorg Med Chem Lett 22: 6010-5 (2012) | Indian Institute of Chemical Technology | 2D 3D TSV |
| 22897611 | 2 | Discovery of diarylhydantoins as new selective androgen receptor modulators. |
J Med Chem 55: 8225-35 (2012) | GALAPAGOS, Parc Biocitech | 2D 3D TSV |
| 22897589 | 100 | Selective class I phosphoinositide 3-kinase inhibitors: optimization of a series of pyridyltriazines leading to the identification of a clinical candidate, AMG 511. |
J Med Chem 55: 7796-816 (2012) | Amgen Inc | 2D 3D TSV |
| 22897496 | 69 | Targeting the hinge glycine flip and the activation loop: novel approach to potent p38a inhibitors. |
J Med Chem 55: 7862-74 (2012) | Eberhard Karls University T£bingen | 2D 3D TSV |
| 22894757 | 69 | Discovery of highly selective and orally active lysophosphatidic acid receptor-1 antagonists with potent activity on human lung fibroblasts. |
J Med Chem 55: 7920-39 (2012) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 22894736 | 99 | Carbamoylphosphonates control tumor cell proliferation and dissemination by simultaneously inhibiting carbonic anhydrase IX and matrix metalloproteinase-2. Toward nontoxic chemotherapy targeting tumor microenvironment. |
J Med Chem 55: 7875-82 (2012) | The Hebrew University of Jerusalem | 2D 3D TSV |
| 22894131 | 4 | Water mediated ligand functional group cooperativity: the contribution of a methyl group to binding affinity is enhanced by a COO(-) group through changes in the structure and thermodynamics of the hydration waters of ligand-thermolysin complexes. |
J Med Chem 55: 8283-302 (2012) | The State University of New York | 2D 3D TSV |
| 22893598 | 12 | A Novel Approach to the Discovery of Small-Molecule Ligands of CDK2. |
Chembiochem 13: 2128-36 (2012) | Moffitt Cancer Center | 2D 3D TSV |
| 22892213 | 168 | Natural product coumarins that inhibit human carbonic anhydrases. |
Bioorg Med Chem 21: 1539-43 (2013) | Griffith University | 2D 3D TSV |
| 22892116 | 30 | Discovery of tetrahydropyridopyrimidine phosphodiesterase 10A inhibitors for the treatment of schizophrenia. |
Bioorg Med Chem Lett 22: 5903-8 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22891752 | 18 | Design, synthesis, and pharmacological evaluation of N-acylhydrazones and novel conformationally constrained compounds as selective and potent orally active phosphodiesterase-4 inhibitors. |
J Med Chem 55: 7525-45 (2012) | Universidade Federal do Rio de Janeiro | 2D 3D TSV |
| 22891675 | 46 | Design and characterization of a selenium-containing inhibitor of activated thrombin-activatable fibrinolysis inhibitor (TAFIa), a zinc-containing metalloprotease. |
J Med Chem 55: 7696-705 (2012) | Showa Pharmaceutical University | 2D 3D TSV |
| 22891645 | 83 | Discovery of highly potent and selective small molecule ADAMTS-5 inhibitors that inhibit human cartilage degradation via encoded library technology (ELT). |
J Med Chem 55: 7061-79 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22889803 | 19 | Synthesis and structure-activity relationship of 4-(1,3-benzothiazol-2-yl)-thiophene-2-sulfonamides as cyclin-dependent kinase 5 (cdk5)/p25 inhibitors. |
Bioorg Med Chem Lett 22: 5919-23 (2012) | AstraZeneca | 2D 3D TSV |
| 22889562 | 3 | Synthesis, cytotoxicity of new 4-arylidene curcumin analogues and their multi-functions in inhibition of both NF-¿B and Akt signalling. |
Eur J Med Chem 55: 346-57 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22889560 | 16 | The discovery of new potent non-peptide Angiotensin II AT1 receptor blockers: a concise synthesis, molecular docking studies and biological evaluation of N-substituted 5-butylimidazole derivatives. |
Eur J Med Chem 55: 358-74 (2012) | University of Patras | 2D 3D TSV |
| 22889387 | 2 | Synthesis and biological evaluation of 2-amino-3-(4-chlorobenzoyl)-4-[(4-arylpiperazin-1-yl)methyl]-5-substituted-thiophenes. effect of the 5-modification on allosteric enhancer activity at the A1 adenosine receptor. |
J Med Chem 55: 7719-35 (2012) | Universit£ di Ferrara | 2D 3D TSV |
| 22889351 | 40 | Discovery of tofogliflozin, a novel C-arylglucoside with an O-spiroketal ring system, as a highly selective sodium glucose cotransporter 2 (SGLT2) inhibitor for the treatment of type 2 diabetes. |
J Med Chem 55: 7828-40 (2012) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
| 22889281 | 36 | Solubility-driven optimization of phosphodiesterase-4 inhibitors leading to a clinical candidate. |
J Med Chem 55: 7472-9 (2012) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 22884991 | 9 | Antiplasmodial activities of 4-aminoquinoline-statine compounds. |
Bioorg Med Chem Lett 22: 5915-8 (2012) | Universit£ degli Studi di Milano | 2D 3D TSV |
| 22884989 | 42 | Phosphodiesterase inhibitors. Part 4: design, synthesis and structure-activity relationships of dual PDE3/4-inhibitory fused bicyclic heteroaromatic-4,4-dimethylpyrazolones. |
Bioorg Med Chem Lett 22: 5833-8 (2012) | Kyorin Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22884988 | 49 | Discovery and optimization of a novel series of GPR142 agonists for the treatment of type 2 diabetes mellitus. |
Bioorg Med Chem Lett 22: 5942-7 (2012) | Amgen Inc | 2D 3D TSV |
| 22884355 | 31 | Design, synthesis and structure-activity relationships of novel benzoxazolone derivatives as 18 kDa translocator protein (TSPO) ligands. |
Bioorg Med Chem 20: 5568-82 (2012) | Dainippon Sumitomo Pharma Co., Ltd | 2D 3D TSV |
| 22884354 | 36 | Tanshinones as selective and slow-binding inhibitors for SARS-CoV cysteine proteases. |
Bioorg Med Chem 20: 5928-35 (2012) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
| 22884353 | 15 | Design of potent bisphosphonate inhibitors of the human farnesyl pyrophosphate synthase via targeted interactions with the active site 'capping' phenyls. |
Bioorg Med Chem 20: 5583-91 (2012) | McGill University | 2D 3D TSV |
| 22883029 | 80 | The alpha-carbonic anhydrase from the thermophilic bacterium Sulfurihydrogenibium yellowstonense YO3AOP1 is highly susceptible to inhibition by sulfonamides. |
Bioorg Med Chem 21: 1534-8 (2013) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 22883027 | 1 | Arylazolyl(azinyl)thioacetanilides. Part 10: design, synthesis and biological evaluation of novel substituted imidazopyridinylthioacetanilides as potent HIV-1 inhibitors. |
Bioorg Med Chem 20: 5527-36 (2012) | Shandong University | 2D 3D TSV |
| 22883026 | 34 | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 3. Evaluation of 5-amino-linked thiazolo[5,4-d]pyrimidine and thiazolo[5,4-b]pyridine derivatives. |
Bioorg Med Chem 20: 5600-15 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22882897 | 7 | Synthesis, in vitro Biological Evaluation and Molecular Docking Studies of Benzimidamides as Potential BACE1 Inhibitors. |
Chem Biol Drug Des 80: 775-80 (2012) | Peking University Health Science Center | 2D 3D TSV |
| 22882119 | 4 | A new class of selective and potent 7-dehydrocholesterol reductase inhibitors. |
J Med Chem 55: 7614-22 (2012) | Martin-Luther-Universit£t Halle-Wittenberg | 2D 3D TSV |
| 22882079 | 26 | Synthesis and evaluation of silanediols as highly selective uncompetitive inhibitors of human neutrophil elastase. |
J Med Chem 55: 7900-8 (2012) | Aarhus University | 2D 3D TSV |
| 22881866 | 57 | Selective inhibitors of aldo-keto reductases AKR1C1 and AKR1C3 discovered by virtual screening of a fragment library. |
J Med Chem 55: 7417-24 (2012) | University of Ljubljana | 2D 3D TSV |
| 22877871 | 3 | Synthesis and biological evaluation of tyrosine modified analogues of thea4ß7 integrin inhibitor biotin-R8ERY. |
Bioorg Med Chem 20: 5139-49 (2012) | University of Auckland | 2D 3D TSV |
| 22877636 | 60 | Discovery of XL888: a novel tropane-derived small molecule inhibitor of HSP90. |
Bioorg Med Chem Lett 22: 5396-404 (2012) | Exelixis Inc | 2D 3D TSV |
| 22877635 | 6 | Set-up of a new series of HDAC inhibitors: the 5,11-dihydrodibenzo[b,e]azepin-6-ones as privileged structures. |
Bioorg Med Chem Lett 22: 5360-2 (2012) | Menarini Ricerche Pomezia | 2D 3D TSV |
| 22877633 | 28 | Highly potent aminopyridines as Syk kinase inhibitors. |
Bioorg Med Chem Lett 22: 5419-23 (2012) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 22877632 | 49 | Design of inhibitors of Helicobacter pylori glutamate racemase as selective antibacterial agents: incorporation of imidazoles onto a core pyrazolopyrimidinedione scaffold to improve bioavailabilty. |
Bioorg Med Chem Lett 22: 5600-7 (2012) | AstraZeneca | 2D 3D TSV |
| 22877630 | 46 | Synthesis and structure-activity relationship of (1-halo-2-naphthyl) carbamate-based inhibitors of KIAA1363 (NCEH1/AADACL1). |
Bioorg Med Chem Lett 22: 5748-51 (2012) | ActivX Biosciences Inc | 2D 3D TSV |
| 22877629 | 42 | 2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1¿) inhibitors. |
Bioorg Med Chem Lett 22: 5392-5 (2012) | Amgen Inc | 2D 3D TSV |
| 22877245 | 6 | Bioisosteric transformations and permutations in the triazolopyrimidine scaffold to identify the minimum pharmacophore required for inhibitory activity against Plasmodium falciparum dihydroorotate dehydrogenase. |
J Med Chem 55: 7425-36 (2012) | University of Washington | 2D 3D TSV |
| 22877157 | 356 | 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-ß-hydroxysteroid dehydrogenase AKR1C3. |
J Med Chem 55: 7746-58 (2012) | University of Auckland | 2D 3D TSV |
| 22877085 | 33 | Potent and highly selective benzimidazole inhibitors of PI3-kinase delta. |
J Med Chem 55: 7686-95 (2012) | Genentech | 2D 3D TSV |
| 22876979 | 2 | Low molecular weight amidoximes that act as potent inhibitors of lysine-specific demethylase 1. |
J Med Chem 55: 7378-91 (2012) | Wayne State University | 2D 3D TSV |
| 22876881 | 72 | Discovery and in vivo evaluation of dual PI3Kß/d inhibitors. |
J Med Chem 55: 7667-85 (2012) | Amgen Inc | 2D 3D TSV |
| 22873824 | 4 | Halicloic acids A and B isolated from the marine sponge Haliclona sp. collected in the Philippines inhibit indoleamine 2,3-dioxygenase. |
J Nat Prod 75: 1451-8 (2012) | University of British Columbia | 2D 3D TSV |
| 22873709 | 45 | Design, synthesis, and biological evaluation of novel transrepression-selective liver X receptor (LXR) ligands with 5,11-dihydro-5-methyl-11-methylene-6H-dibenz[b,e]azepin-6-one skeleton. |
J Med Chem 55: 7360-77 (2012) | The University of Tokyo | 2D 3D TSV |
| 22873688 | 10 | Identification of a promising drug candidate for the treatment of type 2 diabetes based on a P2Y(1) receptor agonist. |
J Med Chem 55: 7623-35 (2012) | Bar-Ilan University | 2D 3D TSV |
| 22871582 | 29 | Design, synthesis, and structure-activity relationships of a series of 2-Ar-8-methyl-5-alkylaminoquinolines as novel CRF1 receptor antagonists. |
Bioorg Med Chem Lett 22: 5372-8 (2012) | Eisai Co., Ltd | 2D 3D TSV |
| 22871580 | 6 | Near-infrared fluorescent divalent RGD ligand for integrinavß3-targeted optical imaging. |
Bioorg Med Chem Lett 22: 5405-9 (2012) | Washington University | 2D 3D TSV |
| 22871578 | 44 | High-affinity and selective dopamine D3 receptor full agonists. |
Bioorg Med Chem Lett 22: 5612-7 (2012) | University of Michigan | 2D 3D TSV |
| 22871134 | 34 | Design, synthesis and evaluation of new thiazole-piperazines as acetylcholinesterase inhibitors. |
J Enzyme Inhib Med Chem 28: 1040-7 (2013) | Anadolu University | 2D 3D TSV |
| 22868229 | 2 | A fluorescent reporter of ATP binding-competent receptor kinases. |
Bioorg Med Chem Lett 22: 5532-5 (2012) | University of Miami | 2D 3D TSV |
| 22868228 | 57 | N-1-Alkyl-2-oxo-2-aryl amides as novel antagonists of the TRPA1 receptor. |
Bioorg Med Chem Lett 22: 5485-92 (2012) | AstraZeneca | 2D 3D TSV |
| 22867529 | 14 | Synthesis, characterization, screening and docking analysis of 4-anilinoquinazoline derivatives as tyrosine kinase inhibitors. |
Eur J Med Chem 61: 84-94 (2013) | Chinese Academy of Sciences | 2D 3D TSV |
| 22867097 | 1 | Inhibition of human topoisomerases I and II by simocyclinone D8. |
J Nat Prod 75: 1485-9 (2012) | University of Minnesota Medical School | 2D 3D TSV |
| 22866979 | 19 | Mineralocorticoid receptor antagonists for the treatment of hypertension and diabetic nephropathy. |
J Med Chem 55: 7957-66 (2012) | Pfizer Inc | 2D 3D TSV |
| 22864521 | 25 | Synthesis and evaluation of oxovanadium(IV) complexes of Schiff-base condensates from 5-substituted-2-hydroxybenzaldehyde and 2-substituted-benzenamine as selective inhibitors of protein tyrosine phosphatase 1B. |
Dalton Trans 41: 11116-24 (2012) | Shanxi University | 2D 3D TSV |
| 22863529 | 31 | Discovery of novel 2-aminopyridine-3-carboxamides as c-Met kinase inhibitors. |
Bioorg Med Chem 20: 5169-80 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22863527 | 2 | C-N bond formation under Cu-catalysis: synthesis and in vitro evaluation of N-aryl substituted thieno[2,3-d]pyrimidin-4(3H)-ones against chorismate mutase. |
Bioorg Med Chem 20: 5127-38 (2012) | University of Hyderabad Campus | 2D 3D TSV |
| 22863525 | 36 | Design, synthesis and evaluation of the inhibitory selectivity of novel trans-resveratrol analogues on human recombinant CYP1A1, CYP1A2 and CYP1B1. |
Bioorg Med Chem 20: 5117-26 (2012) | Poznan University of Medical Sciences | 2D 3D TSV |
| 22863204 | 17 | Structure-based design, synthesis, and biological evaluation of dihydroquinazoline-derived potentß-secretase inhibitors. |
Bioorg Med Chem Lett 22: 5460-5 (2012) | Purdue University | 2D 3D TSV |
| 22863203 | 1 | GSK2578215A; a potent and highly selective 2-arylmethyloxy-5-substitutent-N-arylbenzamide LRRK2 kinase inhibitor. |
Bioorg Med Chem Lett 22: 5625-9 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22863202 | 94 | Development of isoform selective PI3-kinase inhibitors as pharmacological tools for elucidating the PI3K pathway. |
Bioorg Med Chem Lett 22: 5445-50 (2012) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 22862294 | 118 | The discovery of N-[5-(4-bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide (Macitentan), an orally active, potent dual endothelin receptor antagonist. |
J Med Chem 55: 7849-61 (2012) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
| 22861813 | 42 | Novelß-amino acid derivatives as inhibitors of cathepsin A. |
J Med Chem 55: 7636-49 (2012) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
| 22861193 | 60 | Selective dual inhibitors of CYP19 and CYP11B2: targeting cardiovascular diseases hiding in the shadow of breast cancer. |
J Med Chem 55: 7080-9 (2012) | Saarland University & Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
| 22858142 | 121 | Isosteric replacements for benzothiazoles and optimisation to potent Cathepsin K inhibitors free from hERG channel inhibition. |
Bioorg Med Chem Lett 22: 5563-8 (2012) | AstraZeneca | 2D 3D TSV |
| 22858141 | 113 | Discovery of triazolopyrimidine-based PDE8B inhibitors: exceptionally ligand-efficient and lipophilic ligand-efficient compounds for the treatment of diabetes. |
Bioorg Med Chem Lett 22: 5721-6 (2012) | Pfizer Inc | 2D 3D TSV |
| 22858139 | 25 | Combining pharmacophore, docking and substructure search approaches to identify and optimize novel B-RafV600E inhibitors. |
Bioorg Med Chem Lett 22: 5428-37 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22858099 | 52 | Discovery of potent and selective rhodanine type IKKß inhibitors by hit-to-lead strategy. |
Bioorg Med Chem Lett 22: 5668-74 (2012) | Korea University | 2D 3D TSV |
| 22858098 | 1 | Identification of a novel serum and glucocorticoid regulated kinase-1 (SGK1) ligand from virtual screening. |
Bioorg Med Chem Lett 22: 5675-8 (2012) | Northeast Ohio Medical University | 2D 3D TSV |
| 22858096 | 12 | The development of first Staphylococcus aureus SplB protease inhibitors: phosphonic analogues of glutamine. |
Bioorg Med Chem Lett 22: 5574-8 (2012) | Wroclaw University of Technology | 2D 3D TSV |
| 22854677 | 32 | New cytosine derivatives as inhibitors of DNA methylation. |
Eur J Med Chem 55: 243-54 (2012) | Polish Academy of Sciences | 2D 3D TSV |
| 22854195 | 17 | Transition state analogue inhibitors of human methylthioadenosine phosphorylase and bacterial methylthioadenosine/S-adenosylhomocysteine nucleosidase incorporating acyclic ribooxacarbenium ion mimics. |
Bioorg Med Chem 20: 5181-7 (2012) | Industrial Research Limited | 2D 3D TSV |
| 22853998 | 164 | Design, synthesis and identification of novel benzimidazole derivatives as highly potent NPY Y5 receptor antagonists with attractive in vitro ADME profiles. |
Bioorg Med Chem Lett 22: 5498-502 (2012) | Shionogi & Co., Ltd | 2D 3D TSV |
| 22853997 | 3 | Orally available pyridinylpyrimidine derivatives as novel RANKL-induced osteoclastogenesis inhibitors. |
Bioorg Med Chem Lett 22: 5681-4 (2012) | Astellas Pharma Inc | 2D 3D TSV |
| 22853995 | 57 | 4-Substituted boro-proline dipeptides: synthesis, characterization, and dipeptidyl peptidase IV, 8, and 9 activities. |
Bioorg Med Chem Lett 22: 5536-40 (2012) | Tufts University School of Medicine | 2D 3D TSV |
| 22853993 | 18 | A combined targeted/phenotypic approach for the identification of new antiangiogenics agents active on a zebrafish model: from in silico screening to cyclodextrin formulation. |
Bioorg Med Chem Lett 22: 5579-83 (2012) | University of Siena | 2D 3D TSV |
| 22853801 | 7 | New positron emission tomography (PET) radioligand for imagings-1 receptors in living subjects. |
J Med Chem 55: 8272-82 (2012) | Stanford University | 2D 3D TSV |
| 22850212 | 30 | Selected chromone derivatives as inhibitors of monoamine oxidase. |
Bioorg Med Chem Lett 22: 5480-4 (2012) | North-West University | 2D 3D TSV |
| 22850210 | 20 | Exploration of ring size in a series of cyclic vicinal diamines withs1 receptor affinity. |
Bioorg Med Chem Lett 22: 5493-7 (2012) | The University of Sydney | 2D 3D TSV |
| 22850208 | 60 | Dipeptidyl peptidase-4 inhibitor withß-amino amide scaffold: synthesis, SAR and biological evaluation. |
Bioorg Med Chem Lett 22: 5545-9 (2012) | Dong-A Pharm. Co., Ltd | 2D 3D TSV |
| 22849725 | 28 | Discovery of the first thumb pocket 1 NS5B polymerase inhibitor (BILB 1941) with demonstrated antiviral activity in patients chronically infected with genotype 1 hepatitis C virus (HCV). |
J Med Chem 55: 7650-66 (2012) | Boehringer Ingelheim (Canada) Ltd | 2D 3D TSV |
| 22849615 | 2 | Synthesis and study of 2-(pyrrolesulfonylmethyl)-N-arylimines: a new class of inhibitors for human glutathione transferase A1-1. |
J Med Chem 55: 6802-13 (2012) | Agricultural University of Athens | 2D 3D TSV |
| 22846798 | 48 | Chemoenzymatic synthesis and evaluation of 3-azabicyclo[3.2.0]heptane derivatives as dopaminergic ligands. |
Eur J Med Chem 55: 255-61 (2012) | University of Tartu | 2D 3D TSV |
| 22845329 | 2 | Thiazoline peptides and a tris-phenethyl urea from Didemnum molle with anti-HIV activity. |
J Nat Prod 75: 1436-40 (2012) | University of Utah | 2D 3D TSV |
| 22845053 | 100 | Structure-functional selectivity relationship studies ofß-arrestin-biased dopamine D2 receptor agonists. |
J Med Chem 55: 7141-53 (2012) | University of North Carolina at Chapel Hill | 2D 3D TSV |
| 22844551 | 8 | Inhibitors for Bacterial Cell-Wall Recycling. |
ACS Med Chem Lett 3: 238-242 (2012) | TBA | 2D 3D TSV |
| 22841436 | 51 | Novel 2-methoxyacylhydrazones as potent, selective PDE10A inhibitors with activity in animal models of schizophrenia. |
Bioorg Med Chem Lett 22: 5595-9 (2012) | Omeros Corp. | 2D 3D TSV |
| 22841006 | 5 | Click-based synthesis of triazolobithiazole ?F508-CFTR correctors for cystic fibrosis. |
Bioorg Med Chem 20: 5247-53 (2012) | University of California Davis | 2D 3D TSV |
| 22840775 | 7 | Identification of exosite-targeting inhibitors of anthrax lethal factor by high-throughput screening. |
Chem Biol 19: 875-82 (2012) | Yale University School of Medicine | 2D 3D TSV |
| 22840695 | 52 | Discovery of a potent, orally bioavailable and highly selective human neuronal nitric oxide synthase (nNOS) inhibitor, N-(1-(piperidin-4-yl)indolin-5-yl)thiophene-2-carboximidamide as a pre-clinical development candidate for the treatment of migraine. |
Eur J Med Chem 55: 94-107 (2012) | NeurAxon Inc | 2D 3D TSV |
| 22837811 | 12 | Discovery of Imidazoquinolines with Toll-Like Receptor 7/8 Independent Cytokine Induction. |
ACS Med Chem Lett 3: 501-504 (2012) | TBA | 2D 3D TSV |
| 22836190 | 8 | Discovery and biological evaluation of novel 4-amino-2-phenylpyrimidine derivatives as potent and orally active GPR119 agonists. |
Bioorg Med Chem 20: 5235-46 (2012) | Astellas Pharma Inc | 2D 3D TSV |
| 22835872 | 6 | Design, synthesis and molecular simulation studies of dihydrostilbene derivatives as potent tyrosinase inhibitors. |
Bioorg Med Chem Lett 22: 5523-6 (2012) | University of Athens | 2D 3D TSV |
| 22835870 | 29 | Modulation of DNA repair by pharmacological inhibitors of the PIKK protein kinase family. |
Bioorg Med Chem Lett 22: 5352-9 (2012) | AstraZeneca | 2D 3D TSV |
| 22835719 | 3 | Identification of a sirtuin 3 inhibitor that displays selectivity over sirtuin 1 and 2. |
Eur J Med Chem 55: 58-66 (2012) | Universit£ degli Studi del Piemonte Orientale A. Avogadro | 2D 3D TSV |
| 22834902 | 30 | Discovery of a novel noniminosugar acida glucosidase chaperone series. |
J Med Chem 55: 7546-59 (2012) | National Center for Advancing Translational Sciences | 2D 3D TSV |
| 22834877 | 119 | Current landscape of phosphodiesterase 10A (PDE10A) inhibition. |
J Med Chem 55: 7299-331 (2012) | Pfizer Inc | 2D 3D TSV |
| 22832322 | 40 | Synthesis and structure-activity relationships of dual PI3K/mTOR inhibitors based on a 4-amino-6-methyl-1,3,5-triazine sulfonamide scaffold. |
Bioorg Med Chem Lett 22: 5714-20 (2012) | Amgen Inc | 2D 3D TSV |
| 22832319 | 4 | Synthesis and biological evaluation of novel oxindole derivatives for imaging neurofibrillary tangles in Alzheimer's disease. |
Bioorg Med Chem Lett 22: 5700-3 (2012) | Kyoto University | 2D 3D TSV |
| 22832315 | 85 | Structure and activity relationship in the (S)-N-chroman-3-ylcarboxamide series of voltage-gated sodium channel blockers. |
Bioorg Med Chem Lett 22: 5618-24 (2012) | AstraZeneca | 2D 3D TSV |
| 22832311 | 75 | N-Aryl pyrrolidinonyl oxadiazoles as potent mGluR5 positive allosteric modulators. |
Bioorg Med Chem Lett 22: 5658-62 (2012) | Lundbeck Research USA, Inc. | 2D 3D TSV |
| 22831803 | 9 | New hypotheses for the binding mode of 4- and 7-substituted indazoles in the active site of neuronal nitric oxide synthase. |
Bioorg Med Chem 20: 5296-304 (2012) | Universit£ de Caen Basse-Normandie | 2D 3D TSV |
| 22831802 | 9 | Small molecules that protect against ?-amyloid-induced cytotoxicity by inhibiting aggregation of ?-amyloid. |
Bioorg Med Chem 20: 4921-35 (2012) | Korea Institute of Science and Technology | 2D 3D TSV |
| 22831801 | 8 | Virtual screening leads to the discovery of novel non-nucleotide P2Y1 receptor antagonists. |
Bioorg Med Chem 20: 5254-61 (2012) | National Institutes of Health | 2D 3D TSV |
| 22831800 | 32 | Synthesis of phenserine analogues and evaluation of their cholinesterase inhibitory activities. |
Bioorg Med Chem 20: 4901-14 (2012) | Meiji Pharmaceutical University | 2D 3D TSV |
| 22831799 | 22 | Syntheses and in vitro evaluation of decalinvesamicol analogues as potential imaging probes for vesicular acetylcholine transporter (VAChT). |
Bioorg Med Chem 20: 4936-41 (2012) | Kanazawa University | 2D 3D TSV |
| 22827615 | 2 | Stabilization and structural alteration of the G-quadruplex DNA made from the human telomeric repeat mediated by Tröger's base based novel benzimidazole derivatives. |
J Med Chem 55: 7460-71 (2012) | India Institute of Science | 2D 3D TSV |
| 22827572 | 67 | Discovery of 7-methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a potent and selective first-in-class inhibitor of protein kinase R (PKR)-like endoplasmic reticulum kinase (PERK). |
J Med Chem 55: 7193-207 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22827545 | 11 | Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data. |
J Med Chem 55: 7010-20 (2012) | Leiden/Amsterdam Center for Drug Research | 2D 3D TSV |
| 22824762 | 39 | Fused bicyclic heteroarylpiperazine-substituted L-prolylthiazolidines as highly potent DPP-4 inhibitors lacking the electrophilic nitrile group. |
Bioorg Med Chem 20: 5033-41 (2012) | Mitsubishi Tanabe Pharma Corporation | 2D 3D TSV |
| 22824761 | 4 | Synthesis, biological evaluation, and molecular docking studies of 2,5-substituted-1,4-benzoquinone as novel urease inhibitors. |
Bioorg Med Chem 20: 4889-94 (2012) | Liaoning Normal University | 2D 3D TSV |
| 22823910 | 2 | Discovery of ligands for ADP-ribosyltransferases via docking-based virtual screening. |
J Med Chem 55: 7706-18 (2012) | Ume£ University | 2D 3D TSV |
| 22822714 | 6 | Synthesis and evaluation of novela-fluorinated (E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-enone-O-methyl oxime (ABP688) derivatives as metabotropic glutamate receptor subtype 5 PET radiotracers. |
J Med Chem 55: 7154-62 (2012) | Institute of Technology (ETH) Zurich | 2D 3D TSV |
| 22822035 | 10 | Mechanistic studies on the absorption and disposition of scutellarin in humans: selective OATP2B1-mediated hepatic uptake is a likely key determinant for its unique pharmacokinetic characteristics. |
Drug Metab Dispos 40: 2009-20 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22819942 | 2 | Synthesis of benzo-annulated tryptanthrins and their biological properties. |
Bioorg Med Chem 20: 4962-7 (2012) | Yeungnam University | 2D 3D TSV |
| 22819766 | 173 | SAR studies around a series of triazolopyridines as potent and selective PI3K¿ inhibitors. |
Bioorg Med Chem Lett 22: 5257-63 (2012) | Cellzome Ltd | 2D 3D TSV |
| 22819764 | 35 | Rapid identification of ETP-46992, orally bioavailable PI3K inhibitor, selective versus mTOR. |
Bioorg Med Chem Lett 22: 5208-14 (2012) | Spanish National Cancer Research Centre (CNIO) | 2D 3D TSV |
| 22819505 | 46 | Discovery and characterization of novel allosteric FAK inhibitors. |
Eur J Med Chem 61: 49-60 (2013) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22819191 | 17 | Synthesis, biological evaluation, and molecular docking studies of N-((1,3-diphenyl-1H-pyrazol-4-yl)methyl)aniline derivatives as novel anticancer agents. |
Bioorg Med Chem 20: 4895-900 (2012) | Changzhou University | 2D 3D TSV |
| 22818971 | 3 | (+)-Pinoresinol is a putative hypoglycemic agent in defatted sesame (Sesamum indicum) seeds though inhibitinga-glucosidase. |
Bioorg Med Chem Lett 22: 5215-7 (2012) | Chulalongkorn University | 2D 3D TSV |
| 22818849 | 36 | Synthesis, design and biological evaluation of novel highly potent tacrine congeners for the treatment of Alzheimer's disease. |
Eur J Med Chem 55: 23-31 (2012) | P. J. Safarik University | 2D 3D TSV |
| 22818848 | 29 | Novel oxazolo[4,5-g]quinazolin-2(1H)-ones: dual inhibitors of EGFR and Src protein tyrosine kinases. |
Eur J Med Chem 55: 39-48 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 22818082 | 41 | The optimization of pyridazinone series of glucan synthase inhibitors. |
Bioorg Med Chem Lett 22: 5268-71 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22818040 | 26 | Synthesis and biological evaluation of novel C-indolylxylosides as sodium-dependent glucose co-transporter 2 inhibitors. |
Eur J Med Chem 55: 32-8 (2012) | National Health Research Institutes | 2D 3D TSV |
| 22817559 | 4 | Metaproterenol, isoproterenol, and their bisdimethylcarbamate derivatives as human cholinesterase inhibitors. |
J Med Chem 55: 6716-23 (2012) | Institute for Medical Research and Occupational Health | 2D 3D TSV |
| 22815313 | 10 | Acetylenic linkers in lead compounds: a study of the stability of the propargyl-linked antifolates. |
Drug Metab Dispos 40: 2002-8 (2012) | University of Connecticut | 2D 3D TSV |
| 22815312 | 3 | Quantitative prediction of CYP2B6 induction by estradiol during pregnancy: potential explanation for increased methadone clearance during pregnancy. |
Drug Metab Dispos 41: 270-4 (2013) | Amgen | 2D 3D TSV |
| 22814212 | 10 | Discovery of a novel azaindole class of antibacterial agents targeting the ATPase domains of DNA gyrase and Topoisomerase IV. |
Bioorg Med Chem Lett 22: 5150-6 (2012) | AstraZeneca | 2D 3D TSV |
| 22813531 | 141 | Discovery of a Plasmodium falciparum glucose-6-phosphate dehydrogenase 6-phosphogluconolactonase inhibitor (R,Z)-N-((1-ethylpyrrolidin-2-yl)methyl)-2-(2-fluorobenzylidene)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-carboxamide (ML276) that reduces parasite growth in vitro. |
J Med Chem 55: 7262-72 (2012) | University of California | 2D 3D TSV |
| 22809559 | 31 | Synthesis and biological evaluation of analogs of the marine alkaloids granulatimide and isogranulatimide. |
Eur J Med Chem 54: 626-36 (2012) | Universit£ Paul Sabatier | 2D 3D TSV |
| 22809456 | 2 | Discovery of piragliatin--first glucokinase activator studied in type 2 diabetic patients. |
J Med Chem 55: 7021-36 (2012) | Hoffmann-La Roche Inc | 2D 3D TSV |
| 22809299 | 4 | A straightforward approach for engineering efficacy and selectivity at GPCRs. |
J Med Chem 55: 6687-8 (2012) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 22809106 | 4 | Synthesis, inhibitory activity and molecular docking studies of two Cu(II) complexes against Helicobacter pylori urease. |
J Enzyme Inhib Med Chem 27: 528-32 (2012) | Wuhan Textile University | 2D 3D TSV |
| 22808911 | 18 | Conformation-specific effects of Raf kinase inhibitors. |
J Med Chem 55: 7332-41 (2012) | Takeda California Inc | 2D 3D TSV |
| 22803959 | 196 | Identification of a potent sodium hydrogen exchanger isoform 1 (NHE1) inhibitor with a suitable profile for chronic dosing and demonstrated cardioprotective effects in a preclinical model of myocardial infarction in the rat. |
J Med Chem 55: 7114-40 (2012) | Boehringer Ingelheim Pharmaceuticals Inc | 2D 3D TSV |
| 22803810 | 79 | Development of o-chlorophenyl substituted pyrimidines as exceptionally potent aurora kinase inhibitors. |
J Med Chem 55: 7392-416 (2012) | Moffitt Cancer Center | 2D 3D TSV |
| 22803662 | 7 | Synthesis, antielastase, antioxidant and radical scavenging activities of 4-(aza substituted) methylene substituted dihydroxy coumarines. |
J Enzyme Inhib Med Chem 28: 870-5 (2013) | Giresun University | 2D 3D TSV |
| 22801646 | 49 | 4-Phenyl-7-azaindoles as potent, selective and bioavailable IKK2 inhibitors demonstrating good in vivo efficacy. |
Bioorg Med Chem Lett 22: 5222-6 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22801643 | 6 | Selective non-lipid modulator of LPA5 activity in human platelets. |
Bioorg Med Chem Lett 22: 5239-43 (2012) | Sanofi-Aventis Deutschland GmbH | 2D 3D TSV |
| 22801642 | 2 | Discovery of 1-[4-(N-benzylamino)phenyl]-3-phenylurea derivatives as non-peptidic selective SUMO-sentrin specific protease (SENP)1 inhibitors. |
Bioorg Med Chem Lett 22: 5169-73 (2012) | Gakushuin University | 2D 3D TSV |
| 22800535 | 5 | Carbonylhydrazide-based molecular tongs inhibit wild-type and mutated HIV-1 protease dimerization. |
J Med Chem 55: 6762-75 (2012) | Universit£ Paris-Sud 11 | 2D 3D TSV |
| 22800498 | 26 | Rational design of a low molecular weight, stable, potent, and long-lasting GPR103 aza-ß3-pseudopeptide agonist. |
J Med Chem 55: 7516-24 (2012) | Institute for Research and Innovation in Biomedicine (IRIB) | 2D 3D TSV |
| 22796349 | 34 | Rapid and efficient synthesis of a novel series of substituted aminobenzosuberone derivatives as potent, selective, non-peptidic neutral aminopeptidase inhibitors. |
Bioorg Med Chem 20: 4942-53 (2012) | Universit£ de Haute Alsace | 2D 3D TSV |
| 22796184 | 53 | The SAR analysis of TRPV1 agonists with thea-methylated B-region. |
Bioorg Med Chem Lett 22: 5227-31 (2012) | Seoul National University | 2D 3D TSV |
| 22796182 | 7 | Quinolylhydrazones as novel inhibitors of Plasmodium falciparum serine protease PfSUB1. |
Bioorg Med Chem Lett 22: 5317-21 (2012) | University of Siena | 2D 3D TSV |
| 22796181 | 51 | C3-heteroaroyl cannabinoids as photolabeling ligands for the CB2 cannabinoid receptor. |
Bioorg Med Chem Lett 22: 5322-5 (2012) | University of Hawaii at Manoa | 2D 3D TSV |
| 22795900 | 3 | Identification of new¿-hydroxybutenolides that preferentially inhibit the activity of mPGES-1. |
Bioorg Med Chem 20: 5012-6 (2012) | University of Salerno | 2D 3D TSV |
| 22795831 | 73 | Synthesis of C-4-modified zanamivir analogs as neuraminidase inhibitors and their anti-AIV activities. |
Eur J Med Chem 54: 764-70 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22795665 | 24 | Synthesis, biological assessment, and molecular modeling of racemic 7-aryl-9,10,11,12-tetrahydro-7H-benzo[7,8]chromeno[2,3-b]quinolin-8-amines as potential drugs for the treatment of Alzheimer's disease. |
Eur J Med Chem 54: 750-63 (2012) | Universit£ de Sfax | 2D 3D TSV |
| 22795629 | 59 | Benzoylbenzimidazole-based selective inhibitors targeting Cryptosporidium parvum and Toxoplasma gondii calcium-dependent protein kinase-1. |
Bioorg Med Chem Lett 22: 5264-7 (2012) | University of Washington | 2D 3D TSV |
| 22795332 | 66 | Optimisation of imidazole compounds as selective TAAR1 agonists: discovery of RO5073012. |
Bioorg Med Chem Lett 22: 5244-8 (2012) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 22795331 | 51 | Pyrimidinopyrimidine inhibitors of ketohexokinase: exploring the ring C2 group that interacts with Asp-27B in the ligand binding pocket. |
Bioorg Med Chem Lett 22: 5326-9 (2012) | Janssen Pharmaceutical Companies of Johnson & Johnson L.L.C. | 2D 3D TSV |
| 22793665 | 190 | Discovery of 3-(5-chloro-2-furoyl)-3,7-diazabicyclo[3.3.0]octane (TC-6683, AZD1446), a novel highly selectivea4ß2 nicotinic acetylcholine receptor agonist for the treatment of cognitive disorders. |
J Med Chem 55: 9181-94 (2012) | Targacept Inc | 2D 3D TSV |
| 22793499 | 19 | Shape-based reprofiling of FDA-approved drugs for the H1 histamine receptor. |
J Med Chem 55: 7054-60 (2012) | University of Oxford | 2D 3D TSV |
| 22793372 | 66 | Discovery of a series of 2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)acetamides as novel molecular switches that modulate modes of K(v)7.2 (KCNQ2) channel pharmacology: identification of (S)-2-phenyl-N-(2-(pyrrolidin-1-yl)phenyl)butanamide (ML252) as a potent, brain penetrant K(v)7.2 channel inhibitor. |
J Med Chem 55: 6975-9 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
| 22793255 | 16 | Evaluation of new scaffolds of myeloperoxidase inhibitors by rational design combined with high-throughput virtual screening. |
J Med Chem 55: 7208-18 (2012) | Universit£ Libre de Bruxelles | 2D 3D TSV |
| 22789708 | 15 | Benzimidazole-2-one: a novel anchoring principle for antagonizing p53-Mdm2. |
Bioorg Med Chem 21: 3982-95 (2013) | University of Pittsburgh | 2D 3D TSV |
| 22789707 | 8 | Anacardic acid derived salicylates are inhibitors or activators of lipoxygenases. |
Bioorg Med Chem 20: 5027-32 (2012) | Groningen Research Institute of Pharmacy | 2D 3D TSV |
| 22789706 | 38 | Synthesis and in vitro evaluation ofa-synuclein ligands. |
Bioorg Med Chem 20: 4625-34 (2012) | Washington University | 2D 3D TSV |
| 22789427 | 1 | Inhibition of VEGF transcription through blockade of the hypoxia inducible factor-1?-p300 interaction by a small molecule. |
Bioorg Med Chem Lett 22: 5249-52 (2012) | Korea Institute of Science and Technology | 2D 3D TSV |
| 22788964 | 2 | Designing allosteric regulators of thrombin. Monosulfated benzofuran dimers selectively interact with Arg173 of exosite 2 to induce inhibition. |
J Med Chem 55: 6888-97 (2012) | Virginia Commonwealth University | 2D 3D TSV |
| 22788932 | 18 | Identification and characterization of human apurinic/apyrimidinic endonuclease-1 inhibitors. |
Biochemistry 51: 6246-59 (2012) | University of Pittsburgh | 2D 3D TSV |
| 22788843 | 46 | Novel imidazol-1-ylmethyl substituted 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-ones as potent and selective CYP11B1 inhibitors for the treatment of Cushing's syndrome. |
J Med Chem 55: 6629-33 (2012) | Saarland University and Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) | 2D 3D TSV |
| 22784805 | 260 | Synthesizing Selective Agonists for the ?7 Nicotinic Receptor with in situ Click-Chemistry on Acetylcholine Binding Protein Templates. |
Mol Pharmacol 82: 687-699 (2014) | University of California San Diego | 2D 3D TSV |
| 22784640 | 36 | Discovery of ITX 4520: a highly potent orally bioavailable hepatitis C virus entry inhibitor. |
Bioorg Med Chem Lett 22: 4955-61 (2012) | iTherX Pharmaceuticals, Inc. | 2D 3D TSV |
| 22784008 | 100 | Synthesis and biological evaluation of the 1-arylpyrazole class ofs(1) receptor antagonists: identification of 4-{2-[5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy]ethyl}morpholine (S1RA, E-52862). |
J Med Chem 55: 8211-24 (2012) | Esteve | 2D 3D TSV |
| 22783984 | 4 | Optimization of 4-aminoquinoline/clotrimazole-based hybrid antimalarials: further structure-activity relationships, in vivo studies, and preliminary toxicity profiling. |
J Med Chem 55: 6948-67 (2012) | Universit£ di Siena | 2D 3D TSV |
| 22781190 | 102 | Synthesis and evaluation of aplysinopsin analogs as inhibitors of human monoamine oxidase A and B. |
Bioorg Med Chem Lett 22: 4926-9 (2012) | University of Mississippi | 2D 3D TSV |
| 22780961 | 3 | Predicting new indications for approved drugs using a proteochemometric method. |
J Med Chem 55: 6832-48 (2012) | Georgetown University Medical Center | 2D 3D TSV |
| 22780914 | 35 | Design and discovery of 6-[(3S,4S)-4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-1-(tetrahydro-2H-pyran-4-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (PF-04447943), a selective brain penetrant PDE9A inhibitor for the treatment of cognitive disorders. |
J Med Chem 55: 9045-54 (2012) | Pfizer Inc | 2D 3D TSV |
| 22779702 | 53 | Discovery of potent inhibitors of human and mouse fatty acid amide hydrolases. |
J Med Chem 55: 6898-915 (2012) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 22779424 | 31 | Novel N-linked aminopiperidine inhibitors of bacterial topoisomerase type II with reduced pK(a): antibacterial agents with an improved safety profile. |
J Med Chem 55: 6916-33 (2012) | AstraZeneca | 2D 3D TSV |
| 22778800 | 24 | Rational Drug Design Leading to the Identification of a Potent 5-HT(2C) Agonist Lacking 5-HT(2B) Activity. |
ACS Med Chem Lett 2: 929-932 (2011) | TBA | 2D 3D TSV |
| 22776417 | 7 | Synthesis and biological evaluation of novel unsaturated carboxysteroids as human 5a-reductase inhibitors: a legitimate approach. |
Eur J Med Chem 54: 728-39 (2012) | Panjab University | 2D 3D TSV |
| 22775474 | 9 | Geranylphenazinediol, an acetylcholinesterase inhibitor produced by a Streptomyces species. |
J Nat Prod 75: 1400-4 (2012) | Kieler Wirkstoff-Zentrum (KiWiZ) at the Helmholtz-Zenrum f�r Ozeanforschung GEOMAR | 2D 3D TSV |
| 22775345 | 74 | Development of potent carbonic anhydrase inhibitors incorporating both sulfonamide and sulfamide groups. |
J Med Chem 55: 6776-83 (2012) | Istituto di Biostrutture e Bioimmagini-CNR | 2D 3D TSV |
| 22775318 | 3 | Double-headed sulfur-linked amino acids as first inhibitors for betaine-homocysteine S-methyltransferase 2. |
J Med Chem 55: 6822-31 (2012) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 22771232 | 18 | Design, synthesis, biochemical studies, cellular characterization, and structure-based computational studies of small molecules targeting the urokinase receptor. |
Bioorg Med Chem 20: 4760-73 (2012) | Indiana University | 2D 3D TSV |
| 22771010 | 3 | An efficient synthesis of 3-OBn-6ß,14-epoxy-bridged opiates from naltrexone and identification of a related dual MOR inverse agonist/KOR agonist. |
Bioorg Med Chem Lett 22: 6801-5 (2012) | University of New England | 2D 3D TSV |
| 22771009 | 9 | Discovery of MEK/PI3K dual inhibitor via structure-based virtual screening. |
Bioorg Med Chem Lett 22: 4946-50 (2012) | Sejong University | 2D 3D TSV |
| 22771008 | 4 | Crystal structure of phosphoethanolamine methyltransferase from Plasmodium falciparum in complex with amodiaquine. |
Bioorg Med Chem Lett 22: 4990-3 (2012) | Washington University | 2D 3D TSV |
| 22771007 | 64 | Design, synthesis, modeling, biological evaluation and photoaffinity labeling studies of novel series of photoreactive benzamide probes for histone deacetylase 2. |
Bioorg Med Chem Lett 22: 5025-30 (2012) | University of Illinois at Chicago | 2D 3D TSV |
| 22770928 | 15 | The potential role of anibamine, a natural product CCR5 antagonist, and its analogues as leads toward development of anti-ovarian cancer agents. |
Bioorg Med Chem Lett 22: 5093-7 (2012) | Virginia Commonwealth University | 2D 3D TSV |
| 22770610 | 2 | Evaluation of potential Myt1 kinase inhibitors by TR-FRET based binding assay. |
Eur J Med Chem 61: 41-8 (2013) | Martin-Luther-University Halle-Wittenberg | 2D 3D TSV |
| 22770609 | 11 | The binding of C5-alkynyl and alkylfurano[2,3-d]pyrimidine glucopyranonucleosides to glycogen phosphorylase b: synthesis, biochemical and biological assessment. |
Eur J Med Chem 54: 740-9 (2012) | University of Thessaly | 2D 3D TSV |
| 22770608 | 35 | Synthesis and in vitro biological evaluation of 2,6,9-trisubstituted purines targeting multiple cyclin-dependent kinases. |
Eur J Med Chem 61: 61-72 (2013) | Palack£ University | 2D 3D TSV |
| 22770607 | 54 | Potent direct inhibitors of factor Xa based on the tetrahydroisoquinoline scaffold. |
Eur J Med Chem 54: 771-83 (2012) | Virginia Commonwealth University | 2D 3D TSV |
| 22770529 | 7 | Novel trisubstituted harmine derivatives with original in vitro anticancer activity. |
J Med Chem 55: 6489-501 (2012) | University of Namur (FUNDP) | 2D 3D TSV |
| 22770500 | 219 | 3-Oxoisoindoline-1-carboxamides: potent, state-dependent blockers of voltage-gated sodium channel Na(V)1.7 with efficacy in rat pain models. |
J Med Chem 55: 6866-80 (2012) | AstraZeneca | 2D 3D TSV |
| 22766219 | 67 | Discovery and SAR of orally efficacious tetrahydropyridopyridazinone PARP inhibitors for the treatment of cancer. |
Bioorg Med Chem 20: 4635-45 (2012) | Abbott Laboratories | 2D 3D TSV |
| 22765901 | 43 | Synthesis and SAR studies of bicyclic amine series GPR119 agonists. |
Bioorg Med Chem Lett 22: 5123-8 (2012) | Sanwa Kagaku Kenkyusho Co., Ltd | 2D 3D TSV |
| 22765900 | 24 | Conformationally-restricted cyclic sulfones as potent and selective mTOR kinase inhibitors. |
Bioorg Med Chem Lett 22: 5114-7 (2012) | Pfizer Inc | 2D 3D TSV |
| 22765895 | 72 | Discovery and optimization of potent and selective imidazopyridine and imidazopyridazine mTOR inhibitors. |
Bioorg Med Chem Lett 22: 4967-74 (2012) | Amgen Inc | 2D 3D TSV |
| 22765894 | 223 | The design, synthesis, and biological evaluation of potent receptor tyrosine kinase inhibitors. |
Bioorg Med Chem Lett 22: 4979-85 (2012) | Exelixis Inc | 2D 3D TSV |
| 22765893 | 32 | Discovery and optimization of novel purines as potent and selective CB2 agonists. |
Bioorg Med Chem Lett 22: 4962-6 (2012) | Eli Lilly and Company | 2D 3D TSV |
| 22765892 | 48 | Benzoxazole and benzothiazole amides as novel pharmacokinetic enhancers of HIV protease inhibitors. |
Bioorg Med Chem Lett 22: 4998-5002 (2012) | Janssen Infectious Diseases-Diagnostics BVBA | 2D 3D TSV |
| 22765237 | 28 | Virtual screening and computational optimization for the discovery of covalent prolyl oligopeptidase inhibitors with activity in human cells. |
J Med Chem 55: 6306-15 (2012) | McGill University | 2D 3D TSV |
| 22764122 | 9 | Targeting Tumour Proliferation with a Small-Molecule Inhibitor of AICAR Transformylase Homodimerization. |
Chembiochem 13: 1628-34 (2012) | University of Southampton | 2D 3D TSV |
| 22763369 | 1 | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors: 2. Synthesis and characterization of a novel imide-type prodrug for improving oral absorption. |
Bioorg Med Chem 20: 4680-92 (2012) | Takeda Pharmaceutical Company Limited | 2D 3D TSV |
| 22763201 | 1 | Oxoquinoline acyclonucleoside phosphonate analogues as a new class of specific inhibitors of human immunodeficiency virus type 1. |
Bioorg Med Chem Lett 22: 5055-8 (2012) | Universidade Federal Fluminense | 2D 3D TSV |
| 22762530 | 2 | Conformationally-locked N-glycosides with selectiveß-glucosidase inhibitory activity: identification of a new non-iminosugar-type pharmacological chaperone for Gaucher disease. |
J Med Chem 55: 6857-65 (2012) | Universitat Rovira i Virgili | 2D 3D TSV |
| 22761000 | 123 | Predictive model for L-type channel inhibition: multichannel block in QT prolongation risk assessment. |
J Appl Toxicol 32: 858-66 (2012) | Jagiellonian University | 2D 3D TSV |
| 22759374 | 3 | Identification of Type-II Inhibitors Using Kinase Structures. |
Chem Biol Drug Des 80: 657-64 (2012) | Pfizer Inc | 2D 3D TSV |
| 22758660 | 2 | Saquayamycins G-K, cytotoxic angucyclines from Streptomyces sp. Including two analogues bearing the aminosugar rednose. |
J Nat Prod 75: 1383-92 (2012) | University of Kentucky | 2D 3D TSV |
| 22754607 | 6 | S-Farnesyl-Thiopropionic Acid (FTPA) Triazoles as Potent Inhibitors of Isoprenylcysteine Carboxyl Methyltransferase. |
ACS Med Chem Lett 3: 15-19 (2012) | TBA | 2D 3D TSV |
| 22753086 | 6 | Kinetics Studies on the Inhibition Mechanism of Pancreatic α-Amylase by Glycoconjugated 1H-1,2,3-Triazoles: A New Class of Inhibitors with Hypoglycemiant Activity. |
Chembiochem 13: 1584-93 (2012) | Yonsei University | 2D 3D TSV |
| 22752007 | 1 | Comparison of metabolism of sesamin and episesamin by drug-metabolizing enzymes in human liver. |
Drug Metab Dispos 40: 1917-26 (2012) | Toyama Prefectural University | 2D 3D TSV |
| 22750139 | 28 | Methylation of imidazoline related compounds leads to loss ofa2-adrenoceptor affinity. Synthesis and biological evaluation of selective I1 imidazoline receptor ligands. |
Bioorg Med Chem 20: 4710-5 (2012) | University of Strasburg | 2D 3D TSV |
| 22750138 | 8 | ¿-amino-ß-fluorocyclopropanecarboxylic acids as a new tool for drug development: synthesis of glutamic acid analogs and agonist activity towards metabotropic glutamate receptor 4. |
Bioorg Med Chem 20: 4716-26 (2012) | INSA de Rouen and Universit£ de Rouen | 2D 3D TSV |
| 22750010 | 30 | Synthesis and biological evaluation of 4'-[(benzimidazole-1-yl)methyl]biphenyl-2-sulfonamide derivatives as dual angiotensin II/endothelin A receptor antagonists. |
Bioorg Med Chem 20: 4661-7 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 22749871 | 92 | Development of novel M1 antagonist scaffolds through the continued optimization of the MLPCN probe ML012. |
Bioorg Med Chem Lett 22: 5035-40 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
| 22749870 | 48 | Discovery of benzylisothioureas as potent divalent metal transporter 1 (DMT1) inhibitors. |
Bioorg Med Chem Lett 22: 5108-13 (2012) | Xenon Pharmaceuticals Inc | 2D 3D TSV |
| 22749869 | 82 | Discovery and optimization of novel fatty acid transport protein 1 (FATP1) inhibitors. |
Bioorg Med Chem Lett 22: 5067-70 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 22749826 | 28 | Discovery and structure-activity relationships of urea derivatives as potent and novel CCR3 antagonists. |
Bioorg Med Chem Lett 22: 4951-4 (2012) | Toray Industries Inc | 2D 3D TSV |
| 22749643 | 69 | Structure-based optimization of oxadiazole-based GSK-3 inhibitors. |
Eur J Med Chem 61: 26-40 (2013) | Technische Universit£t Darmstadt | 2D 3D TSV |
| 22749641 | 15 | Synthesis and evaluation of carbocyanine dyes as PRMT inhibitors and imaging agents. |
Eur J Med Chem 54: 647-59 (2012) | Georgia State University | 2D 3D TSV |
| 22749640 | 36 | Doing the methylene shuffle--further insights into the inhibition of mitotic kinesin Eg5 with S-trityl L-cysteine. |
Eur J Med Chem 54: 483-98 (2012) | University of Strathclyde | 2D 3D TSV |
| 22749422 | 43 | Synthesis and structure-activity relationships of pyrido[3,2-b]pyrazin-3(4H)-ones and pteridin-7(8H)-ones as corticotropin-releasing factor-1 receptor antagonists. |
Bioorg Med Chem Lett 22: 4986-9 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22749420 | 13 | Efficient synthesis and 5-LOX/COX-inhibitory activity of some 3-hydroxybenzo[b]thiophene-2-carboxylic acid derivatives. |
Bioorg Med Chem Lett 22: 5031-4 (2012) | University of Hamburg | 2D 3D TSV |
| 22749419 | 22 | Design and synthesis of a novel pyrrolidinyl pyrido pyrimidinone derivative as a potent inhibitor of PI3Ka and mTOR. |
Bioorg Med Chem Lett 22: 5098-103 (2012) | Pfizer Inc | 2D 3D TSV |
| 22749391 | 72 | Detailed structure-activity relationship of indolecarboxamides as H4 receptor ligands. |
Eur J Med Chem 54: 660-8 (2012) | Boehringer Ingelheim RCV GmbH & Co KG | 2D 3D TSV |
| 22749282 | 12 | Design and synthesis of novel p38a MAP kinase inhibitors: discovery of pyrazole-benzyl ureas bearing 2-molpholinopyrimidine moiety. |
Bioorg Med Chem Lett 22: 5118-22 (2012) | Toray Industries Inc | 2D 3D TSV |
| 22749281 | 1 | Synthesis and in vitro evaluation of [18F](R)-FEPAQ: a potential PET ligand for VEGFR2. |
Bioorg Med Chem Lett 22: 5104-7 (2012) | Columbia University College of Physicians and Surgeons | 2D 3D TSV |
| 22749278 | 16 | Diazaspirocyclic compounds as selective ligands for thea4ß2 nicotinic acetylcholine receptor. |
Bioorg Med Chem Lett 22: 5089-92 (2012) | Targacept Inc | 2D 3D TSV |
| 22749190 | 23 | Wake-promoting agents: search for next generation modafinil: part IV. |
Eur J Med Chem 54: 949-51 (2012) | Cephalon (France) | 2D 3D TSV |
| 22749189 | 24 | Inhibitors of the TAM subfamily of tyrosine kinases: synthesis and biological evaluation. |
Eur J Med Chem 61: 2-25 (2013) | Institut Curie | 2D 3D TSV |
| 22748707 | 8 | Synthesis and biological evaluation of new N-acyl-homoserine-lactone analogues, based on triazole and tetrazole scaffolds, acting as LuxR-dependent quorum sensing modulators. |
Bioorg Med Chem 20: 4727-36 (2012) | INSA Lyon | 2D 3D TSV |
| 22748706 | 52 | Design, synthesis, and pharmacological evaluation of novel tetrahydroprotoberberine derivatives: selective inhibitors of dopamine D1 receptor. |
Bioorg Med Chem 20: 4862-71 (2012) | Shenyang Pharmaceutical University | 2D 3D TSV |
| 22748705 | 2 | Total synthesis of grassystatin A, a probe for cathepsin E function. |
Bioorg Med Chem 20: 4774-80 (2012) | Fudan University | 2D 3D TSV |
| 22748377 | 1 | Synthesis and evaluation of the quorum sensing inhibitory effect of substituted triazolyldihydrofuranones. |
Bioorg Med Chem 20: 4737-43 (2012) | Ghent University | 2D 3D TSV |
| 22747598 | 33 | Structure-based design of potent Bcl-2/Bcl-xL inhibitors with strong in vivo antitumor activity. |
J Med Chem 55: 6149-61 (2012) | University of Michigan | 2D 3D TSV |
| 22746350 | 41 | Design, synthesis, and biological evaluation of nonsteroidal cycloalkane[d]isoxazole-containing androgen receptor modulators. |
J Med Chem 55: 6316-27 (2012) | University of Eastern Finland | 2D 3D TSV |
| 22746324 | 8 | Synthesis and evaluation of substituted chroman-4-one and chromone derivatives as sirtuin 2-selective inhibitors. |
J Med Chem 55: 7104-13 (2012) | University of Gothenburg | 2D 3D TSV |
| 22746295 | 91 | Mitogen-activated protein kinase-activated protein kinase 2 (MAPKAP-K2) as an antiinflammatory target: discovery and in vivo activity of selective pyrazolo[1,5-a]pyrimidine inhibitors using a focused library and structure-based optimization approach. |
J Med Chem 55: 6700-15 (2012) | Teijin Pharma Ltd. | 2D 3D TSV |
| 22746274 | 4 | Design and in vitro activities of N-alkyl-N-[(8-R-2,2-dimethyl-2H-chromen-6-yl)methyl]heteroarylsulfonamides, novel, small-molecule hypoxia inducible factor-1 pathway inhibitors and anticancer agents. |
J Med Chem 55: 6738-50 (2012) | Emory University | 2D 3D TSV |
| 22743085 | 21 | Experimental and 'in silico' analysis of the effect of pH on HIV-1 protease inhibitor affinity: implications for the charge state of the protein ionogenic groups. |
Bioorg Med Chem 20: 4838-47 (2012) | Universidad de Santiago de Compostela | 2D 3D TSV |
| 22742909 | 24 | Essential structure of opioid¿ receptor agonist nalfurafine for binding to the¿ receptor 2: synthesis of decahydro(iminoethano)phenanthrene derivatives and their pharmacologies. |
Bioorg Med Chem Lett 22: 5071-4 (2012) | Kitasato University | 2D 3D TSV |
| 22742641 | 113 | (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis. |
J Med Chem 55: 6363-74 (2012) | AstraZeneca | 2D 3D TSV |
| 22742586 | 13 | Synthesis and nicotinic acetylcholine receptor in vitro and in vivo pharmacological properties of 2'-fluoro-3'-(substituted phenyl)deschloroepibatidine analogues of 2'-fluoro-3'-(4-nitrophenyl)deschloroepibatidine. |
J Med Chem 55: 6512-22 (2012) | Research Triangle Institute | 2D 3D TSV |
| 22742537 | 3 | Ligand-based design, synthesis, and biological evaluation of 2-aminopyrimidines, a novel series of receptor for advanced glycation end products (RAGE) inhibitors. |
J Med Chem 55: 9120-35 (2012) | Seoul National University | 2D 3D TSV |
| 22739090 | 86 | Novel tricyclic indeno[2,1-d]pyrimidines with dual antiangiogenic and cytotoxic activities as potent antitumor agents. |
Bioorg Med Chem 20: 4217-25 (2012) | Duquesne University | 2D 3D TSV |
| 22739089 | 42 | Synthesis and evaluation of in vitro bioactivity for vesicular acetylcholine transporter inhibitors containing two carbonyl groups. |
Bioorg Med Chem 20: 4422-9 (2012) | Washington University | 2D 3D TSV |
| 22739087 | 3 | Structure-based design of rhodanine-based acylsulfonamide derivatives as antagonists of the anti-apoptotic Bcl-2 protein. |
Bioorg Med Chem 20: 4194-200 (2012) | Soochow University | 2D 3D TSV |
| 22739085 | 29 | Novel 5-substituted benzyloxy-2-arylbenzofuran-3-carboxylic acids as calcium activated chloride channel inhibitors. |
Bioorg Med Chem 20: 4237-44 (2012) | Kurukshetra University | 2D 3D TSV |
| 22739084 | 15 | Synthesis and SAR-study for novel arylpiperazine derivatives of 5-arylidenehydantoin with ??-adrenoceptor antagonistic properties. |
Bioorg Med Chem 20: 4245-57 (2012) | Jagiellonian University Medical College | 2D 3D TSV |
| 22738639 | 6 | Contribution of indazolinone tautomers to kinase activity. |
Bioorg Med Chem Lett 22: 4502-5 (2012) | Abbott Laboratories | 2D 3D TSV |
| 22738638 | 59 | Assay and inhibition of diacylglycerol lipase activity. |
Bioorg Med Chem Lett 22: 4585-92 (2012) | Northeastern University | 2D 3D TSV |
| 22738637 | 19 | Discovery of N-(4-methoxy-7-methylbenzo[d]thiazol-2-yl)isonicatinamide, ML293, as a novel, selective and brain penetrant positive allosteric modulator of the muscarinic 4 (M4) receptor. |
Bioorg Med Chem Lett 22: 5084-8 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
| 22738635 | 87 | Discovery of novel PI3K¿/d inhibitors as potential agents for inflammation. |
Bioorg Med Chem Lett 22: 4546-9 (2012) | Cellzome Ltd | 2D 3D TSV |
| 22738633 | 4 | 'Click' synthesis of a triazole-based inhibitor of Met functions in cancer cells. |
Bioorg Med Chem Lett 22: 4693-6 (2012) | Universit£ degli Studi di Milano | 2D 3D TSV |
| 22738631 | 6 | New farnesyltransferase inhibitors in the phenothiazine series. |
Bioorg Med Chem Lett 22: 4517-22 (2012) | Al. I. Cuza University of Iasi | 2D 3D TSV |
| 22738630 | 76 | Structure-based optimization of aminopyridines as PKC¿ inhibitors. |
Bioorg Med Chem Lett 22: 4645-9 (2012) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 22738629 | 47 | CCLab--a multi-objective genetic algorithm based combinatorial library design software and an application for histone deacetylase inhibitor design. |
Bioorg Med Chem Lett 22: 4540-5 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22738628 | 38 | Moderate chemical modifications of WAY-100635 improve the selectivity for 5-HT1A versus D4 receptors. |
Bioorg Med Chem Lett 22: 4550-4 (2012) | University of Li£ge | 2D 3D TSV |
| 22738356 | 2 | Antidiabetic compounds from Sarracenia purpurea used traditionally by the Eeyou Istchee Cree First Nation. |
J Nat Prod 75: 1284-8 (2012) | University of Ottawa | 2D 3D TSV |
| 22738316 | 35 | Investigations on the 1-(2-biphenyl)piperazine motif: identification of new potent and selective ligands for the serotonin(7) (5-HT(7)) receptor with agonist or antagonist action in vitro or ex vivo. |
J Med Chem 55: 6375-80 (2012) | Universit£ degli Studi di Bari A. Moro | 2D 3D TSV |
| 22738293 | 7 | Discovery of novel N-phenylphenoxyacetamide derivatives as EthR inhibitors and ethionamide boosters by combining high-throughput screening and synthesis. |
J Med Chem 55: 6391-402 (2012) | University of Lille | 2D 3D TSV |
| 22738271 | 250 | 7-Oxo-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxamides as selective CB(2) cannabinoid receptor ligands: structural investigations around a novel class of full agonists. |
J Med Chem 55: 6608-23 (2012) | Universit£ di Ferrara | 2D 3D TSV |
| 22738238 | 29 | Orally active adenosine A(1) receptor agonists with antinociceptive effects in mice. |
J Med Chem 55: 6467-77 (2012) | University of North Carolina at Chapel Hill | 2D 3D TSV |
| 22737278 | 44 | Structure-Activity Relationship for Thiirane-Based Gelatinase Inhibitors. |
ACS Med Chem Lett 3: 490-495 (2012) | TBA | 2D 3D TSV |
| 22734674 | 81 | The discovery and optimization of a novel class of potent, selective, and orally bioavailable anaplastic lymphoma kinase (ALK) inhibitors with potential utility for the treatment of cancer. |
J Med Chem 55: 6523-40 (2012) | Amgen Inc | 2D 3D TSV |
| 22734650 | 6 | Allyl m-trifluoromethyldiazirine mephobarbital: an unusually potent enantioselective and photoreactive barbiturate general anesthetic. |
J Med Chem 55: 6554-65 (2012) | Massachusetts General Hospital | 2D 3D TSV |
| 22734622 | 78 | Synthesis and evaluation of aryl-naloxamide opiate analgesics targeting truncated exon 11-associatedµ opioid receptor (MOR-1) splice variants. |
J Med Chem 55: 6352-62 (2012) | Memorial Sloan-Kettering Cancer Center | 2D 3D TSV |
| 22732695 | 26 | Design and synthesis of potent antagonists containing rigid spirocyclic privileged structures for the CGRP receptor. |
Bioorg Med Chem Lett 22: 4719-22 (2012) | Bristol-Myers Squibb R & D | 2D 3D TSV |
| 22731815 | 14 | Virtual screening identifies novel sulfonamide inhibitors of ecto-5'-nucleotidase. |
J Med Chem 55: 6576-81 (2012) | Rheinische Friedrich-Wilhelms-Universit£t | 2D 3D TSV |
| 22727780 | 17 | Thiorhodamines containing amide and thioamide functionality as inhibitors of the ATP-binding cassette drug transporter P-glycoprotein (ABCB1). |
Bioorg Med Chem 20: 4290-302 (2012) | The State University of New York | 2D 3D TSV |
| 22727779 | 6 | Bisubstrate analog inhibitors of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase: new lead exhibits a distinct binding mode. |
Bioorg Med Chem 20: 4303-9 (2012) | National Cancer Institute | 2D 3D TSV |
| 22727645 | 42 | The synthesis and SAR of calcitonin gene-related peptide (CGRP) receptor antagonists derived from tyrosine surrogates. Part 1. |
Bioorg Med Chem Lett 22: 4723-7 (2012) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
| 22727644 | 43 | Synthesis and structure-activity relationship studies of 1,3-disubstituted 2-propanols as BACE-1 inhibitors. |
Bioorg Med Chem Lett 22: 4740-4 (2012) | University of South Florida | 2D 3D TSV |
| 22727640 | 68 | Discovery of novel benzylidene-1,3-thiazolidine-2,4-diones as potent and selective inhibitors of the PIM-1, PIM-2, and PIM-3 protein kinases. |
Bioorg Med Chem Lett 22: 4599-604 (2012) | AstraZeneca | 2D 3D TSV |
| 22727639 | 24 | Further optimization of the K-Cl cotransporter KCC2 antagonist ML077: development of a highly selective and more potent in vitro probe. |
Bioorg Med Chem Lett 22: 4532-5 (2012) | Vanderbilt University School of Medicine | 2D 3D TSV |
| 22727637 | 85 | Exploration of diverse hinge-binding scaffolds for selective Aurora kinase inhibitors. |
Bioorg Med Chem Lett 22: 4528-31 (2012) | Abbott Laboratories | 2D 3D TSV |
| 22727448 | 16 | Synthesis and biological evaluation of novel (-)-Cercosporamide derivatives as potent selective PPAR¿ modulators. |
Eur J Med Chem 54: 522-33 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 22727447 | 8 | Design and synthesis of new (E)-cinnamic N-acylhydrazones as potent antitrypanosomal agents. |
Eur J Med Chem 54: 512-21 (2012) | Instituto de Tecnologia em F£rmacos - Farmanguinhos | 2D 3D TSV |
| 22727372 | 14 | Novel retinoic acid 4-hydroxylase (CYP26) inhibitors based on a 3-(1H-imidazol- and triazol-1-yl)-2,2-dimethyl-3-(4-(phenylamino)phenyl)propyl scaffold. |
Bioorg Med Chem 20: 4201-7 (2012) | Cardiff University | 2D 3D TSV |
| 22727371 | 22 | Design, synthesis and biological activity of 6-substituted carbamoyl benzimidazoles as new nonpeptidic angiotensin II AT1 receptor antagonists. |
Bioorg Med Chem 20: 4208-16 (2012) | School of Chemical Engineering & the Environment | 2D 3D TSV |
| 22727369 | 6 | Design, synthesis, biological evaluation and molecular modeling of novel 1,3,4-oxadiazole derivatives based on Vanillic acid as potential immunosuppressive agents. |
Bioorg Med Chem 20: 4226-36 (2012) | Nanjing University | 2D 3D TSV |
| 22726934 | 58 | Design and optimization of novel (2S,4S,5S)-5-amino-6-(2,2-dimethyl-5-oxo-4-phenylpiperazin-1-yl)-4-hydroxy-2-isopropylhexanamides as renin inhibitors. |
Bioorg Med Chem Lett 22: 4561-6 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 22726931 | 113 | 3-Phenyl-1H-5-pyrazolylamine-based derivatives as potent and efficacious inhibitors of FMS-like tyrosine kinase-3 (FLT3). |
Bioorg Med Chem Lett 22: 4654-9 (2012) | National Health Research Institutes | 2D 3D TSV |
| 22726930 | 7 | Novel BACE1 inhibitors possessing a 5-nitroisophthalic scaffold at the P2 position. |
Bioorg Med Chem Lett 22: 4640-4 (2012) | Kobe Gakuin University | 2D 3D TSV |
| 22726929 | 118 | Novel 2-(2-(benzylthio)-1H-benzo[d]imidazol-1-yl)acetic acids: discovery and hit-to-lead evolution of a selective CRTh2 receptor antagonist chemotype. |
Bioorg Med Chem Lett 22: 4660-4 (2012) | Actelion Pharmaceuticals Ltd | 2D 3D TSV |
| 22726925 | 216 | Discovery of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(tert-butyl)pyridine-3-sulfonamide (CZC24758), as a potent, orally bioavailable and selective inhibitor of PI3K for the treatment of inflammatory disease. |
Bioorg Med Chem Lett 22: 4613-8 (2012) | Cellzome Ltd | 2D 3D TSV |
| 22726924 | 14 | Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV. |
Bioorg Med Chem Lett 22: 4839-43 (2012) | AstraZeneca | 2D 3D TSV |
| 22726686 | 4 | Acyclic Immucillin Phosphonates: Second-Generation Inhibitors of Plasmodium falciparum Hypoxanthine- Guanine-Xanthine Phosphoribosyltransferase. |
Chem Biol 19: 721-30 (2012) | Albert Einstein College of Medicine | 2D 3D TSV |
| 22726671 | 8 | Neoflavonoids and Tetrahydroquinolones as Possible Cancer Chemopreventive Agents. |
Chem Biol Drug Des 80: 616-624 (2012) | Central Institute of Medicinal and Aromatic Plants | 2D 3D TSV |
| 22726458 | 28 | Synthesis and Biological Evaluation of 3-thiazolocoumarinyl Schiff-base Derivatives as Cholinesterase Inhibitors. |
Chem Biol Drug Des 80: 605-15 (2012) | COMSATS Institute of Information Technology | 2D 3D TSV |
| 22725979 | 23 | Synthesis of novel N-branched acyclic nucleoside phosphonates as potent and selective inhibitors of human, Plasmodium falciparum and Plasmodium vivax 6-oxopurine phosphoribosyltransferases. |
J Med Chem 55: 6209-23 (2012) | Academy of Sciences of the Czech Republic | 2D 3D TSV |
| 22724510 | 84 | Plant growth regulator daminozide is a selective inhibitor of human KDM2/7 histone demethylases. |
J Med Chem 55: 6639-43 (2012) | University of Oxford | 2D 3D TSV |
| 22724451 | 23 | Free fatty acid receptor 1 (FFA1/GPR40) agonists: mesylpropoxy appendage lowers lipophilicity and improves ADME properties. |
J Med Chem 55: 6624-8 (2012) | University of Southern Denmark | 2D 3D TSV |
| 22724433 | 76 | A new class of highly potent and selective endomorphin-1 analogues containinga-methylene-ß-aminopropanoic acids (map). |
J Med Chem 55: 6224-36 (2012) | Lanzhou University | 2D 3D TSV |
| 22721924 | 16 | Design, synthesis and antitumor activities of novel bis-aryl ureas derivatives as Raf kinase inhibitors. |
Bioorg Med Chem 20: 4323-9 (2012) | Academy of Military Medical Sciences | 2D 3D TSV |
| 22721713 | 200 | Ureido-substituted sulfamates show potent carbonic anhydrase IX inhibitory and antiproliferative activities against breast cancer cell lines. |
Bioorg Med Chem Lett 22: 4681-5 (2012) | Ecole Nationale Sup£rieure de Chimie de Montpellier | 2D 3D TSV |
| 22720744 | 8 | Urea-based inhibitors of Trypanosoma brucei methionyl-tRNA synthetase: selectivity and in vivo characterization. |
J Med Chem 55: 6342-51 (2012) | University of Washington | 2D 3D TSV |
| 22715973 | 32 | 1,2,3-Triazole-containing uracil derivatives with excellent pharmacokinetics as a novel class of potent human deoxyuridine triphosphatase inhibitors. |
J Med Chem 55: 6427-37 (2012) | Taiho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22712652 | 23 | New nitrogen containing substituents at the indole-2-carboxamide yield high potent and broad spectrum indolylarylsulfone HIV-1 non-nucleoside reverse transcriptase inhibitors. |
J Med Chem 55: 6634-8 (2012) | Sapienza University of Rome | 2D 3D TSV |
| 22712585 | 106 | Azapeptide analogues of the growth hormone releasing peptide 6 as cluster of differentiation 36 receptor ligands with reduced affinity for the growth hormone secretagogue receptor 1a. |
J Med Chem 55: 6502-11 (2012) | Universit£ de Montr£al | 2D 3D TSV |
| 22712432 | 5 | Identification, synthesis, and biological evaluation of the metabolites of 3-amino-6-(3'-aminopropyl)-5H-indeno[1,2-c]isoquinoline-5,11-(6H)dione (AM6-36), a promising rexinoid lead compound for the development of cancer chemotherapeutic and chemopreventive agents. |
J Med Chem 55: 5965-81 (2012) | The University of Illinois at Chicago | 2D 3D TSV |
| 22711749 | 1 | The role of aldehyde oxidase and xanthine oxidase in the biotransformation of a novel negative allosteric modulator of metabotropic glutamate receptor subtype 5. |
Drug Metab Dispos 40: 1834-45 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
| 22708927 | 14 | Selective mode of action of guanidine-containing non-peptides at human NPFF receptors. |
J Med Chem 55: 6124-36 (2012) | Leipzig University | 2D 3D TSV |
| 22708897 | 100 | Design, synthesis, and biological and structural evaluations of novel HIV-1 protease inhibitors to combat drug resistance. |
J Med Chem 55: 6328-41 (2012) | Sanford-Burnham Medical Research Institute | 2D 3D TSV |
| 22708876 | 106 | Discovery of a novel glucagon receptor antagonist N-[(4-{(1S)-1-[3-(3, 5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-1-yl]ethyl}phenyl)carbonyl]-ß-alanine (MK-0893) for the treatment of type II diabetes. |
J Med Chem 55: 6137-48 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22708838 | 13 | Lead optimization of antimalarial propafenone analogues. |
J Med Chem 55: 6087-93 (2012) | St. Jude Children's Research Hospital | 2D 3D TSV |
| 22707871 | 12 | Kinetic studies of novel inhibitors of endomorphin degrading enzymes. |
Med Chem Res 21: 1445-1450 (2012) | TBA | 2D 3D TSV |
| 22705191 | 45 | Inhibition of monoamine oxidase by 8-phenoxymethylcaffeine derivatives. |
Bioorg Med Chem 20: 4336-47 (2012) | North-West University | 2D 3D TSV |
| 22705189 | 24 | Arylstibonic acids are potent and isoform-selective inhibitors of Cdc25a and Cdc25b phosphatases. |
Bioorg Med Chem 20: 4371-6 (2012) | Imperial College | 2D 3D TSV |
| 22705188 | 73 | Superacid synthesis of halogen containing N-substituted-4-aminobenzene sulfonamides: new selective tumor-associated carbonic anhydrase inhibitors. |
Bioorg Med Chem 21: 1555-63 (2013) | Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers | 2D 3D TSV |
| 22705022 | 32 | Synthesis, biological evaluation and molecular docking studies of 3-(1,3-diphenyl-1H-pyrazol-4-yl)-N-phenylacrylamide derivatives as inhibitors of HDAC activity. |
Bioorg Med Chem 20: 4430-6 (2012) | Nanjing University | 2D 3D TSV |
| 22704921 | 34 | Development and evaluation of multifunctional agents for potential treatment of Alzheimer's disease: application to a pyrimidine-2,4-diamine template. |
Bioorg Med Chem Lett 22: 4707-12 (2012) | University of Waterloo | 2D 3D TSV |
| 22704887 | 12 | Synthesis and evaluation of novel potent HCV NS5A inhibitors. |
Bioorg Med Chem Lett 22: 4864-8 (2012) | Emory University | 2D 3D TSV |
| 22704238 | 18 | Design, synthesis and biological evaluation ofß-carboline derivatives as novel inhibitors targeting B-Raf kinase. |
Bioorg Med Chem Lett 22: 4783-6 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 22704236 | 64 | Discovery of novel hedgehog antagonists from cell-based screening: Isosteric modification of p38 bisamides as potent inhibitors of SMO. |
Bioorg Med Chem Lett 22: 4907-11 (2012) | AstraZeneca | 2D 3D TSV |
| 22703704 | 3 | New synthesis and promising neuroprotective role in experimental ischemic stroke of ONO-1714. |
Eur J Med Chem 54: 439-46 (2012) | Instituto Cajal (CSIC) | 2D 3D TSV |
| 22703703 | 6 | In search for new chemical entities as adenosine receptor ligands: development of agents based on benzo-¿-pyrone skeleton. |
Eur J Med Chem 54: 914-8 (2012) | Universidade do Porto | 2D 3D TSV |
| 22698785 | 28 | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes. |
Bioorg Med Chem 20: 4377-89 (2012) | Link£ping University | 2D 3D TSV |
| 22698782 | 16 | Synthesis and biological evaluation of N-aryl salicylamides with a hydroxamic acid moiety at 5-position as novel HDAC-EGFR dual inhibitors. |
Bioorg Med Chem 20: 4405-12 (2012) | Xi'an Jiaotong University | 2D 3D TSV |
| 22698084 | 99 | Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2. |
J Med Chem 55: 6176-93 (2012) | Genentech | 2D 3D TSV |
| 22697905 | 21 | N'-substituted-2'-O,3'-N-carbonimidoyl bridged macrolides: novel anti-inflammatory macrolides without antimicrobial activity. |
J Med Chem 55: 6111-23 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22696418 | 36 | Evaluation of inhibition selectivity for human cytochrome P450 2A enzymes. |
Drug Metab Dispos 40: 1797-802 (2012) | University of Kansas | 2D 3D TSV |
| 22695182 | 4 | Hyrtioreticulins A-E, indole alkaloids inhibiting the ubiquitin-activating enzyme, from the marine sponge Hyrtios reticulatus. |
Bioorg Med Chem 20: 4437-42 (2012) | Kumamoto University | 2D 3D TSV |
| 22695132 | 56 | Identification of a duald OR antagonist/µ OR agonist as a potential therapeutic for diarrhea-predominant Irritable Bowel Syndrome (IBS-d). |
Bioorg Med Chem Lett 22: 4869-72 (2012) | Janssen Research and Development LLC | 2D 3D TSV |
| 22695131 | 24 | Inhibition of therapeutically important polymerases with high affinity bis-intercalators. |
Bioorg Med Chem Lett 22: 4844-8 (2012) | University of Missouri | 2D 3D TSV |
| 22695126 | 98 | Pyrazole diaminopyrimidines as dual inhibitors of KDR and Aurora B kinases. |
Bioorg Med Chem Lett 22: 4750-5 (2012) | Abbott Laboratories | 2D 3D TSV |
| 22694270 | 5 | Isolation and structural elucidation of cyclic tetrapeptides from Onychocola sclerotica. |
J Nat Prod 75: 1210-4 (2012) | Fundacion MEDINA | 2D 3D TSV |
| 22694147 | 17 | Nanomolar potency and metabolically stable inhibitors of kidney urea transporter UT-B. |
J Med Chem 55: 5942-50 (2012) | San Francisco State University | 2D 3D TSV |
| 22694121 | 5 | An ultrahigh affinity d-peptide antagonist Of MDM2. |
J Med Chem 55: 6237-41 (2012) | University of Maryland | 2D 3D TSV |
| 22694093 | 16 | Life beyond kinases: structure-based discovery of sorafenib as nanomolar antagonist of 5-HT receptors. |
J Med Chem 55: 5749-59 (2012) | National Institute of Biological Sciences | 2D 3D TSV |
| 22691057 | 32 | Discovery of a potent, selective, and orally bioavailable acidic 11ß-hydroxysteroid dehydrogenase type 1 (11ß-HSD1) inhibitor: discovery of 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanylpyridin-2-yl]-3-piperidyl]acetic acid (AZD4017). |
J Med Chem 55: 5951-64 (2012) | AstraZeneca | 2D 3D TSV |
| 22690646 | 6 | Structure and bioassay of triterpenoids and steroids isolated from Sinocalamus affinis. |
J Nat Prod 75: 1160-6 (2012) | Chinese Academy of Medical Sciences and Peking Union Medical College | 2D 3D TSV |
| 22689580 | 90 | Simple Pseudo-dipeptides with a P2' Glutamate: A NOVEL INHIBITOR FAMILY OF MATRIX METALLOPROTEASES AND OTHER METZINCINS. |
J Biol Chem 287: 26647-56 (2012) | Commissariat á l'Energie Atomique | 2D 3D TSV |
| 22688609 | 2 | Metabolism of the active metabolite of quetiapine, N-desalkylquetiapine in vitro. |
Drug Metab Dispos 40: 1778-84 (2012) | Diakonhjemmet Hospital | 2D 3D TSV |
| 22687744 | 24 | Lead optimization of a sulfonylurea-based piperazine pyridazinone series of glucan synthase inhibitors. |
Bioorg Med Chem Lett 22: 4896-9 (2012) | Albany Molecular Research, Inc. (AMRI) | 2D 3D TSV |
| 22687439 | 51 | Synthesis and carbonic anhydrase inhibitory properties of novel bromophenols and their derivatives including natural products: vidalol B. |
Eur J Med Chem 54: 423-8 (2012) | Atat£rk University | 2D 3D TSV |
| 22686946 | 12 | Cytotoxic and potent CYP1 inhibitors from the marine algae Cymopolia barbata. |
Org Med Chem Lett 2: 21 (2012) | University of the West Indies | 2D 3D TSV |
| 22686657 | 60 | Selective nitrile inhibitors to modulate the proteolytic synergism of cathepsins S and F. |
J Med Chem 55: 5982-6 (2012) | University of Bonn | 2D 3D TSV |
| 22685215 | 1 | Mechanism-based inactivation of cytochrome P450 2B6 by methadone through destruction of prosthetic heme. |
Drug Metab Dispos 40: 1765-70 (2012) | University of Michigan | 2D 3D TSV |
| 22683343 | 27 | Design, synthesis and structure-activity relationships of 5-alkylaminolquinolines as a novel series of CRF1 receptor antagonists. |
Bioorg Med Chem Lett 22: 4756-61 (2012) | Eisai Co., Ltd | 2D 3D TSV |
| 22683242 | 47 | Design and synthesis of a second series of triazole-based compounds as potent dual mPGES-1 and 5-lipoxygenase inhibitors. |
Eur J Med Chem 54: 311-23 (2012) | University of Salerno | 2D 3D TSV |
| 22683241 | 33 | Synthesis and biological evaluation of isoxazole, oxazole, and oxadiazole containing heteroaryl analogs of biaryl ureas as DGAT1 inhibitors. |
Eur J Med Chem 54: 324-42 (2012) | Piramal Healthcare Limited | 2D 3D TSV |
| 22683222 | 21 | Discovery, oral pharmacokinetics and in vivo efficacy of a highly selective 5-HT4 receptor agonist: clinical compound TD-2749. |
Bioorg Med Chem Lett 22: 4849-53 (2012) | Theravance, Inc. | 2D 3D TSV |
| 22682919 | 26 | Furin inhibitors: importance of the positive formal charge and beyond. |
Bioorg Med Chem 20: 4462-71 (2012) | Torrey Pines Institute for Molecular Studies | 2D 3D TSV |
| 22682301 | 15 | Structure-activity relationship of 2,2-dimethyl-2H-chromene based arylsulfonamide analogs of 3,4-dimethoxy-N-[(2,2-dimethyl-2H-chromen-6-yl)methyl]-N-phenylbenzenesulfonamide, a novel small molecule hypoxia inducible factor-1 (HIF-1) pathway inhibitor and anti-cancer agent. |
Bioorg Med Chem 20: 4590-7 (2012) | Emory University CSI | 2D 3D TSV |
| 22682300 | 11 | Chalcone inhibitors of the NorA efflux pump in Staphylococcus aureus whole cells and enriched everted membrane vesicles. |
Bioorg Med Chem 20: 4514-21 (2012) | University of Copenhagen | 2D 3D TSV |
| 22680612 | 11 | Synthesis and biological evaluation of an orally active glycosylated endomorphin-1. |
J Med Chem 55: 5859-67 (2012) | The University of Queensland | 2D 3D TSV |
| 22679214 | 13 | Evaluation of P450 inhibition and induction by artemisinin antimalarials in human liver microsomes and primary human hepatocytes. |
Drug Metab Dispos 40: 1757-64 (2012) | University of Washington | 2D 3D TSV |
| 22677529 | 3 | Pyrrolidinobenzoic acid inhibitors of influenza virus neuraminidase: the hydrophobic side chain influences type A subtype selectivity. |
Bioorg Med Chem 20: 4582-9 (2012) | University of Alabama at Birmingham | 2D 3D TSV |
| 22677527 | 38 | Deconstructing 14-phenylpropyloxymetopon: minimal requirements for binding to mu opioid receptors. |
Bioorg Med Chem 20: 4556-63 (2012) | University of Maryland | 2D 3D TSV |
| 22677319 | 64 | Hit-to-lead investigation of a series of novel combined dopamine D2 and muscarinic M1 receptor ligands with putative antipsychotic and pro-cognitive potential. |
Bioorg Med Chem Lett 22: 5134-40 (2012) | H. Lundbeck A/S | 2D 3D TSV |
| 22677318 | 8 | Synthesis of pacidamycin analogues via an Ugi-multicomponent reaction. |
Bioorg Med Chem Lett 22: 4810-5 (2012) | Shionogi & Co., Ltd | 2D 3D TSV |
| 22677317 | 23 | Symmetrical approach of spiro-pyrazolidinediones as acetyl-CoA carboxylase inhibitors. |
Bioorg Med Chem Lett 22: 4769-72 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22677316 | 35 | Identification of spirocyclic piperidine-azetidine inverse agonists of the ghrelin receptor. |
Bioorg Med Chem Lett 22: 4281-7 (2012) | Pfizer Inc | 2D 3D TSV |
| 22677314 | 14 | Xanthine oxidase inhibitory activity of constituents of Cinnamomum cassia twigs. |
Bioorg Med Chem Lett 22: 4625-8 (2012) | National Institute of Medicinal Materials | 2D 3D TSV |
| 22677030 | 29 | New chromene scaffolds for adenosine A(2A) receptors: synthesis, pharmacology and structure-activity relationships. |
Eur J Med Chem 54: 303-10 (2012) | Universidade do Minho | 2D 3D TSV |
| 22676247 | 8 | Synthesis and biological evaluation of 1-benzylidene-3,4-dihydronaphthalen-2-one as a new class of microtubule-targeting agents. |
J Med Chem 55: 5720-33 (2012) | Second Military Medical University | 2D 3D TSV |
| 22676210 | 116 | Design, synthesis, and biological evaluation of novel disubstituted dibenzosuberones as highly potent and selective inhibitors of p38 mitogen activated protein kinase. |
J Med Chem 55: 5868-77 (2012) | Eberhard-Karls University | 2D 3D TSV |
| 22672803 | 57 | Design, synthesis and biological evaluation of novel imidazopyridines as potential antidiabetic GSK3ß inhibitors. |
Bioorg Med Chem Lett 22: 4221-4 (2012) | CrystalGenomics, Inc. | 2D 3D TSV |
| 22672799 | 16 | Potent and selective inhibitors of PI3Kd: obtaining isoform selectivity from the affinity pocket and tryptophan shelf. |
Bioorg Med Chem Lett 22: 4296-302 (2012) | Genentech | 2D 3D TSV |
| 22668600 | 200 | Mono-/dihydroxybenzoic acid esters and phenol pyridinium derivatives as inhibitors of the mammalian carbonic anhydrase isoforms I, II, VII, IX, XII and XIV. |
Bioorg Med Chem 21: 1564-9 (2013) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 22664127 | 19 | Antagonists of 5-HT6 receptors. Substituted 3-(phenylsulfonyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidines and 3-(phenylsulfonyl)pyrazolo[1,5-a]pyrido[4,3-d]pyrimidines-Synthesis and 'structure-activity' relationship. |
Bioorg Med Chem Lett 22: 4273-80 (2012) | Chemical Diversity Research Institute | 2D 3D TSV |
| 22663155 | 2 | Gambogic acid deactivates cytosolic and mitochondrial thioredoxins by covalent binding to the functional domain. |
J Nat Prod 75: 1108-16 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 22662288 | 11 | HIV-1 Integrase Inhibitor-Inspired Antibacterials Targeting Isoprenoid Biosynthesis. |
ACS Med Chem Lett 3: 402-406 (2012) | TBA | 2D 3D TSV |
| 22662287 | 116 | Discovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia. |
ACS Med Chem Lett 3: 129-134 (2012) | TBA | 2D 3D TSV |
| 22659092 | 2 | Role of human UDP-glucuronosyltransferases in the biotransformation of the triazoloacridinone and imidazoacridinone antitumor agents C-1305 and C-1311: highly selective substrates for UGT1A10. |
Drug Metab Dispos 40: 1736-43 (2012) | Gdansk University of Technology | 2D 3D TSV |
| 22658862 | 41 | Discovery of pyrazole carboxylic acids as potent inhibitors of rat long chain L-2-hydroxy acid oxidase. |
Bioorg Med Chem Lett 22: 4341-7 (2012) | Advinus Therapeutics Ltd | 2D 3D TSV |
| 22658558 | 10 | Synthesis and evaluation of novel tropane derivatives as potential PET imaging agents for the dopamine transporter. |
Bioorg Med Chem Lett 22: 4303-6 (2012) | Beijing Normal University | 2D 3D TSV |
| 22658537 | 76 | Natural products as a gold mine for selective matrix metalloproteinases inhibitors. |
Bioorg Med Chem 20: 4164-71 (2012) | East China University of Science and Technology | 2D 3D TSV |
| 22652255 | 50 | C-Aryl 5a-carba-ß-d-glucopyranosides as novel sodium glucose cotransporter 2 (SGLT2) inhibitors for the treatment of type 2 diabetes. |
Bioorg Med Chem 20: 4117-27 (2012) | Chugai Pharmaceutical Co. Ltd | 2D 3D TSV |
| 22652254 | 21 | Beta-carboline alkaloids derived from the ascidian Synoicum sp. |
Bioorg Med Chem 20: 4082-7 (2012) | Seoul National University | 2D 3D TSV |
| 22652225 | 27 | A novel class of small-molecule caspase-3 inhibitors prepared by multicomponent reactions. |
Eur J Med Chem 54: 232-8 (2012) | Southern Medical University | 2D 3D TSV |
| 22652053 | 6 | Syntheses and biological activities of sulfoximine-based acyclic triaryl olefins. |
Bioorg Med Chem Lett 22: 4307-9 (2012) | RWTH Aachen University | 2D 3D TSV |
| 22651858 | 74 | Synthesis and pharmacological evaluation of 2,4-dinitroaryldithiocarbamate derivatives as novel monoacylglycerol lipase inhibitors. |
J Med Chem 55: 5774-83 (2012) | Universit£ Catholique de Louvain | 2D 3D TSV |
| 22651823 | 57 | Diazine indole acetic acids as potent, selective, and orally bioavailable antagonists of chemoattractant receptor homologous molecule expressed on Th2 cells (CRTH2) for the treatment of allergic inflammatory diseases. |
J Med Chem 55: 5088-109 (2012) | Pfizer Inc | 2D 3D TSV |
| 22650618 | 4 | Rediocide A, an Insecticide, induces G-protein-coupled receptor desensitization via activation of conventional protein kinase C. |
J Nat Prod 75: 1058-62 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22650325 | 39 | Small molecule inhibitors of signal transducer and activator of transcription 3 (Stat3) protein. |
J Med Chem 55: 6645-68 (2012) | University of Southern California | 2D 3D TSV |
| 22650305 | 64 | Diphenylpyridylethanamine (DPPE) derivatives as cholesteryl ester transfer protein (CETP) inhibitors. |
J Med Chem 55: 6162-75 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22650177 | 12 | Design and synthesis of a novel series of bicyclic heterocycles as potent¿-secretase modulators. |
J Med Chem 55: 9089-106 (2012) | Janssen Pharmaceutical Companies of Johnson & Johnson L.L.C. | 2D 3D TSV |
| 22647881 | 2 | Substrate analog studies of the ?-regiospecificity of Mycobacterium tuberculosis cholesterol metabolizing cytochrome P450 enzymes CYP124A1, CYP125A1 and CYP142A1. |
Bioorg Med Chem 20: 4064-81 (2012) | University of California San Francisco | 2D 3D TSV |
| 22647721 | 19 | Synthesis and evaluation of pyridylbenzofuran, pyridylbenzothiazole and pyridylbenzoxazole derivatives as ¹?F-PET imaging agents for ?-amyloid plaques. |
Bioorg Med Chem Lett 22: 4332-7 (2012) | AstraZeneca | 2D 3D TSV |
| 22647219 | 1 | Docking, synthesis and pharmacological activity of novel urea-derivatives designed as p38 MAPK inhibitors. |
Eur J Med Chem 54: 264-71 (2012) | Universidade Federal do Rio de Janeiro | 2D 3D TSV |
| 22647217 | 57 | Discovery and structure-activity analysis of selective estrogen receptor modulators via similarity-based virtual screening. |
Eur J Med Chem 54: 188-96 (2012) | East China University of Science and Technology | 2D 3D TSV |
| 22646221 | 11 | Discovery, structure-activity relationship, and biological evaluation of noninhibitory small molecule chaperones of glucocerebrosidase. |
J Med Chem 55: 5734-48 (2012) | National Center for Advancing Translation Sciences | 2D 3D TSV |
| 22645149 | 12 | Novel Anti-inflammatory Activity of Epoxyazadiradione against Macrophage Migration Inhibitory Factor: INHIBITION OF TAUTOMERASE AND PROINFLAMMATORY ACTIVITIES OF MACROPHAGE MIGRATION INHIBITORY FACTOR. |
J Biol Chem 287: 24844-61 (2012) | Council of Scientific and Industrial Research (CSIR) Indian Institute of Chemical Biology | 2D 3D TSV |
| 22645092 | 15 | Selective mechanism-based inactivation of CYP3A4 by CYP3cide (PF-04981517) and its utility as an in vitro tool for delineating the relative roles of CYP3A4 versus CYP3A5 in the metabolism of drugs. |
Drug Metab Dispos 40: 1686-97 (2012) | Pfizer Inc | 2D 3D TSV |
| 22642587 | 2 | Langkolide, a 32-membered macrolactone antibiotic produced by Streptomyces sp. Acta 3062. |
J Nat Prod 75: 1018-24 (2012) | Technische Universit£t Berlin | 2D 3D TSV |
| 22642365 | 62 | Structure-activity relationship study of N6-(2-(4-(1H-Indol-5-yl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine analogues: development of highly selective D3 dopamine receptor agonists along with a highly potent D2/D3 agonist and their pharmacological characterizatio |
J Med Chem 55: 5826-40 (2012) | Wayne State University | 2D 3D TSV |
| 22642319 | 1 | Structural and enzymatic analyses reveal the binding mode of a novel series of Francisella tularensis enoyl reductase (FabI) inhibitors. |
J Med Chem 55: 5933-41 (2012) | University of Illinois at Chicago | 2D 3D TSV |
| 22642300 | 160 | Design, synthesis, and biological activity of a novel series of human sirtuin-2-selective inhibitors. |
J Med Chem 55: 5760-73 (2012) | Kyoto Prefectural University of Medicine | 2D 3D TSV |
| 22642259 | 22 | Design, synthesis, and pharmacological evaluation of glutamate carboxypeptidase II (GCPII) inhibitors based on thioalkylbenzoic acid scaffolds. |
J Med Chem 55: 5922-32 (2012) | Eisai Inc. | 2D 3D TSV |
| 22633833 | 5 | Rational design, synthesis, and pharmacological properties of pyranochalcone derivatives as potent anti-inflammatory agents. |
Eur J Med Chem 54: 272-80 (2012) | Sichuan University | 2D 3D TSV |
| 22633692 | 51 | Fused tricyclic indoles as S1P1 agonists with robust efficacy in animal models of autoimmune disease. |
Bioorg Med Chem Lett 22: 4404-9 (2012) | Arena Pharmaceuticals | 2D 3D TSV |
| 22633691 | 42 | Design, synthesis, and evaluation of indanone derivatives as acetylcholinesterase inhibitors and metal-chelating agents. |
Bioorg Med Chem Lett 22: 4462-6 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22633688 | 30 | Small molecule tertiary amines as agonists of the nuclear hormone receptor Rev-erba. |
Bioorg Med Chem Lett 22: 4413-7 (2012) | The Scripps Research Institute | 2D 3D TSV |
| 22633008 | 4 | Biochemical and pharmacological evaluation of 4-hydroxychromen-2-ones bearing polar C-3 substituents as anticoagulants. |
Eur J Med Chem 54: 144-58 (2012) | University of Kragujevac | 2D 3D TSV |
| 22632936 | 42 | Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. |
Bioorg Med Chem Lett 22: 4377-85 (2012) | Myrexis Inc | 2D 3D TSV |
| 22632934 | 8 | Click chemistry-derived bivalent quinine inhibitors of P-glycoprotein-mediated cellular efflux. |
Bioorg Med Chem Lett 22: 4410-2 (2012) | Purdue University | 2D 3D TSV |
| 22632933 | 65 | Fragment-based discovery of hydroxy-indazole-carboxamides as novel small molecule inhibitors of Hsp90. |
Bioorg Med Chem Lett 22: 4396-403 (2012) | Merck Serono | 2D 3D TSV |
| 22632094 | 26 | Molecular determinants of selectivity and efficacy at the dopamine D3 receptor. |
J Med Chem 55: 6689-99 (2012) | National Institute on Drug Abuse-Intramural Research Program | 2D 3D TSV |
| 22630076 | 38 | Synthesis and anticholinesterase activities of novel 1,3,4-thiadiazole based compounds. |
J Enzyme Inhib Med Chem 28: 816-23 (2013) | University of Life Sciences | 2D 3D TSV |
| 22630073 | 12 | Susceptibility of cord blood antioxidant enzymes glutathione reductase, glutathione peroxidase and glutathione S-transferase to different antibiotics: in vitro approach. |
J Enzyme Inhib Med Chem 28: 824-9 (2013) | Ondokuz Mayis University | 2D 3D TSV |
| 22626654 | 7 | Synthesis, crystal structures and electronic properties of isomers of chloro-pyridinylvinyl-1H-indoles. |
Eur J Med Chem 54: 95-102 (2012) | University of Namur (FUNDP) | 2D 3D TSV |
| 22626552 | 2 | Synthesis and SAR of 4-aminocyclopentapyrrolidines as N-type Ca²¿ channel blockers with analgesic activity. |
Bioorg Med Chem 20: 4128-39 (2012) | Abbott Laboratories | 2D 3D TSV |
| 22626259 | 59 | Discovery of novel PI3-kinased specific inhibitors for the treatment of rheumatoid arthritis: taming CYP3A4 time-dependent inhibition. |
J Med Chem 55: 5887-900 (2012) | Genentech | 2D 3D TSV |
| 22625994 | 28 | Structure-activity studies on the spiroketal moiety of a simplified analogue of debromoaplysiatoxin with antiproliferative activity. |
J Med Chem 55: 5614-26 (2012) | Kyoto University | 2D 3D TSV |
| 22624960 | 1 | AM-8553: a novel MDM2 inhibitor with a promising outlook for potential clinical development. |
J Med Chem 55: 4934-5 (2012) | University of Michigan Comprehensive Cancer Center | 2D 3D TSV |
| 22624880 | 16 | Tacrine-silibinin codrug shows neuro- and hepatoprotective effects in vitro and pro-cognitive and hepatoprotective effects in vivo. |
J Med Chem 55: 5231-42 (2012) | Universit£t Regensburg | 2D 3D TSV |
| 22621689 | 1 | Dual inhibitors for aspartic proteases HIV-1 PR and renin: advancements in AIDS-hypertension-diabetes linkage via molecular dynamics, inhibition assays, and binding free energy calculations. |
J Med Chem 55: 5784-96 (2012) | National Hellenic Research Foundation | 2D 3D TSV |
| 22621623 | 44 | Antimetastatic effect of sulfamate carbonic anhydrase IX inhibitors in breast carcinoma xenografts. |
J Med Chem 55: 5591-600 (2012) | University of Manchester | 2D 3D TSV |
| 22621422 | 2 | ¹²5I-radiolabeled morpholine-containing arginine-glycine-aspartate (RGD) ligand ofavß3 integrin as a molecular imaging probe for angiogenesis. |
J Med Chem 55: 5024-33 (2012) | University of Florence | 2D 3D TSV |
| 22621397 | 39 | Irreversible protein kinase inhibitors: balancing the benefits and risks. |
J Med Chem 55: 6243-62 (2012) | Covalution Pharma BV | 2D 3D TSV |
| 22621375 | 17 | Factors influencing the specificity of inhibitor binding to the human and malaria parasite dihydroorotate dehydrogenases. |
J Med Chem 55: 5841-50 (2012) | University of Leeds | 2D 3D TSV |
| 22617492 | 56 | Disubstituted piperidines as potent orexin (hypocretin) receptor antagonists. |
Bioorg Med Chem Lett 22: 3890-4 (2012) | Scripps Florida | 2D 3D TSV |
| 22617490 | 23 | Synthesis of constrained benzocinnolinone analogues of CEP-26401 (irdabisant) as potent, selective histamine H3 receptor inverse agonists. |
Bioorg Med Chem Lett 22: 4198-202 (2012) | Cephalon Inc | 2D 3D TSV |
| 22616902 | 165 | Rational design of 4-aryl-1,2,3-triazoles for indoleamine 2,3-dioxygenase 1 inhibition. |
J Med Chem 55: 5270-90 (2012) | Ludwig Center for Cancer Research of the University of Lausanne | 2D 3D TSV |
| 22613176 | 1 | Covalent modification and time-dependent inhibition of human CYP2E1 by the meta-isomer of acetaminophen. |
Drug Metab Dispos 40: 1460-5 (2012) | Pacific University Oregon | 2D 3D TSV |
| 22613098 | 3 | Novel Cruzain Inhibitors for the Treatment of Chagas' Disease. |
Chem Biol Drug Des 80: 398-405 (2012) | University of California San Diego | 2D 3D TSV |
| 22612866 | 123 | Protein-ligand crystal structures can guide the design of selective inhibitors of the FGFR tyrosine kinase. |
J Med Chem 55: 5003-12 (2012) | AstraZeneca | 2D 3D TSV |
| 22612268 | 12 | Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect. |
J Med Chem 55: 6094-110 (2012) | Philipps University Marburg | 2D 3D TSV |
| 22608965 | 186 | The discovery of N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3(4H)-yl]benzamide (AZD6703), a clinical p38a MAP kinase inhibitor for the treatment of inflammatory diseases. |
Bioorg Med Chem Lett 22: 3879-83 (2012) | AstraZeneca | 2D 3D TSV |
| 22608963 | 109 | The design and synthesis of novel, potent and orally bioavailable N-aryl piperazine-1-carboxamide CCR2 antagonists with very high hERG selectivity. |
Bioorg Med Chem Lett 22: 3895-9 (2012) | AstraZeneca | 2D 3D TSV |
| 22608962 | 59 | Identification, optimisation and in vivo evaluation of oxadiazole DGAT-1 inhibitors for the treatment of obesity and diabetes. |
Bioorg Med Chem Lett 22: 3873-8 (2012) | AstraZeneca | 2D 3D TSV |
| 22608961 | 46 | Identification of a phenylacylsulfonamide series of dual Bcl-2/Bcl-xL antagonists. |
Bioorg Med Chem Lett 22: 3946-50 (2012) | Bristol-Myers Squibb Research | 2D 3D TSV |
| 22608920 | 4 | Synthesis and evaluation of 11ß-(4-substituted phenyl) estradiol analogs: transition from estrogen receptor agonists to antagonists. |
Bioorg Med Chem 20: 3768-80 (2012) | Northeastern University | 2D 3D TSV |
| 22608919 | 3 | 5-(5-(6-[(11)C]methyl-3,6-diazabicyclo[3.2.0]heptan-3-yl)pyridin-2-yl)-1H-indole as a potential PET radioligand for imaging cerebrala7-nAChR in mice. |
Bioorg Med Chem 20: 3698-702 (2012) | The Johns Hopkins University School of Medicine | 2D 3D TSV |
| 22608762 | 25 | Synthesis and antidepressant activity of arylalkanol-piperidine derivatives as triple reuptake inhibitors. |
Eur J Med Chem 54: 123-36 (2012) | Shanghai Institute of Pharmaceutical Industry | 2D 3D TSV |
| 22608393 | 64 | Pyrazole and pyrimidine phenylacylsulfonamides as dual Bcl-2/Bcl-xL antagonists. |
Bioorg Med Chem Lett 22: 3951-6 (2012) | Bristol-Myers Squibb Research | 2D 3D TSV |
| 22608391 | 12 | Towards a KCC2 blocker pharmacophore model. |
Bioorg Med Chem Lett 22: 3978-82 (2012) | UCB Pharma SA | 2D 3D TSV |
| 22607880 | 54 | Identification of novel benzimidazole derivatives as inhibitors of leukotriene biosynthesis by virtual screening targeting 5-lipoxygenase-activating protein (FLAP). |
Bioorg Med Chem 20: 3728-41 (2012) | Gazi University | 2D 3D TSV |
| 22607877 | 38 | Design, synthesis and biological evaluation of novel amino acid ureido derivatives as aminopeptidase N/CD13 inhibitors. |
Bioorg Med Chem 20: 3807-15 (2012) | Shandong University | 2D 3D TSV |
| 22607697 | 1 | Implications of binding mode and active site flexibility for inhibitor potency against the salicylate synthase from Mycobacterium tuberculosis. |
Biochemistry 51: 4868-79 (2012) | The University of Auckland | 2D 3D TSV |
| 22607684 | 50 | 7-Azabicyclo[2.2.1]heptane as a scaffold for the development of selective sigma-2 (s2) receptor ligands. |
Bioorg Med Chem Lett 22: 4059-63 (2012) | The University of Sydney | 2D 3D TSV |
| 22607683 | 19 | 5-Cyano-6-oxo-1,6-dihydro-pyrimidines as potent antagonists targeting exchange proteins directly activated by cAMP. |
Bioorg Med Chem Lett 22: 4038-43 (2012) | University of Texas Medical Branch | 2D 3D TSV |
| 22607682 | 47 | Sulfonyl-morpholino-pyrimidines: SAR and development of a novel class of selective mTOR kinase inhibitor. |
Bioorg Med Chem Lett 22: 4163-8 (2012) | AstraZeneca | 2D 3D TSV |
| 22607677 | 8 | Identification of chalcones as potent and selective PDE5A1 inhibitors. |
Bioorg Med Chem Lett 22: 3983-7 (2012) | Youai Co., Ltd | 2D 3D TSV |
| 22607676 | 47 | Synthesis and SAR of selective small molecule neuropeptide Y Y2 receptor antagonists. |
Bioorg Med Chem Lett 22: 3916-20 (2012) | The Scripps Research Institute | 2D 3D TSV |
| 22607675 | 28 | Development of a series of 3-hydroxyquinolin-2(1H)-ones as selective inhibitors of HIV-1 reverse transcriptase associated RNase H activity. |
Bioorg Med Chem Lett 22: 3988-92 (2012) | University of Lille | 2D 3D TSV |
| 22607673 | 34 | Development of a novel, CNS-penetrant, metabotropic glutamate receptor 3 (mGlu3) NAM probe (ML289) derived from a closely related mGlu5 PAM. |
Bioorg Med Chem Lett 22: 3921-5 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
| 22607672 | 28 | MK-8825: a potent and selective CGRP receptor antagonist with good oral activity in rats. |
Bioorg Med Chem Lett 22: 3941-5 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22607670 | 34 | Interactions of N-{[2-(4-phenyl-piperazin-1-yl)-ethyl]-phenyl}-2-aryl-2-yl-acetamides and 1-{[2-(4-phenyl-piperazin-1-yl)-ethyl]-phenyl}-3-aryl-2-yl-ureas with dopamine D2 and 5-hydroxytryptamine 5HT(1A) receptors. |
Bioorg Med Chem Lett 22: 3967-72 (2012) | University of Belgrade | 2D 3D TSV |
| 22607669 | 45 | Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors. |
Bioorg Med Chem Lett 22: 4033-7 (2012) | Biogen Idec Inc | 2D 3D TSV |
| 22607668 | 66 | N-Methyl-3-(tetrahydro-2H-pyran-4-yl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamides as a novel class of cannabinoid receptors agonists with low CNS penetration. |
Bioorg Med Chem Lett 22: 3884-9 (2012) | AstraZeneca | 2D 3D TSV |
| 22607231 | 1 | Natural product-derived antitumor compound phenethyl isothiocyanate inhibits mTORC1 activity via TSC2. |
J Nat Prod 75: 1051-7 (2012) | University of Southampton Faculty of Medicine | 2D 3D TSV |
| 22607152 | 7 | Kallikrein protease activated receptor (PAR) axis: an attractive target for drug development. |
J Med Chem 55: 6669-86 (2012) | Universit£ degli Studi di Napoli Federico II | 2D 3D TSV |
| 22607122 | 38 | Discovery of highly potent human deoxyuridine triphosphatase inhibitors based on the conformation restriction strategy. |
J Med Chem 55: 5483-96 (2012) | Taiho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22606365 | 5 | Non-iminosugar glucocerebrosidase small molecule chaperones. |
Medchemcomm 3: 56-60 (2012) | National Human Genome Research Institute | 2D 3D TSV |
| 22595177 | 14 | Discovery of novel EGFR tyrosine kinase inhibitors by structure-based virtual screening. |
Bioorg Med Chem Lett 22: 4004-9 (2012) | East China University of Science and Technology | 2D 3D TSV |
| 22595176 | 31 | Discovery and optimization of a potent and selective triazolopyridinone series of c-Met inhibitors. |
Bioorg Med Chem Lett 22: 4089-93 (2012) | Amgen Inc | 2D 3D TSV |
| 22595175 | 18 | N-Acyl and N-sulfonyloxazolidine-2,4-diones are pseudo-irreversible inhibitors of serine proteases. |
Bioorg Med Chem Lett 22: 3993-7 (2012) | University of Lisbon | 2D 3D TSV |
| 22595174 | 9 | Pre-steady state kinetic analysis of cyclobutyl derivatives of 2'-deoxyadenosine 5'-triphosphate as inhibitors of HIV-1 reverse transcriptase. |
Bioorg Med Chem Lett 22: 4064-7 (2012) | Yale University | 2D 3D TSV |
| 22595173 | 68 | The discovery and development of selective 3-fluoro-4-aryloxyallylamine inhibitors of the amine oxidase activity of semicarbazide-sensitive amine oxidase/vascular adhesion protein-1 (SSAO/VAP-1). |
Bioorg Med Chem Lett 22: 3935-40 (2012) | Pharmaxis Ltd. | 2D 3D TSV |
| 22594690 | 80 | A selective, orally bioavailable 1,2,4-triazolo[1,5-a]pyridine-based inhibitor of Janus kinase 2 for use in anticancer therapy: discovery of CEP-33779. |
J Med Chem 55: 5243-54 (2012) | Cephalon Inc | 2D 3D TSV |
| 22594609 | 30 | Structure-activity relationship study of selective excitatory amino acid transporter subtype 1 (EAAT1) inhibitor 2-amino-4-(4-methoxyphenyl)-7-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (UCPH-101) and absolute configurational assignment using infrared and vibrational circ |
J Med Chem 55: 5403-12 (2012) | University of Copenhagen | 2D 3D TSV |
| 22593037 | 8 | Potent inhibition of human sulfotransferase 1A1 by 17a-ethinylestradiol: role of 3'-phosphoadenosine 5'-phosphosulfate binding and structural rearrangements in regulating inhibition and activity. |
Drug Metab Dispos 40: 1588-95 (2012) | University of Alabama at Birmingham | 2D 3D TSV |
| 22591730 | 22 | Thieno[3,2-d]pyrimidin-4(3H)-one derivatives as PDK1 inhibitors discovered by fragment-based screening. |
Bioorg Med Chem Lett 22: 4023-7 (2012) | S*BIO Pte Ltd | 2D 3D TSV |
| 22591648 | 78 | Evaluation of synthetic acridones and 4-quinolinones as potent inhibitors of cathepsins L and V. |
Eur J Med Chem 54: 10-21 (2012) | Universidade Federal de S£o Carlos | 2D 3D TSV |
| 22591441 | 29 | Discovery of selective LRRK2 inhibitors guided by computational analysis and molecular modeling. |
J Med Chem 55: 5536-45 (2012) | Genentech | 2D 3D TSV |
| 22591402 | 127 | Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors. |
J Med Chem 55: 5901-21 (2012) | Argenta Discovery Ltd | 2D 3D TSV |
| 22591317 | 5 | Impacts of some antibiotics on human serum paraoxonase 1 activity. |
J Enzyme Inhib Med Chem 28: 758-64 (2013) | Atatürk University | 2D 3D TSV |
| 22591063 | 12 | Synthesis and nicotinic receptor activity of chemical space analogues of N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chlorobenzamide (PNU-282,987) and 1,4-diazabicyclo[3.2.2]nonane-4-carboxylic acid 4-bromophenyl ester (SSR180711). |
J Med Chem 55: 4605-18 (2012) | University of Berne | 2D 3D TSV |
| 22589534 | 28 | Discovery of a Novel Allosteric Modulator of 5-HT3 Receptors: INHIBITION AND POTENTIATION OF CYS-LOOP RECEPTOR SIGNALING THROUGH A CONSERVED TRANSMEMBRANE INTERSUBUNIT SITE. |
J Biol Chem 287: 25241-54 (2012) | University of Copenhagen | 2D 3D TSV |
| 22587986 | 26 | The development, characterization, and application of an OATP1B1 inhibition assay in drug discovery. |
Drug Metab Dispos 40: 1641-8 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22587443 | 55 | Synthesis and structure-activity relationships of pyrazolo[1,5-a]pyridine derivatives: potent and orally active antagonists of corticotropin-releasing factor 1 receptor. |
J Med Chem 55: 5255-69 (2012) | Eisai Co., Ltd | 2D 3D TSV |
| 22583779 | 6 | Synthesis, in vitro and in silico screening of ethyl 2-(6-substituted benzo[d]thiazol-2-ylamino)-2-oxoacetates as protein-tyrosine phosphatase 1B inhibitors. |
Eur J Med Chem 53: 346-55 (2012) | Universidad Aut£noma del Estado de Morelos | 2D 3D TSV |
| 22583669 | 1 | Synthesis, biological evaluation and 3D-QSAR studies of novel 4,5-dihydro-1H-pyrazole niacinamide derivatives as BRAF inhibitors. |
Bioorg Med Chem 20: 3746-55 (2012) | Nanjing University | 2D 3D TSV |
| 22583618 | 8 | Kappa agonist CovX-Bodies. |
Bioorg Med Chem Lett 22: 4173-8 (2012) | Pfizer Inc | 2D 3D TSV |
| 22583617 | 12 | E297G mutated bile salt export pump (BSEP) function enhancers derived from GW4064: structural development study and separation from farnesoid X receptor-agonistic activity. |
Bioorg Med Chem Lett 22: 3962-6 (2012) | The University of Tokyo | 2D 3D TSV |
| 22583616 | 67 | Identification of benzoxazole analogs as novel, S1P(3) sparing S1P(1) agonists. |
Bioorg Med Chem Lett 22: 3973-7 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22583019 | 6 | Substrates for efficient fluorometric screening employing the NAD-dependent sirtuin 5 lysine deacylase (KDAC) enzyme. |
J Med Chem 55: 5582-90 (2012) | Technical University of Denmark | 2D 3D TSV |
| 22582973 | 21 | Integrated virtual screening for the identification of novel and selective peroxisome proliferator-activated receptor (PPAR) scaffolds. |
J Med Chem 55: 4978-89 (2012) | Trinity College | 2D 3D TSV |
| 22582136 | 8 | Hydrophobic Interactions Improve Selectivity to ERa for Ben-zothiophene SERMs. |
ACS Med Chem Lett 3: 207-210 (2012) | TBA | 2D 3D TSV |
| 22579620 | 36 | Inhibition of thioredoxin reductase by a novel series of bis-1,2-benzisoselenazol-3(2H)-ones: Organoselenium compounds for cancer therapy. |
Bioorg Med Chem 20: 3816-27 (2012) | Peking University | 2D 3D TSV |
| 22579615 | 19 | Synthesis and evaluation of boronic acids as inhibitors of Penicillin Binding Proteins of classes A, B and C. |
Bioorg Med Chem 20: 3915-24 (2012) | Universit£ de Li£ge | 2D 3D TSV |
| 22579487 | 53 | Synthesis and structure-activity relationship of aminopyridines with substituted benzoxazoles as c-Met kinase inhibitors. |
Bioorg Med Chem Lett 22: 4044-8 (2012) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 22579486 | 80 | Acylprolinamides: a new class of peptide deformylase inhibitors with in vivo antibacterial activity. |
Bioorg Med Chem Lett 22: 4028-32 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22579484 | 6 | Ethyl 2,4,6-trihydroxybenzoate is an agonistic ligand for liver X receptor that induces cholesterol efflux from macrophages without affecting lipid accumulation in HepG2 cells. |
Bioorg Med Chem Lett 22: 4094-9 (2012) | Korea University | 2D 3D TSV |
| 22579422 | 31 | Structure-activity relationships of trimethoxybenzyl piperazine N-type calcium channel inhibitors. |
Bioorg Med Chem Lett 22: 4153-8 (2012) | Zalicus Pharmaceuticals Ltd | 2D 3D TSV |
| 22579420 | 45 | Total synthesis and dual PPARa/¿ agonist effects of amorphastilbol and its synthetic derivatives. |
Bioorg Med Chem Lett 22: 4122-6 (2012) | Korea Institute of Science and Technology | 2D 3D TSV |
| 22579419 | 23 | Depigmenting activities of kojic acid derivatives without tyrosinase inhibitory activities. |
Bioorg Med Chem Lett 22: 4159-62 (2012) | Hanyang University | 2D 3D TSV |
| 22578786 | 40 | Microwave assisted synthesis of spirocyclic pyrrolidines -s1 receptor ligands with modified benzene-N-distance. |
Eur J Med Chem 53: 327-36 (2012) | Institut f£r Pharmazeutische und Medizinische Chemie | 2D 3D TSV |
| 22578490 | 35 | Synthesis and evaluation of 4- and 5-pyridazin-3-one phenoxypropylamine analogues as histamine-3 receptor antagonists. |
Bioorg Med Chem 20: 3880-6 (2012) | Cephalon Inc | 2D 3D TSV |
| 22578460 | 4 | Identification of blapsins A and B as potent small-molecule 14-3-3 inhibitors from the insect Blaps japanensis. |
Bioorg Med Chem Lett 22: 4179-81 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22578458 | 84 | Evaluation of endo- and exo-aryl-substitutions and central scaffold modifications on diphenyl substituted alkanes as 5-lipoxygenase activating protein inhibitors. |
Bioorg Med Chem Lett 22: 4133-8 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22575869 | 61 | Structure-activity relationship of a series of non peptidic RGD integrin antagonists targetinga5ß1: part 1. |
Bioorg Med Chem Lett 22: 4111-6 (2012) | AstraZeneca | 2D 3D TSV |
| 22575532 | 2 | Chiral resolution, absolute configuration assignment and biological activity of racemic diarylpyrimidine CH(OH)-DAPY as potent nonnucleoside HIV-1 reverse transcriptase inhibitors. |
Eur J Med Chem 53: 229-34 (2012) | Fudan University | 2D 3D TSV |
| 22575050 | 40 | Design, synthesis, and evaluation of 3,5-disubstituted 7-azaindoles as Trk inhibitors with anticancer and antiangiogenic activities. |
J Med Chem 55: 5337-49 (2012) | Korea Advanced Institute of Science and Technology (KAIST) | 2D 3D TSV |
| 22575017 | 1 | Antitumor agent calixarene 0118 targets human galectin-1 as an allosteric inhibitor of carbohydrate binding. |
J Med Chem 55: 5121-9 (2012) | University of Minnesota Health Sciences Center | 2D 3D TSV |
| 22574973 | 36 | Identification of a crucial amino acid in the helix position 6.51 of human tachykinin neurokinin 1 and 3 receptors contributing to the insurmountable mode of antagonism by dual NK1/NK3 antagonists. |
J Med Chem 55: 5061-76 (2012) | F. Hoffmann-La Roche Inc | 2D 3D TSV |
| 22572583 | 49 | Structure guided P1' modifications of HEA derivedß-secretase inhibitors for the treatment of Alzheimer's disease. |
Bioorg Med Chem Lett 22: 3607-11 (2012) | Envoy Therapeutics | 2D 3D TSV |
| 22572580 | 26 | Synthesis, biological evaluation, and molecular docking studies of N,1,3-triphenyl-1H-pyrazole-4-carboxamide derivatives as anticancer agents. |
Bioorg Med Chem Lett 22: 3589-93 (2012) | Nanjing University | 2D 3D TSV |
| 22572579 | 38 | Thieno[3,2-b]thiophene-2-carboxylic acid derivatives as GPR35 agonists. |
Bioorg Med Chem Lett 22: 4148-52 (2012) | Corning Inc. | 2D 3D TSV |
| 22572578 | 124 | Structure-activity relationship of a series of non peptidic RGD integrin antagonists targetinga5ß1: part 2. |
Bioorg Med Chem Lett 22: 4117-21 (2012) | AstraZeneca | 2D 3D TSV |
| 22571451 | 46 | Indole-2-carboxamides as allosteric modulators of the cannabinoid CB1 receptor. |
J Med Chem 55: 5627-31 (2012) | Sapienza University of Rome | 2D 3D TSV |
| 22570300 | 3 | Peptoid-Peptide hybrid ligands targeting the polo box domain of polo-like kinase 1. |
Chembiochem 13: 1291-6 (2012) | Frederick National Laboratory for Cancer Research | 2D 3D TSV |
| 22568637 | 158 | Water-soluble pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidines as human A3 adenosine receptor antagonists. |
J Med Chem 55: 5380-90 (2012) | Universit£ di Ferrara | 2D 3D TSV |
| 22564381 | 27 | Pyrazole[3,4-e][1,4]thiazepin-7-one derivatives as a novel class of Farnesoid X Receptor (FXR) agonists. |
Bioorg Med Chem 20: 3429-45 (2012) | Universit£ di Perugia | 2D 3D TSV |
| 22564380 | 624 | Activity landscape modeling of PPAR ligands with dual-activity difference maps. |
Bioorg Med Chem 20: 3523-32 (2012) | Universidad Nacional Aut£noma de M£xico | 2D 3D TSV |
| 22564207 | 44 | Discovery of an orally efficacious inhibitor of anaplastic lymphoma kinase. |
J Med Chem 55: 4580-93 (2012) | Cephalon Inc | 2D 3D TSV |
| 22563729 | 80 | Discovery of the first irreversible small molecule inhibitors of the interaction between the vitamin D receptor and coactivators. |
J Med Chem 55: 4640-51 (2012) | University of Wisconsin-Milwaukee | 2D 3D TSV |
| 22563707 | 27 | A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design. |
J Med Chem 55: 5311-25 (2012) | Radboud University Nijmegen Medical Centre | 2D 3D TSV |
| 22560838 | 7 | Radiosynthesis of a¹8F-labeled 2,3-diarylsubstituted indole via McMurry coupling for functional characterization of cyclooxygenase-2 (COX-2) in vitro and in vivo. |
Bioorg Med Chem 20: 3410-21 (2012) | Helmholtz-Zentrum Dresden-Rossendorf | 2D 3D TSV |
| 22560627 | 70 | 2-Anilino-4-(benzimidazol-2-yl)pyrimidines--a multikinase inhibitor scaffold with antiproliferative activity toward cancer cell lines. |
Eur J Med Chem 53: 254-63 (2012) | Technische Universit£t Braunschweig | 2D 3D TSV |
| 22560585 | 16 | Discovery and evaluation of selective N-type calcium channel blockers: 6-unsubstituted-1,4-dihydropyridine-5-carboxylic acid derivatives. |
Bioorg Med Chem Lett 22: 3639-42 (2012) | Ajinomoto Pharmaceuticals Co. Ltd | 2D 3D TSV |
| 22560583 | 48 | Design, synthesis, and structure-activity relationships of novel spiro-piperidines as acetyl-CoA carboxylase inhibitors. |
Bioorg Med Chem Lett 22: 3643-7 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22560567 | 82 | Discovery of XL413, a potent and selective CDC7 inhibitor. |
Bioorg Med Chem Lett 22: 3727-31 (2012) | Exelixis Inc | 2D 3D TSV |
| 22560473 | 16 | Design, synthesis and biological evaluation of potent NAD+-dependent DNA ligase inhibitors as potential antibacterial agents. Part I: aminoalkoxypyrimidine carboxamides. |
Bioorg Med Chem Lett 22: 3693-8 (2012) | Vertex Pharmaceuticals Inc | 2D 3D TSV |
| 22560471 | 10 | Use of libraries to access new chemical space: applications to CRTH2. |
Bioorg Med Chem Lett 22: 3682-7 (2012) | Pfizer Inc | 2D 3D TSV |
| 22560469 | 25 | Synthesis and SAR of tetrahydroisoquinolines as Rev-erba agonists. |
Bioorg Med Chem Lett 22: 3739-42 (2012) | The Scripps Research Institute | 2D 3D TSV |
| 22559926 | 6 | Preparation of 3-substituted-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amines as RET kinase inhibitors. |
J Med Chem 55: 4872-6 (2012) | University of Gothenburg | 2D 3D TSV |
| 22559880 | 52 | Structure-guided design of A(3) adenosine receptor-selective nucleosides: combination of 2-arylethynyl and bicyclo[3.1.0]hexane substitutions. |
J Med Chem 55: 4847-60 (2012) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 22554495 | 10 | Synthesis and in vitro characterization of trans- and cis-[(18)F]-4-methylbenzyl 4-[(pyrimidin-2-ylamino)methyl]-3-fluoropiperidine-1-carboxylates as new potential PET radiotracer candidates for the NR2B subtype N-methyl-D-aspartate receptor. |
Eur J Med Chem 53: 408-15 (2012) | Institute of Biomedical Imaging (I2BM) | 2D 3D TSV |
| 22554206 | 33 | Discovery of pyrroloaminopyrazoles as novel PAK inhibitors. |
J Med Chem 55: 4728-39 (2012) | Pfizer Inc | 2D 3D TSV |
| 22552196 | 17 | Novel diamide insecticides: sulfoximines, sulfonimidamides and other new sulfonimidoyl derivatives. |
Bioorg Med Chem Lett 22: 3800-6 (2012) | Syngenta Crop Protection Muenchwilen AG | 2D 3D TSV |
| 22552195 | 34 | Xanthones from Polygala karensium inhibit neuraminidases from influenza A viruses. |
Bioorg Med Chem Lett 22: 3688-92 (2012) | Chosun University | 2D 3D TSV |
| 22552008 | 7 | Cereblon is a direct protein target for immunomodulatory and antiproliferative activities of lenalidomide and pomalidomide. |
Leukemia 26: 2326-35 (2012) | Celgene | 2D 3D TSV |
| 22551631 | 18 | Automated generation of turn mimetics: proof of concept study for the MC4 receptor. |
Bioorg Med Chem 20: 3565-74 (2012) | Neurocrine Biosciences Inc | 2D 3D TSV |
| 22551629 | 72 | Synthesis and biological evaluation of a class of 5-benzylidene-2-phenyl-thiazolinones as potent 5-lipoxygenase inhibitors. |
Bioorg Med Chem 20: 3575-83 (2012) | ZAFES/LiFF/OSF Goethe-University Frankfurt | 2D 3D TSV |
| 22551018 | 68 | Discovery of checkpoint kinase inhibitor (S)-5-(3-fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by structure-based design and optimization of thiophenecarboxamide ureas. |
J Med Chem 55: 5130-42 (2012) | AstraZeneca | 2D 3D TSV |
| 22548457 | 60 | Design, synthesis, and pharmacological characterization of indol-3-ylacetamides, indol-3-yloxoacetamides, and indol-3-ylcarboxamides: potent and selective CB2 cannabinoid receptor inverse agonists. |
J Med Chem 55: 5391-402 (2012) | Universit£ degli Studi di Siena | 2D 3D TSV |
| 22548439 | 9 | Rapid identification of a novel small molecule phosphodiesterase 10A (PDE10A) tracer. |
J Med Chem 55: 4776-87 (2012) | Amgen Inc | 2D 3D TSV |
| 22548365 | 293 | Structure-based design of a novel series of potent, selective inhibitors of the class I phosphatidylinositol 3-kinases. |
J Med Chem 55: 5188-219 (2012) | Amgen Inc | 2D 3D TSV |
| 22548342 | 210 | Discovery of a novel series of potent and orally bioavailable phosphoinositide 3-kinase¿ inhibitors. |
J Med Chem 55: 5467-82 (2012) | Exelixis Inc | 2D 3D TSV |
| 22546675 | 24 | Wake promoting agents: search for next generation modafinil, lessons learned: part III. |
Bioorg Med Chem Lett 22: 3751-3 (2012) | Cephalon Inc | 2D 3D TSV |
| 22546671 | 9 | Investigation of the binding pocket of human hematopoietic prostaglandin (PG) D2 synthase (hH-PGDS): a tale of two waters. |
Bioorg Med Chem Lett 22: 3795-9 (2012) | Pfizer Inc | 2D 3D TSV |
| 22546668 | 30 | Structure-activity relationships and molecular modeling of the N-(3-pivaloyloxy-2-benzylpropyl)-N'-[4-(methylsulfonylamino)benzyl] thiourea template for TRPV1 antagonism. |
Bioorg Med Chem Lett 22: 3656-60 (2012) | Seoul National University | 2D 3D TSV |
| 22546206 | 162 | Synthesis and evaluation of¿-lactam analogs of PGE2 as EP4 and EP2/EP4 agonists. |
Bioorg Med Chem 20: 3502-22 (2012) | Minase Research Institute | 2D 3D TSV |
| 22546204 | 9 | Recent developments and biological activities of thiazolidinone derivatives: a review. |
Bioorg Med Chem 20: 3378-95 (2012) | Dr. Hari Singh Gour University | 2D 3D TSV |
| 22545941 | 14 | Design, synthesis and biological evaluation of novel L-isoserine tripeptide derivatives as aminopeptidase N inhibitors. |
J Enzyme Inhib Med Chem 28: 717-26 (2013) | Shandong University | 2D 3D TSV |
| 22545939 | 5 | Synthesis, activity evaluation, and docking analysis of barbituric acid aryl hydrazone derivatives as RSK2 inhibitors. |
J Enzyme Inhib Med Chem 28: 747-52 (2013) | East China University of Science and Technology | 2D 3D TSV |
| 22545924 | 44 | Targeting GSK3 from Ustilago maydis: Type-II Kinase Inhibitors as Potential Antifungals. |
ACS Chem Biol 7: 1257-67 (2012) | Technische Universität Dortmund | 2D 3D TSV |
| 22545772 | 100 | Use of small-molecule crystal structures to address solubility in a novel series of G protein coupled receptor 119 agonists: optimization of a lead and in vivo evaluation. |
J Med Chem 55: 5361-79 (2012) | AstraZeneca | 2D 3D TSV |
| 22543028 | 39 | Design and synthesis of new tetrahydroquinolines derivatives as CETP inhibitors. |
Bioorg Med Chem Lett 22: 3671-5 (2012) | Eli Lilly and Company | 2D 3D TSV |
| 22543026 | 6 | Kinase inhibitory potencies and in vitro antiproliferative activities of N-10 substituted pyrrolo[2,3-a]carbazole derivatives. |
Bioorg Med Chem Lett 22: 3807-9 (2012) | Clermont Universit£ | 2D 3D TSV |
| 22542283 | 2 | Lipophilic amines as potent inhibitors of N-acylethanolamine-hydrolyzing acid amidase. |
Bioorg Med Chem 20: 3658-65 (2012) | Kobe Pharmaceutical University | 2D 3D TSV |
| 22542282 | 25 | Discovery of novel indane derivatives as liver-selective thyroid hormone receptorß (TRß) agonists for the treatment of dyslipidemia. |
Bioorg Med Chem 20: 3622-34 (2012) | Kissei Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22542194 | 22 | Discovery of a series of 2-(1H-pyrazol-1-yl)pyridines as ALK5 inhibitors with potential utility in the prevention of dermal scarring. |
Bioorg Med Chem Lett 22: 3392-7 (2012) | Pfizer Inc | 2D 3D TSV |
| 22542107 | 14 | Synthesis and molecular modelling studies of novel carbapeptide analogs for inhibition of HIV-1 protease. |
Eur J Med Chem 53: 13-21 (2012) | University of KwaZulu-Natal | 2D 3D TSV |
| 22542019 | 44 | Reexamining hydroxamate inhibitors of botulinum neurotoxin serotype A: extending towards theß-exosite. |
Bioorg Med Chem Lett 22: 3754-7 (2012) | Fox Chase Chemical Diversity Center | 2D 3D TSV |
| 22542012 | 155 | The design, synthesis, and biological evaluation of PIM kinase inhibitors. |
Bioorg Med Chem Lett 22: 3732-8 (2012) | Exelixis Inc | 2D 3D TSV |
| 22542010 | 31 | Discovery of a novel melanin concentrating hormone receptor 1 (MCHR1) antagonist with reduced hERG inhibition. |
Bioorg Med Chem Lett 22: 3781-5 (2012) | Amgen Inc | 2D 3D TSV |
| 22542009 | 102 | Discovery and optimization of benzenesulfonanilide derivatives as a novel class of 11ß-HSD1 inhibitors. |
Bioorg Med Chem Lett 22: 3786-90 (2012) | Amgen Inc | 2D 3D TSV |
| 22541394 | 30 | Appraisal of GABA and PABA as linker: design and synthesis of novel benzamide based histone deacetylase inhibitors. |
Eur J Med Chem 53: 390-7 (2012) | Guru Ghasidas University | 2D 3D TSV |
| 22541393 | 1 | A variant peptide of buffalo colostrumß-lactoglobulin inhibits angiotensin I-converting enzyme activity. |
Eur J Med Chem 53: 211-9 (2012) | University of Mysore | 2D 3D TSV |
| 22541068 | 73 | Classification of inhibitors of hepatic organic anion transporting polypeptides (OATPs): influence of protein expression on drug-drug interactions. |
J Med Chem 55: 4740-63 (2012) | Uppsala University | 2D 3D TSV |
| 22541041 | 84 | Development of LC-MS/MS-based receptor occupancy tracers and positron emission tomography radioligands for the nociceptin/orphanin FQ (NOP) receptor. |
J Med Chem 55: 4955-67 (2012) | Eli Lilly and Company | 2D 3D TSV |
| 22540974 | 67 | A new class of highly potent matrix metalloproteinase inhibitors based on triazole-substituted hydroxamates: (radio)synthesis and in vitro and first in vivo evaluation. |
J Med Chem 55: 4714-27 (2012) | University Hospital M£nster | 2D 3D TSV |
| 22540945 | 19 | Rational evolution of a novel type of potent and selective proviral integration site in Moloney murine leukemia virus kinase 1 (PIM1) inhibitor from a screening-hit compound. |
J Med Chem 55: 5151-64 (2012) | The University of Tokyo | 2D 3D TSV |
| 22537682 | 6 | Inverse Virtual Screening allows the discovery of the biological activity of natural compounds. |
Bioorg Med Chem 20: 3596-602 (2012) | Universit£ di Salerno | 2D 3D TSV |
| 22537678 | 8 | 3-Deoxy-3,4-dehydro analogs of XM462. Preparation and activity on sphingolipid metabolism and cell fate. |
Bioorg Med Chem 20: 3173-9 (2012) | Institute for Advanced Chemistry of Catalonia | 2D 3D TSV |
| 22537450 | 54 | Discovery of cariprazine (RGH-188): a novel antipsychotic acting on dopamine D3/D2 receptors. |
Bioorg Med Chem Lett 22: 3437-40 (2012) | Gedeon Richter Plc | 2D 3D TSV |
| 22537178 | 5 | Charting, navigating, and populating natural product chemical space for drug discovery. |
J Med Chem 55: 5989-6001 (2012) | Max Planck Institute of Molecular Physiology | 2D 3D TSV |
| 22537153 | 10 | Chemocentric informatics approach to drug discovery: identification and experimental validation of selective estrogen receptor modulators as ligands of 5-hydroxytryptamine-6 receptors and as potential cognition enhancers. |
J Med Chem 55: 5704-19 (2012) | University of North Carolina at Chapel Hill | 2D 3D TSV |
| 22537109 | 25 | Identification of a novel family of BRAF(V600E) inhibitors. |
J Med Chem 55: 5220-30 (2012) | University of Pennsylvania | 2D 3D TSV |
| 22536986 | 12 | Analogues of fenarimol are potent inhibitors of Trypanosoma cruzi and are efficacious in a murine model of Chagas disease. |
J Med Chem 55: 4189-204 (2012) | Epichem Pty Ltd | 2D 3D TSV |
| 22536944 | 91 | Synthesis and biological evaluation of the first dual tyrosyl-DNA phosphodiesterase I (Tdp1)-topoisomerase I (Top1) inhibitors. |
J Med Chem 55: 4457-78 (2012) | Purdue University | 2D 3D TSV |
| 22534450 | 36 | The discovery of potent and selective pyridopyrimidin-7-one based inhibitors of B-RafV600E kinase. |
Bioorg Med Chem Lett 22: 3387-91 (2012) | Array BioPharma, Inc. | 2D 3D TSV |
| 22534184 | 87 | Discovery, design and synthesis of Y-shaped peroxisome proliferator-activated receptord agonists as potent anti-obesity agents in vivo. |
Eur J Med Chem 53: 190-202 (2012) | Seoul National University | 2D 3D TSV |
| 22533986 | 181 | Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors. |
J Med Chem 55: 5291-310 (2012) | ArQule Inc | 2D 3D TSV |
| 22533905 | 2 | Chalcogenopyrylium compounds as modulators of the ATP-binding cassette transporters P-glycoprotein (P-gp/ABCB1) and multidrug resistance protein 1 (MRP1/ABCC1). |
J Med Chem 55: 4683-99 (2012) | The State University of New York | 2D 3D TSV |
| 22533875 | 11 | Mitigating heterocycle metabolism in drug discovery. |
J Med Chem 55: 6002-20 (2012) | Amgen Inc | 2D 3D TSV |
| 22533818 | 84 | Identification of glycogen synthase kinase-3 inhibitors with a selective sting for glycogen synthase kinase-3a. |
J Med Chem 55: 4407-24 (2012) | Technische Universit£t Darmstadt | 2D 3D TSV |
| 22533316 | 10 | Cytotoxic effects of combination of oxidosqualene cyclase inhibitors with atorvastatin in human cancer cells. |
J Med Chem 55: 4990-5002 (2012) | Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL) | 2D 3D TSV |
| 22531045 | 2 | In vitro hepatotoxicity and cytochrome P450 induction and inhibition characteristics of carnosic acid, a dietary supplement with antiadipogenic properties. |
Drug Metab Dispos 40: 1263-7 (2012) | Amgen Inc | 2D 3D TSV |
| 22525315 | 1 | Ianthellamide A, a selective kynurenine-3-hydroxylase inhibitor from the Australian marine sponge Ianthella quadrangulata. |
Bioorg Med Chem Lett 22: 3398-401 (2012) | Griffith University | 2D 3D TSV |
| 22525314 | 159 | Acylated Gly-(2-cyano)pyrrolidines as inhibitors of fibroblast activation protein (FAP) and the issue of FAP/prolyl oligopeptidase (PREP)-selectivity. |
Bioorg Med Chem Lett 22: 3412-7 (2012) | University of Antwerp (UA) | 2D 3D TSV |
| 22525313 | 30 | Tetrahydro-naphthols as orally available TRPV1 inhibitors. |
Bioorg Med Chem Lett 22: 3408-11 (2012) | Bayer Yakuhin, Ltd | 2D 3D TSV |
| 22524677 | 6 | Interaction of superoxide dismutase with the glycine zipper regions of ß-amyloid peptides: is there an implication towards Alzheimer's disease and oxidative stress? |
J Enzyme Inhib Med Chem 28: 727-33 (2013) | Rhodes University | 2D 3D TSV |
| 22524676 | 8 | The efficient expression of human fibroblast collagenase in Escherichia coli and the discovery of flavonoid inhibitors. |
J Enzyme Inhib Med Chem 28: 741-6 (2013) | East China University of Science and Technology | 2D 3D TSV |
| 22524527 | 13 | Structure-based design of novel inhibitors of the MDM2-p53 interaction. |
J Med Chem 55: 4936-54 (2012) | Amgen Inc | 2D 3D TSV |
| 22524450 | 24 | Discovery of new inhibitors of Cdc25B dual specificity phosphatases by structure-based virtual screening. |
J Med Chem 55: 4142-58 (2012) | Universit£ di Napoli Federico II | 2D 3D TSV |
| 22524426 | 281 | Discovery and optimization of new benzimidazole- and benzoxazole-pyrimidone selective PI3Kß inhibitors for the treatment of phosphatase and TENsin homologue (PTEN)-deficient cancers. |
J Med Chem 55: 4788-805 (2012) | Sanofi Research & Development | 2D 3D TSV |
| 22524250 | 12 | Imidazolopiperazines: lead optimization of the second-generation antimalarial agents. |
J Med Chem 55: 4244-73 (2012) | Genomics Institute of the Novartis Research Foundation | 2D 3D TSV |
| 22523618 | 16 | Synthesis and Evaluation of Metabotropic Glutamate Receptor Subtype 5 Antagonists Based on Fenobam(). |
ACS Med Chem Lett 2: 882-884 (2011) | TBA | 2D 3D TSV |
| 22522748 | 1 | Hydralazine as a selective probe inactivator of aldehyde oxidase in human hepatocytes: estimation of the contribution of aldehyde oxidase to metabolic clearance. |
Drug Metab Dispos 40: 1441-8 (2012) | Pfizer Inc | 2D 3D TSV |
| 22522007 | 102 | Screening a library of 1600 adamantyl ureas for anti-Mycobacterium tuberculosis activity in vitro and for better physical chemical properties for bioavailability. |
Bioorg Med Chem 20: 3255-62 (2012) | Colorado State University | 2D 3D TSV |
| 22521647 | 56 | Conjugates of 5-isoquinolinesulfonylamides and oligo-D-arginine possess high affinity and selectivity towards Rho kinase (ROCK). |
Bioorg Med Chem Lett 22: 3425-30 (2012) | University of Tartu | 2D 3D TSV |
| 22521646 | 38 | Novel triazolopyridylbenzamides as potent and selective p38a inhibitors. |
Bioorg Med Chem Lett 22: 3431-6 (2012) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 22520630 | 21 | Synthesis, biological evaluation and molecular docking studies of 1,3,4-oxadiazole derivatives as potential immunosuppressive agents. |
Bioorg Med Chem 20: 3359-67 (2012) | Nanjing University | 2D 3D TSV |
| 22520259 | 65 | Identification of ETP-46321, a potent and orally bioavailable PI3Ka,d inhibitor. |
Bioorg Med Chem Lett 22: 3460-6 (2012) | Spanish National Cancer Research Centre (CNIO) | 2D 3D TSV |
| 22520153 | 135 | Benzothiazoles as probes for the 5HT1A receptor and the serotonin transporter (SERT): a search for new dual-acting agents as potential antidepressants. |
Eur J Med Chem 53: 124-32 (2012) | Florida A&M University | 2D 3D TSV |
| 22519963 | 80 | Discovery of a potent and selective GPR120 agonist. |
J Med Chem 55: 4511-5 (2012) | University of Southern Denmark | 2D 3D TSV |
| 22517972 | 40 | Sequential metabolism of AMG 487, a novel CXCR3 antagonist, results in formation of quinone reactive metabolites that covalently modify CYP3A4 Cys239 and cause time-dependent inhibition of the enzyme. |
Drug Metab Dispos 40: 1429-40 (2012) | Amgen Inc | 2D 3D TSV |
| 22516672 | 47 | Synthesis, biological evaluation and molecular modeling study of pyrazole and pyrazoline derivatives as selective COX-2 inhibitors and anti-inflammatory agents. Part 2. |
Bioorg Med Chem 20: 3306-16 (2012) | University of Mansoura | 2D 3D TSV |
| 22516424 | 7 | The synthesis of 2,5-bis(4-amidinophenyl)thiophene derivatives providing submicromolar-range inhibition of the botulinum neurotoxin serotype A metalloprotease. |
Eur J Med Chem 53: 374-9 (2012) | University of Belgrade | 2D 3D TSV |
| 22516282 | 23 | Synthesis and biological activity of 2-aminothiazoles as novel inhibitors of PGE2 production in cells. |
Bioorg Med Chem Lett 22: 3567-70 (2012) | The University of Arizona | 2D 3D TSV |
| 22516281 | 10 | Practical access to four stereoisomers of naftidrofuryl and their binding affinity towards 5-hydroxytryptamine 2A receptor. |
Bioorg Med Chem Lett 22: 3441-4 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 22515405 | 39 | Thiophene bioisosteres of spirocyclics receptor ligands: relationships between substitution pattern ands receptor affinity. |
J Med Chem 55: 5350-60 (2012) | Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster | 2D 3D TSV |
| 22515328 | 17 | N-(2-oxo-3-oxetanyl)carbamic acid esters as N-acylethanolamine acid amidase inhibitors: synthesis and structure-activity and structure-property relationships. |
J Med Chem 55: 4824-36 (2012) | Universit£ degli Studi di Urbino Carlo Bo | 2D 3D TSV |
| 22512908 | 6 | Synthesis,s1,s2-receptors binding affinity and antiproliferative action of new C1-substituted adamantanes. |
Bioorg Med Chem 20: 3323-31 (2012) | National and Kapodistrian University of Athens | 2D 3D TSV |
| 22512907 | 49 | Discovery of potent and orally bioavailable 17ß-hydroxysteroid dehydrogenase type 3 inhibitors. |
Bioorg Med Chem 20: 3242-54 (2012) | Sumitomo Chemical Co., Ltd | 2D 3D TSV |
| 22512727 | 20 | Synthesis and carbonic anhydrase inhibitory properties of novel coumarin derivatives. |
J Enzyme Inhib Med Chem 28: 299-304 (2013) | Inonu University | 2D 3D TSV |
| 22512696 | 61 | Potent aminocyclitol glucocerebrosidase inhibitors are subnanomolar pharmacological chaperones for treating gaucher disease. |
J Med Chem 55: 4479-88 (2012) | Institut de Qu£mica Avan£ada de Catalunya (IQAC-CSIC) | 2D 3D TSV |
| 22512543 | 72 | Tacrine-ferulic acid-nitric oxide (NO) donor trihybrids as potent, multifunctional acetyl- and butyrylcholinesterase inhibitors. |
J Med Chem 55: 4309-21 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 22512505 | 3 | Butyl pocket formation in the vitamin D receptor strongly affects the agonistic or antagonistic behavior of ligands. |
J Med Chem 55: 4373-81 (2012) | Showa Pharmaceutical University | 2D 3D TSV |
| 22512468 | 13 | Selective thyromimetics using receptor and tissue selectivity approaches: prospects for dyslipidemia. |
J Med Chem 55: 5649-75 (2012) | Zydus Research Centre | 2D 3D TSV |
| 22511346 | 1 | Interaction of lapatinib with cytochrome P450 3A5. |
Drug Metab Dispos 40: 1414-22 (2012) | National University of Singapore | 2D 3D TSV |
| 22507964 | 17 | Crystal structures of AKR1C3 containing an N-(aryl)amino-benzoate inhibitor and a bifunctional AKR1C3 inhibitor and androgen receptor antagonist. Therapeutic leads for castrate resistant prostate cancer. |
Bioorg Med Chem Lett 22: 3492-7 (2012) | Perelman School of Medicine University of Pennsylvania | 2D 3D TSV |
| 22507963 | 73 | Continued optimization of the MLPCN probe ML071 into highly potent agonists of the hM1 muscarinic acetylcholine receptor. |
Bioorg Med Chem Lett 22: 3467-72 (2012) | Vanderbilt University Medical Center | 2D 3D TSV |
| 22507962 | 4 | The central valine concept provides an entry in a new class of non peptide inhibitors of the p53-MDM2 interaction. |
Bioorg Med Chem Lett 22: 3498-502 (2012) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 22507960 | 26 | Synthesis and acrosin inhibitory activity of methyl 5-substituted-1H-benzo[d]imidazol-2-yl carbamate derivatives. |
Bioorg Med Chem Lett 22: 3554-9 (2012) | Second Military Medical University | 2D 3D TSV |
| 22507206 | 21 | Discovery of Ipragliflozin (ASP1941): a novel C-glucoside with benzothiophene structure as a potent and selective sodium glucose co-transporter 2 (SGLT2) inhibitor for the treatment of type 2 diabetes mellitus. |
Bioorg Med Chem 20: 3263-79 (2012) | Astellas Pharma Inc | 2D 3D TSV |
| 22506594 | 20 | Selective inhibition of human type-5 17ß-hydroxysteroid dehydrogenase (AKR1C3) by baccharin, a component of Brazilian propolis. |
J Nat Prod 75: 716-21 (2012) | Gifu Pharmaceutical University | 2D 3D TSV |
| 22506561 | 68 | Novel steroid inhibitors of glucose 6-phosphate dehydrogenase. |
J Med Chem 55: 4431-45 (2012) | University of Manchester | 2D 3D TSV |
| 22506516 | 29 | Discovery of novel allosteric mitogen-activated protein kinase kinase (MEK) 1,2 inhibitors possessing bidentate Ser212 interactions. |
J Med Chem 55: 4594-604 (2012) | Argenta Discovery Ltd | 2D 3D TSV |
| 22506484 | 6 | Structural modifications that alter the P-glycoprotein efflux properties of compounds. |
J Med Chem 55: 4877-95 (2012) | Envoy Therapeutics | 2D 3D TSV |
| 22506091 | 151 | Dual-Specificity Phosphatase CDC25A/B Inhibitor Identified from a Focused Library with Nonelectrophilic Core Structure. |
ACS Med Chem Lett 3: 294-298 (2012) | TBA | 2D 3D TSV |
| 22503460 | 37 | Structure-activity relationships and key structural feature of pyridyloxybenzene-acylsulfonamides as new, potent, and selective peroxisome proliferator-activated receptor (PPAR)¿ Agonists. |
Bioorg Med Chem 20: 3332-58 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22503453 | 59 | The discovery of 2-fluoro-N-(3-fluoro-4-(5-((4-morpholinobutyl)amino)-1,3,4-oxadiazol-2-yl)phenyl)benzamide, a full agonist of the alpha-7 nicotinic acetylcholine receptor showing efficacy in the novel object recognition model of cognition enhancement. |
Bioorg Med Chem Lett 22: 3531-4 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22503362 | 35 | New description of protein-ligand interactions using a spherical self-organizing map. |
Bioorg Med Chem 20: 5410-5 (2012) | Chugai Pharmaceutical Company | 2D 3D TSV |
| 22503250 | 128 | Synthesis and SAR studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off-target kinase selectivity. |
Bioorg Med Chem Lett 22: 3544-9 (2012) | AMRI | 2D 3D TSV |
| 22503249 | 149 | Modulation of thermo-transient receptor potential (thermo-TRP) channels by thymol-based compounds. |
Bioorg Med Chem Lett 22: 3535-9 (2012) | Sapienza University of Rome | 2D 3D TSV |
| 22503248 | 61 | Identification of a series of 1,3,4-oxadiazol-2-amines as potent alpha-7 agonists with efficacy in the novel object recognition model of cognition. |
Bioorg Med Chem Lett 22: 3560-3 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22503246 | 32 | Long-acting peptidomimetics based DPP-IV inhibitors. |
Bioorg Med Chem Lett 22: 3516-21 (2012) | Zydus Research Centre | 2D 3D TSV |
| 22503231 | 66 | Multipotent MAO and cholinesterase inhibitors for the treatment of Alzheimer's disease: synthesis, pharmacological analysis and molecular modeling of heterocyclic substituted alkyl and cycloalkyl propargyl amine. |
Eur J Med Chem 52: 251-62 (2012) | Laboratorio de Radicales Libres y Qu�mica Computacional (IQOG, CSIC) | 2D 3D TSV |
| 22500977 | 30 | De novo peptide design with C3a receptor agonist and antagonist activities: theoretical predictions and experimental validation. |
J Med Chem 55: 4159-68 (2012) | Princeton University | 2D 3D TSV |
| 22500954 | 99 | Discovery of novel 1,2,4-thiadiazole derivatives as potent, orally active agonists of sphingosine 1-phosphate receptor subtype 1 (S1P(1)). |
J Med Chem 55: 4286-96 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22497764 | 3 | Preclinical metabolism of LB42908, a novel farnesyl transferase inhibitor, and its effects on the cytochrome P450 isozyme activities. |
Bioorg Med Chem Lett 22: 3067-71 (2012) | LG Life Sciences R & D Center | 2D 3D TSV |
| 22497763 | 120 | Design and optimization of quinazoline derivatives as melanin concentrating hormone receptor 1 (MCHR1) antagonists: part 2. |
Bioorg Med Chem Lett 22: 3163-7 (2012) | Dr. Reddy's Laboratories Ltd | 2D 3D TSV |
| 22497762 | 35 | Triazoloamides as potent¿-secretase modulators with reduced hERG liability. |
Bioorg Med Chem Lett 22: 3140-6 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22497761 | 59 | Design, synthesis and structure-activity-relationship of 1,5-tetrahydronaphthyridines as CETP inhibitors. |
Bioorg Med Chem Lett 22: 3056-62 (2012) | Eli Lilly and Company | 2D 3D TSV |
| 22497760 | 144 | Discovery of new quinoline ether inhibitors with high affinity and selectivity for PDGFR tyrosine kinases. |
Bioorg Med Chem Lett 22: 3050-5 (2012) | AstraZeneca | 2D 3D TSV |
| 22497444 | 55 | Discovery and characterization of an inhibitor of glucosylceramide synthase. |
J Med Chem 55: 4322-35 (2012) | Exelixis Inc | 2D 3D TSV |
| 22496391 | 40 | Characterization of the in vitro and in vivo metabolism and disposition and cytochrome P450 inhibition/induction profile of saxagliptin in human. |
Drug Metab Dispos 40: 1345-56 (2012) | Bristol-Myers Squibb Research | 2D 3D TSV |
| 22494842 | 18 | The design and synthesis of potent, selective benzodiazepine sulfonamide bombesin receptor subtype 3 (BRS-3) agonists with an increased barrier of atropisomerization. |
Bioorg Med Chem 20: 2845-9 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22494098 | 8 | Dabigatran and dabigatran ethyl ester: potent inhibitors of ribosyldihydronicotinamide dehydrogenase (NQO2). |
J Med Chem 55: 3934-44 (2012) | Caprotec Bioanalytics GmbH | 2D 3D TSV |
| 22490229 | 7 | Species-dependent uptake of glycylsarcosine but not oseltamivir in Pichia pastoris expressing the rat, mouse, and human intestinal peptide transporter PEPT1. |
Drug Metab Dispos 40: 1328-35 (2012) | University of Michigan | 2D 3D TSV |
| 22490067 | 69 | Optimization of (2,3-dihydro-1-benzofuran-3-yl)acetic acids: discovery of a non-free fatty acid-like, highly bioavailable G protein-coupled receptor 40/free fatty acid receptor 1 agonist as a glucose-dependent insulinotropic agent. |
J Med Chem 55: 3960-74 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22490048 | 59 | Synthesis, structure-activity relationship, and pharmacological studies of novel melanin-concentrating hormone receptor 1 antagonists 3-aminomethylquinolines: reducing human ether-a-go-go-related gene (hERG) associated liabilities. |
J Med Chem 55: 4336-51 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22490010 | 8 | A 20S combined with a 22R configuration markedly increases both in vivo and in vitro biological activity of 1a,25-dihydroxy-22-methyl-2-methylene-19-norvitamin D3. |
J Med Chem 55: 4352-66 (2012) | University of Wisconsin-Madison | 2D 3D TSV |
| 22489952 | 38 | Synthesis and biological evaluation of 4-phenylquinazoline-2-carboxamides designed as a novel class of potent ligands of the translocator protein. |
J Med Chem 55: 4506-10 (2012) | Universit£ di Salerno | 2D 3D TSV |
| 22489897 | 41 | Discovery of novel potent and highly selective glycogen synthase kinase-3ß (GSK3ß) inhibitors for Alzheimer's disease: design, synthesis, and characterization of pyrazines. |
J Med Chem 55: 9107-19 (2012) | AstraZeneca | 2D 3D TSV |
| 22487182 | 102 | Design and optimization of quinazoline derivatives as melanin concentrating hormone receptor 1 (MCHR1) antagonists. |
Bioorg Med Chem Lett 22: 3157-62 (2012) | Dr. Reddy's Laboratories Ltd | 2D 3D TSV |
| 22487179 | 50 | Synthesis and SAR of 1,3-thiazolyl thiophene and pyridine derivatives as potent, orally active and S1P3-sparing S1P1 agonists. |
Bioorg Med Chem Lett 22: 3083-8 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 22487176 | 109 | Flavones and structurally related 4-chromenones inhibit carbonic anhydrases by a different mechanism of action compared to coumarins. |
Bioorg Med Chem Lett 22: 3063-6 (2012) | Universit£ degli Studi di Cagliari | 2D 3D TSV |
| 22487174 | 36 | Isothiazole and isoxazole fused pyrimidones as PDE7 inhibitors: SAR and pharmacokinetic evaluation. |
Bioorg Med Chem Lett 22: 3223-8 (2012) | Glenmark Pharmaceuticals Limited | 2D 3D TSV |
| 22486710 | 3 | Head-to-head prenyl tranferases: anti-infective drug targets. |
J Med Chem 55: 4367-72 (2012) | University of Illinois at Urbana-Champaign | 2D 3D TSV |
| 22486652 | 44 | Optimization of adenosine 5'-carboxamide derivatives as adenosine receptor agonists using structure-based ligand design and fragment screening. |
J Med Chem 55: 4297-308 (2012) | National Institute of Diabetes and Digestive and Kidney Diseases | 2D 3D TSV |
| 22483967 | 38 | Rational design, synthesis and anti-proliferative properties of new CB2 selective cannabinoid receptor ligands: an investigation of the 1,8-naphthyridin-2(1H)-one scaffold. |
Eur J Med Chem 52: 284-94 (2012) | Universit£ di Pisa | 2D 3D TSV |
| 22483635 | 1 | Chemical synthesis and biological evaluation of triazole derivatives as inhibitors of InhA and antituberculosis agents. |
Eur J Med Chem 52: 275-83 (2012) | CNRS | 2D 3D TSV |
| 22483609 | 52 | Lead optimization of 4,4-biaryl piperidine amides as ?-secretase inhibitors. |
Bioorg Med Chem Lett 22: 3203-7 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22483608 | 2 | Synthesis and evaluation of 2-[2-(phenylthiomethyl)-1H-benzo[d] imidazol-1-yl)acetohydrazide derivatives as antitumor agents. |
Bioorg Med Chem Lett 22: 3122-5 (2012) | Sichuan University | 2D 3D TSV |
| 22483591 | 12 | Identification of novel isocytosine derivatives as xanthine oxidase inhibitors from a set of virtual screening hits. |
Bioorg Med Chem 20: 2930-9 (2012) | Piramal Healthcare Limited | 2D 3D TSV |
| 22483590 | 5 | Radiofluorinated histamine H3 receptor antagonist as a potential probe for in vivo PET imaging: radiosynthesis and pharmacological evaluation. |
Bioorg Med Chem 20: 2889-96 (2012) | ETH Zurich (Swiss Federal Institute of Technology) | 2D 3D TSV |
| 22483586 | 10 | Moracin M from Morus alba L. is a natural phosphodiesterase-4 inhibitor. |
Bioorg Med Chem Lett 22: 3261-4 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22483585 | 28 | Quinolinyl- and phenantridinyl-acetamides as bradykinin B1 receptor antagonists. |
Bioorg Med Chem Lett 22: 3095-9 (2012) | Gedeon Richter Plc | 2D 3D TSV |
| 22483584 | 3 | Development of rationally designed DNA N6 adenine methyltransferase inhibitors. |
Bioorg Med Chem Lett 22: 3079-82 (2012) | University of Southampton | 2D 3D TSV |
| 22483582 | 3 | Discovery of small molecule HIV-1 integrase dimerization inhibitors. |
Bioorg Med Chem Lett 22: 3109-14 (2012) | University of Siena | 2D 3D TSV |
| 22483390 | 8 | An approach for differentiating isozymes. Construction of libraries containing short aromatic peptides as part of a method to design selective inhibitors against lipases. |
Bioorg Med Chem Lett 22: 3147-51 (2012) | Seoul National University | 2D 3D TSV |
| 22483089 | 2 | Design, synthesis and biological evaluation of thiazole- and indole-based derivatives for the treatment of type II diabetes. |
Eur J Med Chem 52: 70-81 (2012) | Sichuan University | 2D 3D TSV |
| 22482720 | 8 | Pentachlorophenol hydroxylase, a poorly functioning enzyme required for degradation of pentachlorophenol by Sphingobium chlorophenolicum. |
Biochemistry 51: 3848-60 (2012) | University of Colorado Boulder | 2D 3D TSV |
| 22480851 | 6 | Discovery of novel 2-piperidinol-3-(arylsulfonyl)quinoxalines as phosphoinositide 3-kinasea (PI3Ka) inhibitors. |
Bioorg Med Chem 20: 2837-44 (2012) | Zhejiang University | 2D 3D TSV |
| 22480850 | 4 | Synthesis, biological activity and docking study of imidazol-5-one as novel non-nucleoside HIV-1 reverse transcriptase inhibitors. |
Bioorg Med Chem 20: 3119-27 (2012) | YB Chavan College of Pharmacy | 2D 3D TSV |
| 22475926 | 39 | Synthesis and biological evaluation of isoxazolo[4,5-d]pyridazin-4-(5H)-one analogues as potent anti-inflammatory agents. |
Bioorg Med Chem 20: 2912-22 (2012) | University of Hacettepe | 2D 3D TSV |
| 22475866 | 19 | Novel pyrrolopyrimidine analogues as potent dipeptidyl peptidase IV inhibitors based on pharmacokinetic property-driven optimization. |
Eur J Med Chem 52: 205-12 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22475561 | 42 | Synthesis and inhibitory effect of piperine derivates on monoamine oxidase. |
Bioorg Med Chem Lett 22: 3343-8 (2012) | General Hospital of PLA | 2D 3D TSV |
| 22475558 | 82 | Discovery of an orally-bioavailable CC Chemokine Receptor 2 antagonist derived from an acyclic diaminoalcohol backbone. |
Bioorg Med Chem Lett 22: 3311-6 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22475557 | 75 | Synthesis and structure-activity relationships of 1,2,4-triazolo[1,5-a]pyrimidin-7(3H)-ones as novel series of potentß isoform selective phosphatidylinositol 3-kinase inhibitors. |
Bioorg Med Chem Lett 22: 3198-202 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22475308 | 3 | Bis-spirolabdane diterpenoids from Leonotis nepetaefolia. |
J Nat Prod 75: 728-34 (2012) | University of Mississippi | 2D 3D TSV |
| 22475216 | 13 | New structure-activity relationships of A- and D-ring modified steroidal aromatase inhibitors: design, synthesis, and biochemical evaluation. |
J Med Chem 55: 3992-4002 (2012) | University of Coimbra | 2D 3D TSV |
| 22472693 | 17 | Discovery of a novel acetylcholinesterase inhibitor by structure-based virtual screening techniques. |
Bioorg Med Chem Lett 22: 3181-7 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 22472167 | 11 | Studies on gambogic acid (IV): Exploring structure-activity relationship with I¿B kinase-beta (IKKß). |
Eur J Med Chem 51: 110-23 (2012) | China Pharmaceutical University | 2D 3D TSV |
| 22472046 | 40 | Inhibition of cholinesterase activity and amyloid aggregation by berberine-phenyl-benzoheterocyclic and tacrine-phenyl-benzoheterocyclic hybrids. |
Bioorg Med Chem 20: 3038-48 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22469703 | 32 | Isoquinoline derivatives as potent CRTH2 receptor antagonists: synthesis and SAR. |
Bioorg Med Chem Lett 22: 3305-10 (2012) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22469702 | 36 | Substituted aminopyrimidine protein kinase B (PknB) inhibitors show activity against Mycobacterium tuberculosis. |
Bioorg Med Chem Lett 22: 3349-53 (2012) | MRC Technology | 2D 3D TSV |
| 22468999 | 20 | Discovery and optimization of a novel spiropyrrolidine inhibitor ofß-secretase (BACE1) through fragment-based drug design. |
J Med Chem 55: 9069-88 (2012) | Pfizer Inc | 2D 3D TSV |
| 22468970 | 2 | Development of a novel class of glucose transporter inhibitors. |
J Med Chem 55: 3827-36 (2012) | The Ohio State University | 2D 3D TSV |
| 22468936 | 49 | Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent, selective, and orally efficacious agonist 5-(4-acetyl[1,4]diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H-pyrazol-3-yl] amide (SEN15924, WAY-361789). |
J Med Chem 55: 4806-23 (2012) | Siena Biotech SpA | 2D 3D TSV |
| 22468757 | 171 | Medicinal chemistry of A3 adenosine receptor modulators: pharmacological activities and therapeutic implications. |
J Med Chem 55: 5676-703 (2012) | Universit£ di Ferrara | 2D 3D TSV |
| 22468751 | 2 | Inhibition of cysteine proteases by a natural biflavone: behavioral evaluation of fukugetin as papain and cruzain inhibitor. |
J Enzyme Inhib Med Chem 28: 661-70 (2013) | Federal University of São Paulo | 2D 3D TSV |
| 22468750 | 3 | Tyrosinase inhibitory activities of the compounds isolated from Neolitsea aciculata (Blume) Koidz. |
J Enzyme Inhib Med Chem 28: 685-9 (2013) | Jeju National University | 2D 3D TSV |
| 22468746 | 10 | (3,4-Dihydroxyphenyl)(2,3,4-trihydroxyphenyl)methanone and its derivatives as carbonic anhydrase isoenzymes inhibitors. |
J Enzyme Inhib Med Chem 28: 402-6 (2013) | Atatürk University | 2D 3D TSV |
| 22468684 | 76 | Design and synthesis of potent, orally efficacious hydroxyethylamine derivedß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. |
J Med Chem 55: 9025-44 (2012) | Amgen Inc | 2D 3D TSV |
| 22468639 | 26 | Design and preparation of a potent series of hydroxyethylamine containingß-secretase inhibitors that demonstrate robust reduction of centralß-amyloid. |
J Med Chem 55: 9009-24 (2012) | Amgen Inc | 2D 3D TSV |
| 22465637 | 48 | 4-(1-Phenyl-1H-pyrazol-4-yl)quinolines as novel, selective and brain penetrant metabotropic glutamate receptor 4 positive allosteric modulators. |
Bioorg Med Chem Lett 22: 3235-9 (2012) | Lundbeck Research USA, Inc. | 2D 3D TSV |
| 22465636 | 125 | Steroidal C-21 heteroaryl thioethers. Part 3: pregn-4-eno-[3,2-c]pyrazole fused A ring modified steroids as selective glucocorticoid receptor modulators (dissociated steroids). |
Bioorg Med Chem Lett 22: 3291-5 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22465635 | 95 | Thienopyridine ureas as dual inhibitors of the VEGF and Aurora kinase families. |
Bioorg Med Chem Lett 22: 3208-12 (2012) | Abbott Laboratories | 2D 3D TSV |
| 22465091 | 28 | A novel series of l-2-benzyloxycarbonylamino-8-(2-pyridyl)-disulfidyloctanoic acid derivatives as histone deacetylase inhibitors: design, synthesis and molecular modeling study. |
Eur J Med Chem 52: 111-22 (2012) | Dalian University of Technology | 2D 3D TSV |
| 22464687 | 44 | Discovery of novel tricyclic compounds as squalene synthase inhibitors. |
Bioorg Med Chem 20: 3072-93 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 22464684 | 85 | Semisynthetic neoclerodanes as kappa opioid receptor probes. |
Bioorg Med Chem 20: 3100-10 (2012) | The University of Kansas | 2D 3D TSV |
| 22464458 | 8 | Novel acridinedione derivatives: design, synthesis, SIRT1 enzyme and tumor cell growth inhibition studies. |
Bioorg Med Chem Lett 22: 3256-60 (2012) | Birla Institute of Technology | 2D 3D TSV |
| 22464456 | 27 | X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. |
Bioorg Med Chem Lett 22: 3296-300 (2012) | Sanofi US | 2D 3D TSV |
| 22464134 | 1 | Conformationally restricted novel pyrazole derivatives: synthesis of 1,8-disubstituted 5,5-dimethyl-4,5-dihydro-1H-benzo[g]indazoles as a new class of PDE4 inhibitors. |
Bioorg Med Chem Lett 22: 3248-55 (2012) | CiVentiChem (India) Private Limited | 2D 3D TSV |
| 22464133 | 5 | Penicacids A-C, three new mycophenolic acid derivatives and immunosuppressive activities from the marine-derived fungus Penicillium sp. SOF07. |
Bioorg Med Chem Lett 22: 3332-5 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22464132 | 8 | Analogs of the RSK inhibitor SL0101: optimization of in vitro biological stability. |
Bioorg Med Chem Lett 22: 3244-7 (2012) | University of Virginia | 2D 3D TSV |
| 22464131 | 1 | Design, synthesis, and biological activity of novel 1,4-disubstituted piperidine/piperazine derivatives as CCR5 antagonist-based HIV-1 entry inhibitors. |
Bioorg Med Chem Lett 22: 3284-6 (2012) | Beijing Institute of Biotechnology | 2D 3D TSV |
| 22464130 | 27 | Fused bicycles as arylketone bioisosteres leading to potent, orally active thiadiazole H3 antagonists. |
Bioorg Med Chem Lett 22: 3354-7 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22460951 | 7 | Regulation of circadian behaviour and metabolism by synthetic REV-ERB agonists. |
Nature 485: 62-68 (2012) | The Scripps Research Institute | 2D 3D TSV |
| 22460033 | 85 | Novel potent dual inhibitors of CK2 and Pim kinases with antiproliferative activity against cancer cells. |
Bioorg Med Chem Lett 22: 3327-31 (2012) | Cylene Pharmaceuticals | 2D 3D TSV |
| 22460029 | 21 | Design, synthesis and structure-activity relationship of N-substituted tropane muscarinic acetylcholine receptor antagonists. |
Bioorg Med Chem Lett 22: 3366-9 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22460026 | 39 | Synthesis of new opioid derivatives with a propellane skeleton and their pharmacology. Part 2: Propellane derivatives with an amide side chain. |
Bioorg Med Chem Lett 22: 2775-9 (2012) | Kitasato University | 2D 3D TSV |
| 22460025 | 12 | The chemical synthesis of metabolically stabilized 2-OMe-LPA analogues and preliminary studies of their inhibitory activity toward autotaxin. |
Bioorg Med Chem Lett 22: 2698-700 (2012) | Technical University of Lodz | 2D 3D TSV |
| 22459213 | 29 | Design, synthesis, and pharmacological evaluation of benzamide derivatives as glucokinase activators. |
Bioorg Med Chem 20: 2982-91 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22459212 | 12 | Synthesis and biological evaluation of novel human Pin1 inhibitors with benzophenone skeleton. |
Bioorg Med Chem 20: 2992-9 (2012) | Chinese Academy of Medical Sciences & Peking Union Medical College | 2D 3D TSV |
| 22458611 | 16 | Synthesis and biological activity of potent HIV-1 protease inhibitors based on Phe-Pro dihydroxyethylene isosteres. |
J Med Chem 55: 3900-10 (2012) | University of Trieste | 2D 3D TSV |
| 22458568 | 37 | Structure-guided design, synthesis, and evaluation of guanine-derived inhibitors of the eIF4E mRNA-cap interaction. |
J Med Chem 55: 3837-51 (2012) | Amgen Inc | 2D 3D TSV |
| 22458531 | 58 | Discovery of PG545: a highly potent and simultaneous inhibitor of angiogenesis, tumor growth, and metastasis. |
J Med Chem 55: 3804-13 (2012) | Progen Pharmaceuticals Limited | 2D 3D TSV |
| 22455789 | 32 | Synthesis and evaluation of analogues of estrone-3-O-sulfamate as potent steroid sulfatase inhibitors. |
Bioorg Med Chem 20: 2506-19 (2012) | University of Bath | 2D 3D TSV |
| 22455444 | 93 | Evaluation of synthetic FK506 analogues as ligands for the FK506-binding proteins 51 and 52. |
J Med Chem 55: 4114-22 (2012) | Max Planck Institute of Psychiatry | 2D 3D TSV |
| 22455398 | 122 | Exploration of pipecolate sulfonamides as binders of the FK506-binding proteins 51 and 52. |
J Med Chem 55: 4123-31 (2012) | Max Planck Institute of Psychiatry | 2D 3D TSV |
| 22455383 | 16 | Computational design and discovery of"minimally structured" hERG blockers. |
J Med Chem 55: 4010-4 (2012) | University of Bologna | 2D 3D TSV |
| 22455312 | 43 | Synthesis, biological evaluation, and structure-activity relationships of a novel class of apurinic/apyrimidinic endonuclease 1 inhibitors. |
J Med Chem 55: 3101-12 (2012) | National Center for Advancing Translational Sciences | 2D 3D TSV |
| 22452568 | 2 | Structure-based design of novel benzoxazinorifamycins with potent binding affinity to wild-type and rifampin-resistant mutant Mycobacterium tuberculosis RNA polymerases. |
J Med Chem 55: 3814-26 (2012) | University of Michigan | 2D 3D TSV |
| 22452518 | 22 | Discovery of the novel potent and selective FLT3 inhibitor 1-{5-[7-(3- morpholinopropoxy)quinazolin-4-ylthio]-[1,3,4]thiadiazol-2-yl}-3-p-tolylurea and its anti-acute myeloid leukemia (AML) activities in vitro and in vivo. |
J Med Chem 55: 3852-66 (2012) | Sichuan University | 2D 3D TSV |
| 22452412 | 31 | Structure-activity relationships, ligand efficiency, and lipophilic efficiency profiles of benzophenone-type inhibitors of the multidrug transporter P-glycoprotein. |
J Med Chem 55: 3261-73 (2012) | University of Vienna | 2D 3D TSV |
| 22450133 | 64 | Substituted phenoxypropyl-(R)-2-methylpyrrolidine aminomethyl ketones as histamine-3 receptor inverse agonists. |
Bioorg Med Chem Lett 22: 2807-10 (2012) | Cephalon Inc | 2D 3D TSV |
| 22450131 | 8 | A new pancreatic lipase inhibitor from Broussonetia kanzinoki. |
Bioorg Med Chem Lett 22: 2760-3 (2012) | Chungbuk National University | 2D 3D TSV |
| 22450130 | 87 | Design and synthesis of potent, isoxazole-containing renin inhibitors. |
Bioorg Med Chem Lett 22: 2670-4 (2012) | Merck Frosst Centre for Therapeutic Research | 2D 3D TSV |
| 22450128 | 38 | Design and synthesis of 3-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl)-1H-quinolin-2-ones as VEGFR-2 kinase inhibitors. |
Bioorg Med Chem Lett 22: 2837-42 (2012) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 22450127 | 64 | Pyrazolopyrimidines as dual Akt/p70S6K inhibitors. |
Bioorg Med Chem Lett 22: 2693-7 (2012) | Exelixis Inc | 2D 3D TSV |
| 22449023 | 9 | Structure-activity relationship of nonacidic quinazolinone inhibitors of human microsomal prostaglandin synthase 1 (mPGES 1). |
J Med Chem 55: 3792-803 (2012) | Johann Wolfgang Goethe University | 2D 3D TSV |
| 22449016 | 6 | Investigation of chalcones as selective inhibitors of the breast cancer resistance protein: critical role of methoxylation in both inhibition potency and cytotoxicity. |
J Med Chem 55: 3193-200 (2012) | BMSSI UMR 5086 CNRS/Universit£ Lyon 1 | 2D 3D TSV |
| 22448988 | 77 | Design of Bcl-2 and Bcl-xL inhibitors with subnanomolar binding affinities based upon a new scaffold. |
J Med Chem 55: 4664-82 (2012) | University of Michigan | 2D 3D TSV |
| 22448770 | 1 | Discovery and optimization of 2,4-diaminoquinazoline derivatives as a new class of potent dengue virus inhibitors. |
J Med Chem 55: 3135-43 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22446520 | 1 | Contributions of arylacetamide deacetylase and carboxylesterase 2 to flutamide hydrolysis in human liver. |
Drug Metab Dispos 40: 1080-4 (2012) | Kanazawa University | 2D 3D TSV |
| 22445674 | 43 | Cholinestrase inhibitory effects of geranylated flavonoids from Paulownia tomentosa fruits. |
Bioorg Med Chem 20: 2595-602 (2012) | Graduate School of Gyeongsang National University | 2D 3D TSV |
| 22445286 | 19 | Discovery and evaluation of spirocyclic derivatives as antagonists of the neuropeptide Y5 receptor. |
Bioorg Med Chem Lett 22: 2738-43 (2012) | Pfizer Inc | 2D 3D TSV |
| 22445285 | 26 | Design and synthesis of novel opioid ligands with an azabicyclo[2.2.2]octane skeleton and their pharmacologies. |
Bioorg Med Chem Lett 22: 2689-92 (2012) | Kitasato University | 2D 3D TSV |
| 22444876 | 34 | Design, synthesis and evaluation of isaindigotone derivatives as dual inhibitors for acetylcholinesterase and amyloid beta aggregation. |
Bioorg Med Chem 20: 2527-34 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22444875 | 25 | Development of a new class of aromatase inhibitors: design, synthesis and inhibitory activity of 3-phenylchroman-4-one (isoflavanone) derivatives. |
Bioorg Med Chem 20: 2603-13 (2012) | Northern Kentucky University | 2D 3D TSV |
| 22444685 | 45 | A new class of prolylcarboxypeptidase inhibitors, part 2: the aminocyclopentanes. |
Bioorg Med Chem Lett 22: 2818-22 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22444684 | 9 | Bromophenols as inhibitors of protein tyrosine phosphatase 1B with antidiabetic properties. |
Bioorg Med Chem Lett 22: 2827-32 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22444683 | 68 | A new class of prolylcarboxypeptidase inhibitors, part 1: discovery and evaluation. |
Bioorg Med Chem Lett 22: 2811-7 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22444679 | 2 | Radioiodinated sunitinib as a potential radiotracer for imaging angiogenesis-radiosynthesis and first radiopharmacological evaluation of 5-[125I]Iodo-sunitinib. |
Bioorg Med Chem Lett 22: 2850-5 (2012) | Helmholtz-Zentrum Dresden-Rossendorf eV | 2D 3D TSV |
| 22444677 | 45 | Discovery of S-777469: an orally available CB2 agonist as an antipruritic agent. |
Bioorg Med Chem Lett 22: 2803-6 (2012) | Shionogi & Co., Ltd | 2D 3D TSV |
| 22444026 | 103 | Novel sulfonylurea derivatives as H3 receptor antagonists. Preliminary SAR studies. |
Eur J Med Chem 52: 1-13 (2012) | Universidad de Navarra | 2D 3D TSV |
| 22443141 | 115 | Synthesis, structure-activity relationship studies, and X-ray crystallographic analysis of arylsulfonamides as potent carbonic anhydrase inhibitors. |
J Med Chem 55: 3891-9 (2012) | Universit£ di Messina | 2D 3D TSV |
| 22443115 | 4 | In vitro and in vivo trypanosomicidal activity of pyrazole-containing macrocyclic and macrobicyclic polyamines: their action on acute and chronic phases of Chagas disease. |
J Med Chem 55: 4231-43 (2012) | Universidad de Granada | 2D 3D TSV |
| 22442751 | 45 | Potential Drug Abuse Therapeutics Derived from the Hallucinogenic Natural Product Salvinorin A. |
Medchemcomm 2: 1217-1222 (2011) | University of Kansas | 2D 3D TSV |
| 22440859 | 176 | Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases. |
Eur J Med Chem 51: 259-70 (2012) | Vilnius University | 2D 3D TSV |
| 22440625 | 44 | Synthesis and evaluation of piperidine urea derivatives as efficacious 11ß-hydroxysteroid dehydrogenase type 1 inhibitors in diabetic ob/ob mice. |
Bioorg Med Chem Lett 22: 2748-52 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22439974 | 79 | Design and synthesis of pyrrolo[3,2-d]pyrimidine human epidermal growth factor receptor 2 (HER2)/epidermal growth factor receptor (EGFR) dual inhibitors: exploration of novel back-pocket binders. |
J Med Chem 55: 3975-91 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22439881 | 157 | Synthesis, binding affinity, and functional in vitro activity of 3-benzylaminomorphinan and 3-benzylaminomorphine ligands at opioid receptors. |
J Med Chem 55: 3878-90 (2012) | Harvard Medical School | 2D 3D TSV |
| 22439863 | 21 | Synthesis and biological evaluation of 1-arylsulfonyl-5-(N-hydroxyacrylamide)indoles as potent histone deacetylase inhibitors with antitumor activity in vivo. |
J Med Chem 55: 3777-91 (2012) | Taipei Medical University | 2D 3D TSV |
| 22439843 | 32 | Discovery of Plasmodium vivax N-myristoyltransferase inhibitors: screening, synthesis, and structural characterization of their binding mode. |
J Med Chem 55: 3578-82 (2012) | Imperial College | 2D 3D TSV |
| 22437830 | 8 | Selective inhibition of biotin protein ligase from Staphylococcus aureus. |
J Biol Chem 287: 17823-32 (2012) | University of Adelaide | 2D 3D TSV |
| 22437117 | 47 | Lead optimisation of the N1 substituent of a novel series of indazole arylsulfonamides as CCR4 antagonists and identification of a candidate for clinical investigation. |
Bioorg Med Chem Lett 22: 2730-3 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22437115 | 66 | Identification of a novel series of BET family bromodomain inhibitors: binding mode and profile of I-BET151 (GSK1210151A). |
Bioorg Med Chem Lett 22: 2968-72 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22437111 | 34 | CB 1/2 dual agonists with 3-carbamoyl 2-pyridone derivatives as antipruritics: reduction of CNS side effects by introducing polar functional groups. |
Bioorg Med Chem Lett 22: 2894-7 (2012) | Shionogi & Co., Ltd | 2D 3D TSV |
| 22437109 | 31 | 2-anilino-4-aryl-8H-purine derivatives as inhibitors of PDK1. |
Bioorg Med Chem Lett 22: 2880-4 (2012) | S*BIO Pte Ltd | 2D 3D TSV |
| 22436396 | 30 | Progresses in the pursuit of aldose reductase inhibitors: the structure-based lead optimization step. |
Eur J Med Chem 51: 216-26 (2012) | Universit£ di Salerno | 2D 3D TSV |
| 22436387 | 4 | Synthesis and evaluation of [¹8F]fluororasagiline, a novel positron emission tomography (PET) radioligand for monoamine oxidase B (MAO-B). |
Bioorg Med Chem 20: 3065-71 (2012) | Karolinska Institutet | 2D 3D TSV |
| 22435740 | 43 | (1aR,5aR)1a,3,5,5a-Tetrahydro-1H-2,3-diaza-cyclopropa[a]pentalene-4-carboxylic acid (MK-1903): a potent GPR109a agonist that lowers free fatty acids in humans. |
J Med Chem 55: 3644-66 (2012) | Arena Pharmaceuticals | 2D 3D TSV |
| 22435669 | 16 | Discovery and extensive in vitro evaluations of NK-HDAC-1: a chiral histone deacetylase inhibitor as a promising lead. |
J Med Chem 55: 3066-75 (2012) | Nankai University | 2D 3D TSV |
| 22435599 | 4 | Lead optimization of 3-carboxyl-4(1H)-quinolones to deliver orally bioavailable antimalarials. |
J Med Chem 55: 4205-19 (2012) | St. Jude Children's Research Hospital | 2D 3D TSV |
| 22432713 | 64 | Synthesis and pharmacological evaluation of dual acting antioxidant A(2A) adenosine receptor agonists. |
J Med Chem 55: 3521-34 (2012) | Monash University | 2D 3D TSV |
| 22432682 | 2 | Pyrazolo[4,3-c][1,2]benzothiazines 5,5-dioxide: a promising new class of Staphylococcus aureus NorA efflux pump inhibitors. |
J Med Chem 55: 3568-72 (2012) | Universit£ degli Studi di Perugia | 2D 3D TSV |
| 22429471 | 64 | Calcitonin gene-related peptide (CGRP) receptor antagonists: novel aspartates and succinates. |
Bioorg Med Chem Lett 22: 2912-6 (2012) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
| 22429470 | 75 | Calcitonin gene-related peptide (CGRP) receptor antagonists: pyridine as a replacement for a core amide group. |
Bioorg Med Chem Lett 22: 2917-21 (2012) | Bristol-Myers Squibb Research & Development | 2D 3D TSV |
| 22429469 | 2 | Design and synthesis of dihydrobenzofuran amides as orally bioavailable, centrally active¿-secretase modulators. |
Bioorg Med Chem Lett 22: 2906-11 (2012) | Pfizer Inc | 2D 3D TSV |
| 22429468 | 60 | Indole-propionic acid derivatives as potent, S1P3-sparing and EAE efficacious sphingosine-1-phosphate 1 (S1P1) receptor agonists. |
Bioorg Med Chem Lett 22: 2794-7 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22429467 | 2 | Medicinal chemistry approaches to avoid aldehyde oxidase metabolism. |
Bioorg Med Chem Lett 22: 2856-60 (2012) | Pfizer Inc | 2D 3D TSV |
| 22428944 | 61 | Discovery of phenylpropanoic acid derivatives containing polar functionalities as potent and orally bioavailable G protein-coupled receptor 40 agonists for the treatment of type 2 diabetes. |
J Med Chem 55: 3756-76 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22425563 | 16 | Prospective acetylcholinesterase inhibitory activity of indole and its analogs. |
Bioorg Med Chem Lett 22: 2885-8 (2012) | Naresuan University | 2D 3D TSV |
| 22425453 | 43 | Pyrazine-based Syk kinase inhibitors. |
Bioorg Med Chem Lett 22: 2784-8 (2012) | Rhône-Poulenc Rorer | 2D 3D TSV |
| 22425346 | 28 | Synthesis and evaluation of C-11, F-18 and I-125 small molecule radioligands for detecting oxytocin receptors. |
Bioorg Med Chem 20: 2721-38 (2012) | Emory University | 2D 3D TSV |
| 22425031 | 1 | Structure-activity relationship of selected polyphenol derivatives as inhibitors of Bax/Bcl-xL interaction. |
Eur J Med Chem 51: 286-93 (2012) | Universit£ de Rennes1 | 2D 3D TSV |
| 22424979 | 10 | Synthesis and SAR studies of novel heteroaryl fused tetracyclic indole-diamide compounds: potent allosteric inhibitors of the hepatitis C virus NS5B polymerase. |
Bioorg Med Chem Lett 22: 2866-71 (2012) | Bristol-Myers Squibb | 2D 3D TSV |
| 22424978 | 23 | Discovery of novel and potent heterocyclic carboxylic acid derivatives as protein tyrosine phosphatase 1B inhibitors. |
Bioorg Med Chem Lett 22: 2843-9 (2012) | Advinus Therapeutics Ltd | 2D 3D TSV |
| 22424975 | 4 | Sesquiterpene lactones from Tithonia diversifolia act as peroxisome proliferator-activated receptor agonists. |
Bioorg Med Chem Lett 22: 2954-8 (2012) | National Kaohsiung Normal University | 2D 3D TSV |
| 22424974 | 35 | Discovery of new piperidine amide triazolobenzodiazepinones as intestinal-selective CCK1 receptor agonists. |
Bioorg Med Chem Lett 22: 2943-7 (2012) | Pfizer Inc | 2D 3D TSV |
| 22424612 | 29 | Synthesis, modeling and functional activity of substituted styrene-amides as small-molecule CXCR7 agonists. |
Eur J Med Chem 51: 184-92 (2012) | VU University Amsterdam | 2D 3D TSV |
| 22424300 | 3 | Polyhydroxylated macrolides from Seimatosporium discosioides and their effects on the activation of peroxisome proliferator-activated receptor gamma. |
J Nat Prod 75: 784-8 (2012) | Korea University | 2D 3D TSV |
| 22424239 | 42 | Molecular cloning, characterization, and inhibition studies of aß-carbonic anhydrase from Malassezia globosa, a potential antidandruff target. |
J Med Chem 55: 3513-20 (2012) | Union Life Sciences Ltd. | 2D 3D TSV |
| 22421276 | 1 | Tyrosine modified analogues of thea4ß7 integrin inhibitor biotin-R8ERY prepared via Click Chemistry: synthesis and biological evaluation. |
Bioorg Med Chem 20: 2638-44 (2012) | University of Auckland | 2D 3D TSV |
| 22421020 | 9 | Low brain penetrant CB1 receptor agonists for the treatment of neuropathic pain. |
Bioorg Med Chem Lett 22: 2932-7 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22421019 | 62 | Discovery of S-444823, a potent CB1/CB2 dual agonist as an antipruritic agent. |
Bioorg Med Chem Lett 22: 2898-901 (2012) | Shionogi & Co., Ltd | 2D 3D TSV |
| 22421018 | 34 | The design and synthesis of novel, phosphonate-containing transient receptor potential melastatin 8 (TRPM8) antagonists. |
Bioorg Med Chem Lett 22: 2922-6 (2012) | Janssen Pharmaceutica NV | 2D 3D TSV |
| 22420884 | 21 | Application of the bicyclo[1.1.1]pentane motif as a nonclassical phenyl ring bioisostere in the design of a potent and orally active ?-secretase inhibitor. |
J Med Chem 55: 3414-24 (2012) | Pfizer Inc. | 2D 3D TSV |
| 22420844 | 86 | First-in-class, dual-action, 3,5-disubstituted indole derivatives having human nitric oxide synthase (nNOS) and norepinephrine reuptake inhibitory (NERI) activity for the treatment of neuropathic pain. |
J Med Chem 55: 3488-501 (2012) | NeurAxon Inc | 2D 3D TSV |
| 22420827 | 14 | Multifunctional mercapto-tacrine derivatives for treatment of age-related neurodegenerative diseases. |
J Med Chem 55: 3588-92 (2012) | Huazhong University of Science and Technology | 2D 3D TSV |
| 22420626 | 4 | Design of ?-amyloid aggregation inhibitors from a predicted structural motif. |
J Med Chem 55: 3002-10 (2012) | Stanford University | 2D 3D TSV |
| 22418280 | 5 | Development of clickable active site-directed photoaffinity probes for ?-secretase. |
Bioorg Med Chem Lett 22: 2997-3000 (2012) | Memorial Sloan-Kettering Cancer Center | 2D 3D TSV |
| 22417091 | 73 | Design and synthesis of novel lactate dehydrogenase a inhibitors by fragment-based lead generation. |
J Med Chem 55: 3285-306 (2012) | AstraZeneca | 2D 3D TSV |
| 22414679 | 12 | Synthesis and structure elucidation of novel fused 1,2,4-triazine derivatives as potent inhibitors targeting CYP1A1 activity. |
Bioorg Med Chem 20: 2624-37 (2012) | King Abdulaziz University | 2D 3D TSV |
| 22414613 | 6 | Synthesis and biological evaluation of novel small non-peptidic HIV-1 PIs: the benzothiophene ring as an effective moiety. |
Bioorg Med Chem Lett 22: 2948-50 (2012) | Universit£ degli Studi della Basilicata | 2D 3D TSV |
| 22413863 | 21 | Discovery of a potent small-molecule antagonist of inhibitor of apoptosis (IAP) proteins and clinical candidate for the treatment of cancer (GDC-0152). |
J Med Chem 55: 4101-13 (2012) | Genentech | 2D 3D TSV |
| 22413845 | 17 | A new strategy for detection and development of tractable telomerase inhibitors. |
J Med Chem 55: 3678-86 (2012) | University of California | 2D 3D TSV |
| 22410247 | 2 | Aglycone-focused randomization of 2-difluoromethylphenyl-type sialoside suicide substrates for neuraminidases. |
Bioorg Med Chem 20: 2739-46 (2012) | Hokkaido University | 2D 3D TSV |
| 22410083 | 17 | Consequences of linker length alteration of thea7 nicotinic acetylcholine receptor (nAChR) agonist, SEN12333. |
Bioorg Med Chem Lett 22: 2380-4 (2012) | The University of Sydney | 2D 3D TSV |
| 22409666 | 4 | Modern phenotypic drug discovery is a viable, neoclassic pharma strategy. |
J Med Chem 55: 4527-38 (2012) | Eli Lilly and Company | 2D 3D TSV |
| 22409629 | 15 | Discovery of ((S)-5-(methoxymethyl)-7-(1-methyl-1H-indol-2-yl)-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)((S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-yl)methanone as a potent and selective I(Kur) inhibitor. |
J Med Chem 55: 3036-48 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22409598 | 28 | Mechanism-based inactivation (MBI) of cytochrome P450 enzymes: structure-activity relationships and discovery strategies to mitigate drug-drug interaction risks. |
J Med Chem 55: 4896-933 (2012) | Pfizer Inc | 2D 3D TSV |
| 22408719 | 21 | The Synthesis and Evaluation of Dihydroquinazolin-4-ones and Quinazolin-4-ones as Thyroid Stimulating Hormone Receptor Agonists. |
Medchemcomm 2: 1016-1020 (2011) | NIH Chemical Genomics Center | 2D 3D TSV |
| 22408714 | 23 | Discovery of 1,3-Diaminobenzenes as Selective Inhibitors of Platelet Activation at the PAR1 Receptor. |
ACS Med Chem Lett 3: 232-237 (2012) | TBA | 2D 3D TSV |
| 22406152 | 6 | Structure aided design of chimeric antibiotics. |
Bioorg Med Chem Lett 22: 2428-33 (2012) | University of Queensland | 2D 3D TSV |
| 22406151 | 21 | Design and synthesis of orally available MEK inhibitors with potent in vivo antitumor efficacy. |
Bioorg Med Chem Lett 22: 2411-4 (2012) | Takeda California Inc | 2D 3D TSV |
| 22406116 | 4 | Discovery of loperamide as an antagonist of angiopoietin1 and angiopoietin2 by virtual screening. |
Bioorg Med Chem Lett 22: 2388-92 (2012) | Zhejiang Gongshang University | 2D 3D TSV |
| 22406115 | 18 | Discovery of a new binding mode for a series of liver X receptor agonists. |
Bioorg Med Chem Lett 22: 2407-10 (2012) | Amgen Inc | 2D 3D TSV |
| 22405919 | 3 | Synthesis and biological evaluation of benzoisothiazole derivatives possessing N,N-dimethylformimidamide group as 5-HT6 receptor antagonists. |
Bioorg Med Chem 20: 2707-12 (2012) | Ewha Womans University | 2D 3D TSV |
| 22405833 | 52 | Thiadiazoles as new inhibitors of diacylglycerol acyltransferase type 1. |
Bioorg Med Chem Lett 22: 2497-502 (2012) | Sanofi-Aventis R&D | 2D 3D TSV |
| 22405832 | 24 | Discovery of nor-seco himbacine analogs as thrombin receptor antagonists. |
Bioorg Med Chem Lett 22: 2544-9 (2012) | Pfizer Inc | 2D 3D TSV |
| 22405649 | 5 | Growth inhibition of Mycobacterium smegmatis by prodrugs of deoxyxylulose phosphate reducto-isomerase inhibitors, promising anti-mycobacterial agents. |
Eur J Med Chem 51: 277-85 (2012) | University of Strasburg | 2D 3D TSV |
| 22405648 | 7 | Design and synthesis of novel 5-phenyl-N-piperidine ethanone containing 4,5-dihydropyrazole derivatives as potential antitumor agents. |
Eur J Med Chem 51: 294-9 (2012) | Anhui Medical University | 2D 3D TSV |
| 22405291 | 11 | Synthesis and evaluation of CS-2100, a potent, orally active and S1P(3)- sparing S1P(1) agonist. |
Eur J Med Chem 51: 92-8 (2012) | Daiichi Sankyo Co., Ltd | 2D 3D TSV |
| 22405288 | 5 | Synthesis and biological evaluation of piperidine-substituted triazine derivatives as HIV-1 non-nucleoside reverse transcriptase inhibitors. |
Eur J Med Chem 51: 60-6 (2012) | Shandong University | 2D 3D TSV |
| 22405286 | 10 | Recent advances in the synthesis of raloxifene: a selective estrogen receptor modulator. |
Eur J Med Chem 51: 17-34 (2012) | Torrey Pines Institute for Molecular Studies | 2D 3D TSV |
| 22404847 | 24 | Synthesis and Biological Evaluation of N-aryl-4-aryl-1,3-Thiazole-2-Amine Derivatives as Direct 5-Lipoxygenase Inhibitors. |
Chem Biol Drug Des 80: 89-98 (2012) | Korea Research Institute of Chemical Technology | 2D 3D TSV |
| 22404396 | 16 | Synthesis and biological evaluation of derivatives of 2-{2-fluoro-4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid: nonsteroidal anti-inflammatory drugs with low gastric ulcerogenic activity. |
J Med Chem 55: 5143-50 (2012) | Keio University | 2D 3D TSV |
| 22404346 | 52 | Design of potent and selective hybrid inhibitors of the mitotic kinase Nek2: structure-activity relationship, structural biology, and cellular activity. |
J Med Chem 55: 3228-41 (2012) | The Institute of Cancer Research | 2D 3D TSV |
| 22404301 | 44 | Synthesis and discovery of N-carbonylpyrrolidine- or N-sulfonylpyrrolidine-containing uracil derivatives as potent human deoxyuridine triphosphatase inhibitors. |
J Med Chem 55: 2960-9 (2012) | Taiho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22401864 | 61 | Discovery of oxazole-based PDE4 inhibitors with picomolar potency. |
Bioorg Med Chem Lett 22: 2594-7 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22401863 | 30 | Structure based design of an in vivo active hydroxamic acid inhibitor of P. aeruginosa LpxC. |
Bioorg Med Chem Lett 22: 2536-43 (2012) | Pfizer Inc. | 2D 3D TSV |
| 22401672 | 6 | Potent antiviral HIV-1 protease inhibitor GRL-02031 adapts to the structures of drug resistant mutants with its P1'-pyrrolidinone ring. |
J Med Chem 55: 3387-97 (2012) | Georgia State University | 2D 3D TSV |
| 22400713 | 39 | Structure-activity relationships and optimization of 3,5-dichloropyridine derivatives as novel P2X(7) receptor antagonists. |
J Med Chem 55: 3687-98 (2012) | Gwangju Institute of Science and Technology (GIST) | 2D 3D TSV |
| 22398259 | 87 | Synthesis and structure-activity relationship studies of 3-biaryl-8-oxabicyclo[3.2.1]octane-2-carboxylic acid methyl esters. |
Bioorg Med Chem 20: 2762-72 (2012) | TUBITAK MAM Chemistry Institute P K 21 Gebze | 2D 3D TSV |
| 22397393 | 5 | Synthesis of a-oxycarbanilinophosphonates and their anticholinesterase activities: the most potent derivative is bound to the peripheral site of acetylcholinesterase. |
J Enzyme Inhib Med Chem 28: 576-82 (2013) | Institute for Advanced Studies in Basic Sciences (IASBS) | 2D 3D TSV |
| 22394120 | 7 | The cis-4-amino-L-proline residue as a scaffold for the synthesis of cyclic and linear endomorphin-2 analogues. |
J Med Chem 55: 3027-35 (2012) | Universit£ di Chieti-Pescara G. d'Annunzio | 2D 3D TSV |
| 22394077 | 19 | Bruton's tyrosine kinase inhibitors: approaches to potent and selective inhibition, preclinical and clinical evaluation for inflammatory diseases and B cell malignancies. |
J Med Chem 55: 4539-50 (2012) | Hoffmann-La Roche Inc | 2D 3D TSV |
| 22391033 | 69 | Design, synthesis, and biological evaluation of 4-arylmethyl-1-phenylpyrazole and 4-aryloxy-1-phenylpyrazole derivatives as novel androgen receptor antagonists. |
Bioorg Med Chem 20: 2338-52 (2012) | Takeda Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22390835 | 80 | Structure based design of iminohydantoin BACE1 inhibitors: identification of an orally available, centrally active BACE1 inhibitor. |
Bioorg Med Chem Lett 22: 2444-9 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22390627 | 1 | Tyrosyl-DNA phosphodiesterase 1 inhibitor from an anamorphic fungus. |
J Nat Prod 75: 764-7 (2012) | Biomedicinal Information Research Center (BIRC) | 2D 3D TSV |
| 22390538 | 2 | 3,5-Diaryl-2-aminopyridines as a novel class of orally active antimalarials demonstrating single dose cure in mice and clinical candidate potential. |
J Med Chem 55: 3479-87 (2012) | University of Cape Town | 2D 3D TSV |
| 22390415 | 28 | Design and synthesis of active site inhibitors of the human farnesyl pyrophosphate synthase: apoptosis and inhibition of ERK phosphorylation in multiple myeloma cells. |
J Med Chem 55: 3201-15 (2012) | McGill University | 2D 3D TSV |
| 22386984 | 67 | In silico scaffold evaluation and solid phase approach to identify new gelatinase inhibitors. |
Bioorg Med Chem 20: 2323-37 (2012) | Colosseum Combinatorial Chemistry Centre for Technology (C4T SCarl) | 2D 3D TSV |
| 22386983 | 25 | Synthesis and evaluation of fluorobenzoylated di- and tripeptides as inhibitors of cyclooxygenase-2 (COX-2). |
Bioorg Med Chem 20: 2221-6 (2012) | University of Alberta | 2D 3D TSV |
| 22386981 | 14 | Synthesis and P2Y2 receptor agonist activities of uridine 5'-phosphonate analogues. |
Bioorg Med Chem 20: 2304-15 (2012) | Ghent University | 2D 3D TSV |
| 22386980 | 7 | Mutation of active site residues Asn67 to Ile, Gln92 to Val and Leu204 to Ser in human carbonic anhydrase II: influences on the catalytic activity and affinity for inhibitors. |
Bioorg Med Chem 20: 2208-13 (2012) | Balikesir University | 2D 3D TSV |
| 22386979 | 104 | Discovery of novel prostaglandin analogs as potent and selective EP2/EP4 dual agonists. |
Bioorg Med Chem 20: 2235-51 (2012) | Minase Research Institute | 2D 3D TSV |
| 22386978 | 2 | C-C bond formation at C-2 of a quinoline ring: synthesis of 2-(1H-indol-3-yl)quinoline-3-carbonitrile derivatives as a new class of PDE4 inhibitors. |
Bioorg Med Chem 20: 2199-207 (2012) | University of Hyderabad Campus | 2D 3D TSV |
| 22386665 | 23 | 3-Phenyl-5-isothiazole carboxamides with potent mGluR1 antagonist activity. |
Bioorg Med Chem Lett 22: 2514-7 (2012) | Eli Lilly and Company | 2D 3D TSV |
| 22386564 | 43 | Optimization of the aromatase inhibitory activities of pyridylthiazole analogues of resveratrol. |
Bioorg Med Chem 20: 2427-34 (2012) | Purdue University | 2D 3D TSV |
| 22386529 | 38 | From ApoA1 upregulation to BET family bromodomain inhibition: discovery of I-BET151. |
Bioorg Med Chem Lett 22: 2963-7 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22386527 | 23 | Discovery of novel aminoquinazolin-7-yl 6,7-dihydro-indol-4-ones as potent, selective inhibitors of heat shock protein 90. |
Bioorg Med Chem Lett 22: 2550-4 (2012) | Serenex Inc. | 2D 3D TSV |
| 22386368 | 33 | Synthesis and cytotoxicity evaluation of biaryl-based chalcones and their potential in TNFa-induced nuclear factor-¿B activation inhibition. |
Eur J Med Chem 50: 393-404 (2012) | Sun Yat-sen University | 2D 3D TSV |
| 22386260 | 9 | Use of copper(I) catalyzed azide alkyne cycloaddition (CuAAC) for the preparation of conjugated pyrrolo[2,3-a]carbazole Pim kinase inhibitors. |
Eur J Med Chem 50: 304-10 (2012) | Clermont Universit£ | 2D 3D TSV |
| 22386244 | 4 | Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening. |
Bioorg Med Chem Lett 22: 2450-5 (2012) | Sanofi Pharmaceuticals | 2D 3D TSV |
| 22386243 | 83 | Discovery of thiadiazole amides as potent, S1P3-sparing agonists of sphingosine-1-phosphate 1 (S1P1) receptor. |
Bioorg Med Chem Lett 22: 2456-9 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22386242 | 13 | N-Caffeoyl serotonin as selective COX-2 inhibitor. |
Bioorg Med Chem Lett 22: 2494-6 (2012) | Kinki University | 2D 3D TSV |
| 22386241 | 46 | Synthesis and pharmacological evaluation of carbamic acid 1-phenyl-3-(4-phenyl-piperazine-1-yl)-propyl ester derivatives as new analgesic agents. |
Bioorg Med Chem Lett 22: 2434-9 (2012) | SK Biopharmaceuticals | 2D 3D TSV |
| 22385507 | 20 | Effect of phosphodiesterase 7 (PDE7) inhibitors in experimental autoimmune encephalomyelitis mice. Discovery of a new chemically diverse family of compounds. |
J Med Chem 55: 3274-84 (2012) | Instituto de Qu£mica M£dica (CSIC) | 2D 3D TSV |
| 22385498 | 24 | Synthesis and evaluation of a set of para-substituted 4-phenylpiperidines and 4-phenylpiperazines as monoamine oxidase (MAO) inhibitors. |
J Med Chem 55: 3242-9 (2012) | NeuroSearch Sweden AB | 2D 3D TSV |
| 22385476 | 7 | Structure-activity relationships in human Toll-like receptor 2-specific monoacyl lipopeptides. |
J Med Chem 55: 3353-63 (2012) | University of Kansas | 2D 3D TSV |
| 22381672 | 20 | Antiarrhythmic properties of phenylpiperazine derivatives of phenytoin with ??-adrenoceptor affinities. |
Bioorg Med Chem 20: 2290-303 (2012) | Jagiellonian University Medical College | 2D 3D TSV |
| 22381357 | 41 | New 4-[(5-arylidene-2-arylimino-4-oxo-3-thiazolidinyl)methyl]benzoic acids active as protein tyrosine phosphatase inhibitors endowed with insulinomimetic effect on mouse C2C12 skeletal muscle cells. |
Eur J Med Chem 50: 332-43 (2012) | University of Messina | 2D 3D TSV |
| 22381355 | 16 | Design, synthesis and molecular docking studies of some novel spiro[indoline-3, 4'-piperidine]-2-ones as potential c-Met inhibitors. |
Eur J Med Chem 50: 370-5 (2012) | Southern Medical University | 2D 3D TSV |
| 22381334 | 2 | In vitro and in vivo metabolism and pharmacokinetics of BMS-562086, a potent and orally bioavailable corticotropin-releasing factor-1 receptor antagonist. |
Drug Metab Dispos 40: 1093-103 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22381116 | 2 | The discovery of novel β-secretase inhibitors: pharmacophore modeling, virtual screening, and docking studies. |
Chem Biol Drug Des 79: 972-80 (2012) | Peking University Health Science Center | 2D 3D TSV |
| 22381048 | 45 | Synthesis and SAR study of 4-arylpiperidines and 4-aryl-1,2,3,6-tetrahydropyridines as 5-HT2C agonists. |
Bioorg Med Chem Lett 22: 2560-4 (2012) | Monash University (Parkville Campus) | 2D 3D TSV |
| 22381047 | 30 | Anti-inflammatory and PPAR transactivational effects of secondary metabolites from the roots of Asarum sieboldii. |
Bioorg Med Chem Lett 22: 2527-33 (2012) | Chungnam National University | 2D 3D TSV |
| 22380779 | 35 | Design, synthesis and preliminary activity evaluation of novel 3-amino-2-hydroxyl-3-phenylpropanoic acid derivatives as aminopeptidase N/CD13 inhibitors. |
J Enzyme Inhib Med Chem 28: 545-51 (2013) | Shandong University | 2D 3D TSV |
| 22380777 | 16 | Synthesis and HIV-1 RT inhibitory action of novel (4/6-substituted benzo[d]thiazol -2-yl)thiazolidin-4-ones. Divergence from the non-competitive inhibition mechanism. |
J Enzyme Inhib Med Chem 28: 113-22 (2013) | Aristotle University of Thessaloniki | 2D 3D TSV |
| 22380775 | 28 | 2-(2-indolyl-)-4(3H)-quinazolines derivates as new inhibitors of AChE: design, synthesis, biological evaluation and molecular modelling. |
J Enzyme Inhib Med Chem 28: 583-92 (2013) | Sun Yat-sen University | 2D 3D TSV |
| 22380772 | 34 | Secondary/tertiary benzenesulfonamides with inhibitory action against the cytosolic human carbonic anhydrase isoforms I and II. |
J Enzyme Inhib Med Chem 28: 294-8 (2013) | Ataturk University | 2D 3D TSV |
| 22380770 | 5 | Inhibition of fatty acid synthase by ginkgolic acids from the leaves of Ginkgo biloba and their cytotoxic activity. |
J Enzyme Inhib Med Chem 28: 565-8 (2013) | Yeungnam University | 2D 3D TSV |
| 22380736 | 90 | Discovery of highly potent and selective pan-Aurora kinase inhibitors with enhanced in vivo antitumor therapeutic index. |
J Med Chem 55: 3250-60 (2012) | Ambit Biosciences Corporation | 2D 3D TSV |
| 22380680 | 3 | Inhibition of homologous recombination in human cells by targeting RAD51 recombinase. |
J Med Chem 55: 3011-20 (2012) | Drexel University College of Medicine | 2D 3D TSV |
| 22380653 | 69 | Lead optimization of 17ß-HSD1 inhibitors of the (hydroxyphenyl)naphthol sulfonamide type for the treatment of endometriosis. |
J Med Chem 55: 3307-18 (2012) | Saarland University | 2D 3D TSV |
| 22380629 | 174 | Discovery of cyclic sulfone hydroxyethylamines as potent and selectiveß-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure-based design and in vivo reduction of amyloidß-peptides. |
J Med Chem 55: 3364-86 (2012) | Novartis Pharma AG | 2D 3D TSV |
| 22380603 | 3 | Novel cGMP efflux inhibitors identified by virtual ligand screening (VLS) and confirmed by experimental studies. |
J Med Chem 55: 3049-57 (2012) | University of Troms£ | 2D 3D TSV |
| 22380511 | 73 | Dynamic modeling of human 5-lipoxygenase-inhibitor interactions helps to discover novel inhibitors. |
J Med Chem 55: 2597-605 (2012) | Peking University | 2D 3D TSV |
| 22377675 | 44 | Indeno[1,2-b]indole derivatives as a novel class of potent human protein kinase CK2 inhibitors. |
Bioorg Med Chem 20: 2282-9 (2012) | Westf£lische Wilhelms-Universit£t M£nster | 2D 3D TSV |
| 22377674 | 80 | Novel coumarins and 2-thioxo-coumarins as inhibitors of the tumor-associated carbonic anhydrases IX and XII. |
Bioorg Med Chem 20: 2266-73 (2012) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 22377673 | 4 | Proteasome inhibitors for cancer therapy. |
Bioorg Med Chem 20: 2362-8 (2012) | Cephalon Inc | 2D 3D TSV |
| 22377671 | 6 | 2-Morpholinoisoflav-3-enes as flexible intermediates in the synthesis of phenoxodiol, isophenoxodiol, equol and analogues: vasorelaxant properties, estrogen receptor binding and Rho/RhoA kinase pathway inhibition. |
Bioorg Med Chem 20: 2353-61 (2012) | University of Melbourne | 2D 3D TSV |
| 22377519 | 23 | An example of designed multiple ligands spanning protein classes: dual MCH-1R antagonists/DPPIV inhibitors. |
Bioorg Med Chem Lett 22: 2464-9 (2012) | Prosidion Ltd | 2D 3D TSV |
| 22377517 | 15 | Design of oxobenzimidazoles and oxindoles as novel androgen receptor antagonists. |
Bioorg Med Chem Lett 22: 2572-8 (2012) | Pfizer Inc | 2D 3D TSV |
| 22377514 | 75 | The SAR development of dihydroimidazoisoquinoline derivatives as phosphodiesterase 10A inhibitors for the treatment of schizophrenia. |
Bioorg Med Chem Lett 22: 2585-9 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22376008 | 19 | Synthesis, X-ray analysis, and biological evaluation of a new class of stereopure lactam-based HIV-1 protease inhibitors. |
J Med Chem 55: 2724-36 (2012) | Uppsala University | 2D 3D TSV |
| 22374217 | 33 | Pyridyl aminothiazoles as potent inhibitors of Chk1 with slow dissociation rates. |
Bioorg Med Chem Lett 22: 2609-12 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22373734 | 42 | Novel acid-type cyclooxygenase-2 inhibitors: Design, synthesis, and structure-activity relationship for anti-inflammatory drug. |
Eur J Med Chem 50: 179-95 (2012) | Pfizer Inc | 2D 3D TSV |
| 22372864 | 25 | Synthesis and biological evaluation of pyrimidine-based dual inhibitors of human epidermal growth factor receptor 1 (HER-1) and HER-2 tyrosine kinases. |
J Med Chem 55: 2846-57 (2012) | Hanmi Research Center | 2D 3D TSV |
| 22372835 | 71 | Design and synthesis of cannabinoid receptor 1 antagonists for peripheral selectivity. |
J Med Chem 55: 2820-34 (2012) | Research Triangle Institute | 2D 3D TSV |
| 22372816 | 3 | Fluorophosphonylated nucleoside derivatives as new series of thymidine phosphorylase multisubstrate inhibitors. |
J Med Chem 55: 2758-68 (2012) | Universit£ de Caen Basse-Normandie | 2D 3D TSV |
| 22370341 | 29 | Favourable involvement ofa2A-adrenoreceptor antagonism in the I2-imidazoline binding sites-mediated morphine analgesia enhancement. |
Bioorg Med Chem 20: 2259-65 (2012) | University of Camerino | 2D 3D TSV |
| 22370340 | 91 | N¿?¿-(3-Bromophenyl)-7-(substituted benzyl) pyrrolo[2,3-d]pyrimidines as potent multiple receptor tyrosine kinase inhibitors: design, synthesis, and in vivo evaluation. |
Bioorg Med Chem 20: 2444-54 (2012) | Duquesne University | 2D 3D TSV |
| 22370338 | 183 | Design and synthesis of thiourea compounds that inhibit transmembrane anchored carbonic anhydrases. |
Bioorg Med Chem 20: 2392-404 (2012) | Griffith University | 2D 3D TSV |
| 22370337 | 30 | Intramolecular hydrogen bonding: a potential strategy for more bioavailable inhibitors of neuronal nitric oxide synthase. |
Bioorg Med Chem 20: 2435-43 (2012) | Northwestern University | 2D 3D TSV |
| 22370270 | 30 | Novel, druglike 1,7-disubstituted 2,3,4,5-tetrahydro-1H-benzo[b]azepine-based selective inhibitors of human neuronal nitric oxide synthase (nNOS). |
Bioorg Med Chem Lett 22: 2510-3 (2012) | NeurAxon Inc | 2D 3D TSV |
| 22370269 | 44 | Discovery of P2X3 selective antagonists for the treatment of chronic pain. |
Bioorg Med Chem Lett 22: 2565-71 (2012) | AstraZeneca | 2D 3D TSV |
| 22370265 | 63 | Synthesis and evaluation of 2-amido-3-carboxamide thiophene CB2 receptor agonists for pain management. |
Bioorg Med Chem Lett 22: 2604-8 (2012) | Abbott Laboratories | 2D 3D TSV |
| 22369268 | 29 | Multiple determinants for selective inhibition of apicomplexan calcium-dependent protein kinase CDPK1. |
J Med Chem 55: 2803-10 (2012) | University of Washington | 2D 3D TSV |
| 22369198 | 40 | From bradykinin B2 receptor antagonists to orally active and selective bradykinin B1 receptor antagonists. |
J Med Chem 55: 2574-84 (2012) | Laboratoires Fournier | 2D 3D TSV |
| 22369181 | 6 | (Z)-2-(2-bromophenyl)-3-{[4-(1-methyl-piperazine)amino]phenyl}acrylonitrile (DG172): an orally bioavailable PPARß/d-selective ligand with inverse agonistic properties. |
J Med Chem 55: 2858-68 (2012) | Philipps University | 2D 3D TSV |
| 22368763 | 82 | Small Molecule Inhibitors of Regulator of G Protein Signalling (RGS) Proteins. |
ACS Med Chem Lett 3: 146-150 (2012) | TBA | 2D 3D TSV |
| 22366955 | 11 | Blind prediction of host-guest binding affinities: a new SAMPL3 challenge. |
J Comput Aided Mol Des 26: 475-87 (2012) | University of California San Diego | 2D 3D TSV |
| 22366657 | 39 | A novel series of benzimidazole NR2B-selective NMDA receptor antagonists. |
Bioorg Med Chem Lett 22: 2620-3 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22366656 | 5 | Oroxylin A analogs exhibited strong inhibitory activities against iNOS-mediated nitric oxide (NO) production. |
Bioorg Med Chem Lett 22: 2534-5 (2012) | Kangwon National University | 2D 3D TSV |
| 22366654 | 33 | 2-Amidino analogs of glycine-amiloride conjugates: inhibitors of urokinase-type plasminogen activator. |
Bioorg Med Chem Lett 22: 2635-9 (2012) | University of Louisville | 2D 3D TSV |
| 22366653 | 3 | Discovery of GS-9451: an acid inhibitor of the hepatitis C virus NS3/4A protease. |
Bioorg Med Chem Lett 22: 2629-34 (2012) | Gilead Sciences Inc | 2D 3D TSV |
| 22365911 | 3 | Synthesis and structure-activity relationship of 4-amino-2-phenylpyrimidine derivatives as a series of novel GPR119 agonists. |
Bioorg Med Chem 20: 2369-75 (2012) | Astellas Pharma Inc | 2D 3D TSV |
| 22365762 | 64 | Pyridyl aminothiazoles as potent Chk1 inhibitors: optimization of cellular activity. |
Bioorg Med Chem Lett 22: 2613-9 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22365761 | 144 | New chemotypes acting as isozyme-selective carbonic anhydrase inhibitors with low affinity for the offtarget cytosolic isoform II. |
Bioorg Med Chem Lett 22: 2182-5 (2012) | Universit£ degli Studi di Firenze | 2D 3D TSV |
| 22365760 | 6 | Pyrrolovesamicols--synthesis, structure and VAChT binding of two 4-fluorobenzoyl regioisomers. |
Bioorg Med Chem Lett 22: 2163-6 (2012) | Institute of Radiopharmacy | 2D 3D TSV |
| 22365758 | 43 | Identification and optimization of small molecule antagonists of vasoactive intestinal peptide receptor-1 (VIPR1). |
Bioorg Med Chem Lett 22: 2287-90 (2012) | Bristol-Myers Squibb Co. | 2D 3D TSV |
| 22365757 | 2 | Molecular modeling study of cyclic pentapeptide CXCR4 antagonists: new insight into CXCR4-FC131 interactions. |
Bioorg Med Chem Lett 22: 2146-50 (2012) | PharmaDesign Inc | 2D 3D TSV |
| 22365755 | 42 | Discovery of potent, selective, and metabolically stable 4-(pyridin-3-yl)cinnolines as novel phosphodiesterase 10A (PDE10A) inhibitors. |
Bioorg Med Chem Lett 22: 2262-5 (2012) | Amgen Inc | 2D 3D TSV |
| 22365751 | 45 | Synthesis and evaluation of a new series of 1'-cyclobutyl-6-(4-piperidyloxy)spiro[benzopyran-2,4'-piperidine] derivatives as high affinity and selective histamine-3 receptor (H3R) antagonists. |
Bioorg Med Chem Lett 22: 2151-3 (2012) | Cephalon Inc | 2D 3D TSV |
| 22365563 | 29 | Synthesis and SAR optimization of quinazolin-4(3H)-ones as poly(ADP-ribose)polymerase-1 inhibitors. |
Eur J Med Chem 50: 264-73 (2012) | St. John's University | 2D 3D TSV |
| 22365562 | 154 | Fluorinated dual antithrombotic compounds based on 1,4-benzoxazine scaffold. |
Eur J Med Chem 50: 255-63 (2012) | University of Ljubljana | 2D 3D TSV |
| 22364952 | 4 | Synthesis and antidiabetic performance of ?-amino ketone containing nabumetone moiety. |
Bioorg Med Chem 20: 2119-30 (2012) | Southwest University | 2D 3D TSV |
| 22364812 | 7 | Substituent effects on P2-cyclopentyltetrahydrofuranyl urethanes: design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors. |
Bioorg Med Chem Lett 22: 2308-11 (2012) | Purdue University | 2D 3D TSV |
| 22364743 | 8 | Asymmetric synthesis and evaluation of a hydroxyphenylamide voltage-gated sodium channel blocker in human prostate cancer xenografts. |
Bioorg Med Chem 20: 2180-8 (2012) | University of Virginia | 2D 3D TSV |
| 22364528 | 412 | 1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia. |
J Med Chem 55: 2945-59 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22364337 | 38 | Discovery of 1,4-disubstituted 3-cyano-2-pyridones: a new class of positive allosteric modulators of the metabotropic glutamate 2 receptor. |
J Med Chem 55: 2388-405 (2012) | Janssen-Cilag S.A. | 2D 3D TSV |
| 22361686 | 3 | Design, synthesis and biological evaluation of novel (E)-?-benzylsulfonyl chalcone derivatives as potential BRAF inhibitors. |
Eur J Med Chem 50: 288-95 (2012) | Nanjing University | 2D 3D TSV |
| 22361685 | 123 | Identification of HIV-1 reverse transcriptase dual inhibitors by a combined shape-, 2D-fingerprint- and pharmacophore-based virtual screening approach. |
Eur J Med Chem 50: 216-29 (2012) | Universit£ degli Studi Magna Grecia di Catanzaro | 2D 3D TSV |
| 22361272 | 74 | Design, synthesis and biological evaluation of pyrazolyl-thiazolinone derivatives as potential EGFR and HER-2 kinase inhibitors. |
Bioorg Med Chem 20: 2010-8 (2012) | Nanjing University | 2D 3D TSV |
| 22361135 | 29 | Indolyl and dihydroindolyl N-glycinamides as potent and in vivo active NPY5 antagonists. |
Bioorg Med Chem Lett 22: 2167-71 (2012) | Lundbeck Research USA | 2D 3D TSV |
| 22361134 | 26 | N-1 and C-3 substituted indole Schiff bases as selective COX-2 inhibitors: synthesis and biological evaluation. |
Bioorg Med Chem Lett 22: 2154-9 (2012) | University of Alberta | 2D 3D TSV |
| 22361133 | 148 | Synthesis and structure-activity relationships of imidazo[1,2-a]pyrimidin-5(1H)-ones as a novel series of beta isoform selective phosphatidylinositol 3-kinase inhibitors. |
Bioorg Med Chem Lett 22: 2230-4 (2012) | GlaxoSmithKline | 2D 3D TSV |
| 22360639 | 12 | Cycloartane and friedelane triterpenoids from the leaves of Caloncoba glauca and their evaluation for inhibition of 11ß-hydroxysteroid dehydrogenases. |
J Nat Prod 75: 599-604 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22360587 | 1 | Symplocin A, a linear peptide from the Bahamian cyanobacterium Symploca sp. Configurational analysis of N,N-dimethylamino acids by chiral-phase HPLC of naphthacyl esters. |
J Nat Prod 75: 425-31 (2012) | University of California | 2D 3D TSV |
| 22360565 | 20 | Rapid assembly of a library of lipophilic iminosugars via the thiol-ene reaction yields promising pharmacological chaperones for the treatment of Gaucher disease. |
J Med Chem 55: 2737-45 (2012) | University of British Columbia | 2D 3D TSV |
| 22357342 | 8 | SAR and biological evaluation of 3-azabicyclo[3.1.0]hexane derivatives asµ opioid ligands. |
Bioorg Med Chem Lett 22: 2200-3 (2012) | Pfizer Inc | 2D 3D TSV |
| 22356915 | 27 | Biological and structural characterization of Trypanosoma cruzi phosphodiesterase C and Implications for design of parasite selective inhibitors. |
J Biol Chem 287: 11788-97 (2012) | University of North Carolina | 2D 3D TSV |
| 22356319 | 4 | Inhibition of galactosyltransferases by a novel class of donor analogues. |
J Med Chem 55: 2015-24 (2012) | University of East Anglia | 2D 3D TSV |
| 22352892 | 42 | Synthesis, biological evaluation, and molecular modeling of natural and unnatural flavonoidal alkaloids, inhibitors of kinases. |
J Med Chem 55: 2811-9 (2012) | Institut de Chimie des Substances Naturelles (ICSN) | 2D 3D TSV |
| 22352868 | 8 | Structure-activity relationship study of a CXC chemokine receptor type 4 antagonist, FC131, using a series of alkene dipeptide isosteres. |
J Med Chem 55: 2746-57 (2012) | Kyoto University | 2D 3D TSV |
| 22352782 | 17 | Imidazo[1,2-a]pyridines: orally active positive allosteric modulators of the metabotropic glutamate 2 receptor. |
J Med Chem 55: 2688-701 (2012) | Janssen-Cilag S.A. | 2D 3D TSV |
| 22344701 | 30 | Biocatalytic synthesis and structure elucidation of cyclized metabolites of the deacetylase inhibitor panobinostat (LBH589). |
Drug Metab Dispos 40: 1041-50 (2012) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 22342630 | 2 | Biotransformations of 6',7'-dihydroxybergamottin and 6',7'-epoxybergamottin by the citrus-pathogenic fungi diminish cytochrome P450 3A4 inhibitory activity. |
Bioorg Med Chem Lett 22: 2279-82 (2012) | Agricultural Research Service | 2D 3D TSV |
| 22342627 | 36 | Rational design, synthesis and characterization of potent, drug-like monomeric Smac mimetics as pro-apoptotic anticancer agents. |
Bioorg Med Chem Lett 22: 2204-8 (2012) | CISI scrl | 2D 3D TSV |
| 22342626 | 42 | Substituted azaquinazolinones as modulators of GHSr-1a for the treatment of type II diabetes and obesity. |
Bioorg Med Chem Lett 22: 2271-8 (2012) | Prosidion Ltd | 2D 3D TSV |
| 22342625 | 6 | Structure-based virtual screening approach to the discovery of p38 MAP kinase inhibitors. |
Bioorg Med Chem Lett 22: 2195-9 (2012) | Sejong University | 2D 3D TSV |
| 22342624 | 2 | Acetylenic acid analogues from the edible mushroom Chanterelle (Cantharellus cibarius) and their effects on the gene expression of peroxisome proliferator-activated receptor-gamma target genes. |
Bioorg Med Chem Lett 22: 2347-9 (2012) | Korea University | 2D 3D TSV |
| 22342268 | 98 | Design and synthesis of novel sulfonamide-containing bradykinin hB(2) receptor antagonists. Synthesis and structure-relationships ofa,a-tetrahydropyranylglycine. |
Bioorg Med Chem 20: 2091-100 (2012) | Menarini Ricerche | 2D 3D TSV |
| 22342267 | 18 | Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus. |
Bioorg Med Chem 20: 2152-7 (2012) | Chulalongkorn University | 2D 3D TSV |
| 22342147 | 55 | Synthesis and evaluation of triazolones as checkpoint kinase 1 inhibitors. |
Bioorg Med Chem Lett 22: 2330-7 (2012) | AstraZeneca R&D Boston | 2D 3D TSV |
| 22342144 | 72 | Antidotes to anthrax lethal factor intoxication. Part 3: Evaluation of core structures and further modifications to the C2-side chain. |
Bioorg Med Chem Lett 22: 2242-6 (2012) | PanThera Biopharma, LLC | 2D 3D TSV |
| 22342143 | 37 | Discovery of a series of imidazopyrazine small molecule inhibitors of the kinase MAPKAPK5, that show activity using in vitro and in vivo models of rheumatoid arthritis. |
Bioorg Med Chem Lett 22: 2266-70 (2012) | Galapagos NV | 2D 3D TSV |
| 22342124 | 9 | Design and evaluation of a series of pyrazolopyrimidines as p70S6K inhibitors. |
Bioorg Med Chem Lett 22: 2283-6 (2012) | Exelixis Inc | 2D 3D TSV |
| 22341944 | 29 | Novel oxoisoaporphine-based inhibitors of acetyl- and butyrylcholinesterase and acetylcholinesterase-induced beta-amyloid aggregation. |
Bioorg Med Chem Lett 22: 2257-61 (2012) | School of Chemistry & Chemical Engineering of Guangxi Normal University | 2D 3D TSV |
| 22341942 | 18 | Wake-promoting agents: search for next generation modafinil: part II. |
Bioorg Med Chem Lett 22: 2315-7 (2012) | Cephalon Inc | 2D 3D TSV |
| 22341941 | 34 | Novel 5-substituted 1H-tetrazoles as cyclooxygenase-2 (COX-2) inhibitors. |
Bioorg Med Chem Lett 22: 2235-8 (2012) | University of Alberta | 2D 3D TSV |
| 22341898 | 7 | Synthesis and inhibitory activity of ureidophosphonates, against acetylcholinesterase: pharmacological assay and molecular modeling. |
Bioorg Chem 22-7 (2012) | Institute for Advanced Studies in Basic Sciences (IASBS) | 2D 3D TSV |
| 22341895 | 26 | Probes for narcotic receptor mediated phenomena. 44. Synthesis of an N-substituted 4-hydroxy-5-(3-hydroxyphenyl)morphan with high affinity and selectiveµ-antagonist activity. |
Eur J Med Chem 50: 44-54 (2012) | National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Alcoholism | 2D 3D TSV |
| 22341573 | 39 | Synthesis, biological evaluation and molecular investigation of fluorinated peroxisome proliferator-activated receptorsa/¿ dual agonists. |
Bioorg Med Chem 20: 2141-51 (2012) | Universit£ degli Studi di Bari 'Aldo Moro' | 2D 3D TSV |
| 22341572 | 61 | Synthesis and pharmacology of 1-alkyl-3-(1-naphthoyl)indoles: steric and electronic effects of 4- and 8-halogenated naphthoyl substituents. |
Bioorg Med Chem 20: 2067-81 (2012) | RTI International | 2D 3D TSV |
| 22341244 | 103 | Might the observeda(2A)-adrenoreceptor agonism or antagonism of allyphenyline analogues be ascribed to different molecular conformations? |
Bioorg Med Chem 20: 2082-90 (2012) | Universit£ degli Studi di Camerino | 2D 3D TSV |
| 22341243 | 6 | Synthesis of propiophenone derivatives as new class of antidiabetic agents reducing body weight in db/db mice. |
Bioorg Med Chem 20: 2172-9 (2012) | Central Drug Research Institute | 2D 3D TSV |
| 22340081 | 16 | Solid phase synthesis of 1,5-diarylpyrazole-4-carboxamides: discovery of antagonists of the CB-1 receptor. |
ACS Comb Sci 14: 197-204 (2012) | Bristol-Myers Squibb Research and Development | 2D 3D TSV |
| 22339993 | 8 | Inhibition of bacterial virulence: drug-like molecules targeting the Salmonella enterica PhoP response regulator. |
Chem Biol Drug Des 79: 1007-17 (2012) | Washington University | 2D 3D TSV |
| 22339472 | 148 | Discovery of the macrocycle (9E)-15-(2-(pyrrolidin-1-yl)ethoxy)-7,12,25-trioxa-19,21,24-triaza-tetracyclo[18.3.1.1(2,5).1(14,18)]hexacosa-1(24),2,4,9,14(26),15,17,20,22-nonaene (SB1578), a potent inhibitor of janus kinase 2/fms-like tyrosine kinase-3 (JAK2/FLT3) for the treatment of rheumatoid arth |
J Med Chem 55: 2623-40 (2012) | S BIO Pte. Ltd | 2D 3D TSV |
| 22339433 | 48 | Structure-based design of novel potent protein kinase CK2 (CK2) inhibitors with phenyl-azole scaffolds. |
J Med Chem 55: 2899-903 (2012) | Kyoto University | 2D 3D TSV |
| 22339362 | 20 | Discovery of a novel class of potent human deoxyuridine triphosphatase inhibitors remarkably enhancing the antitumor activity of thymidylate synthase inhibitors. |
J Med Chem 55: 2970-80 (2012) | Taiho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22339342 | 28 | Design, synthesis, and biological evaluation of novel conformationally constrained inhibitors targeting epidermal growth factor receptor threonine7¿°¿ methionine7¿° mutant. |
J Med Chem 55: 2711-23 (2012) | Chinese Academy of Sciences | 2D 3D TSV |
| 22339166 | 14 | Radiolabeled cyclosaligenyl monophosphates of 5-iodo-2'-deoxyuridine, 5-iodo-3'-fluoro-2',3'-dideoxyuridine, and 3'-fluorothymidine for molecular radiotherapy of cancer: synthesis and biological evaluation. |
J Med Chem 55: 2649-71 (2012) | University of Nebraska Medical Center | 2D 3D TSV |
| 22339127 | 14 | Implications of promiscuous Pim-1 kinase fragment inhibitor hydrophobic interactions for fragment-based drug design. |
J Med Chem 55: 2641-8 (2012) | Genzyme Corp. | 2D 3D TSV |
| 22336385 | 4 | 1,3,4-Thiadiazole derivatives as selective inhibitors of iNOS versus nNOS: Synthesis and structure-activity dependence. |
Eur J Med Chem 50: 129-39 (2012) | Universidad de Granada | 2D 3D TSV |
| 22336247 | 20 | Phosphodiesterase inhibitors. Part 3: Design, synthesis and structure-activity relationships of dual PDE3/4-inhibitory fused bicyclic heteroaromatic-dihydropyridazinones with anti-inflammatory and bronchodilatory activity. |
Bioorg Med Chem 20: 1644-58 (2012) | Kyorin Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22336246 | 7 | JFCR39, a panel of 39 human cancer cell lines, and its application in the discovery and development of anticancer drugs. |
Bioorg Med Chem 20: 1947-51 (2012) | Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics | 2D 3D TSV |
| 22336245 | 72 | Structure-activity relationship studies of SYA 013, a homopiperazine analog of haloperidol. |
Bioorg Med Chem 20: 1671-8 (2012) | Florida A&M University | 2D 3D TSV |
| 22335897 | 2 | Characterization of TAE684 as a potent LRRK2 kinase inhibitor. |
Bioorg Med Chem Lett 22: 1864-9 (2012) | University of Dundee | 2D 3D TSV |
| 22335895 | 41 | Structure-activity relationship study of beta-carboline derivatives as haspin kinase inhibitors. |
Bioorg Med Chem Lett 22: 2015-9 (2012) | Harvard Medical School | 2D 3D TSV |
| 22335894 | 10 | New aromatase inhibitors from the 3-pyridyl arylether and 1-aryl pyrrolo[2,3-c]pyridine series. |
Bioorg Med Chem Lett 22: 1860-3 (2012) | Novartis Institutes for BioMedical Research | 2D 3D TSV |
| 22335602 | 93 | Identification and in vivo and in vitro characterization of long acting and melanocortin 4 receptor (MC4-R) selectivea-melanocyte-stimulating hormone (a-MSH) analogues. |
J Med Chem 55: 1969-77 (2012) | Novo Nordisk A/S | 2D 3D TSV |
| 22335555 | 43 | 1,2,3,4-tetrahydroquinoline-based selective human neuronal nitric oxide synthase (nNOS) inhibitors: lead optimization studies resulting in the identification of N-(1-(2-(methylamino)ethyl)-1,2,3,4-tetrahydroquinolin-6-yl)thiophene-2-carboximidamide as a preclinical development candidate. |
J Med Chem 55: 2882-93 (2012) | NeurAxon Inc | 2D 3D TSV |
| 22335519 | 3 | Potent and selective aminopyrimidine-based B-Raf inhibitors with favorable physicochemical and pharmacokinetic properties. |
J Med Chem 55: 2869-81 (2012) | Genentech | 2D 3D TSV |
| 22331994 | 3 | Effect of albumin on human liver microsomal and recombinant CYP1A2 activities: impact on in vitro-in vivo extrapolation of drug clearance. |
Drug Metab Dispos 40: 982-9 (2012) | Khon Kaen University | 2D 3D TSV |
| 22330635 | 25 | Discovery of vinylcycloalkyl-substituted benzimidazole TRPM8 antagonists effective in the treatment of cold allodynia. |
Bioorg Med Chem Lett 22: 1903-7 (2012) | Janssen Pharmaceutica NV | 2D 3D TSV |
| 22330633 | 5 | Depigmenting activity of new kojic acid derivative obtained as a side product in the synthesis of cinnamate of kojic acid. |
Bioorg Med Chem Lett 22: 2004-7 (2012) | Hanyang University | 2D 3D TSV |
| 22329646 | 3 | Flavimycins A and B, dimeric 1,3-dihydroisobenzofurans with peptide deformylase inhibitory activity from Aspergillus flavipes. |
J Nat Prod 75: 271-4 (2012) | Korea Research Institute of Bioscience and Biotechnology | 2D 3D TSV |
| 22329602 | 22 | Fluorescent derivatives of AC-42 to probe bitopic orthosteric/allosteric binding mechanisms on muscarinic M1 receptors. |
J Med Chem 55: 2125-43 (2012) | University of Strasburg | 2D 3D TSV |
| 22329561 | 5 | Synthesis and biological evaluation of 1,4-diaryl-2-azetidinones as specific anticancer agents: activation of adenosine monophosphate activated protein kinase and induction of apoptosis. |
J Med Chem 55: 2112-24 (2012) | University of Milan-Bicocca | 2D 3D TSV |
| 22329507 | 49 | Fused piperidines as a novel class of potent and orally available transient receptor potential melastatin type 8 (TRPM8) antagonists. |
J Med Chem 55: 1593-611 (2012) | Amgen Inc | 2D 3D TSV |
| 22328963 | 4 | Discovery of a Potent HIV Integrase Inhibitor that Leads to a Prodrug with Significant anti-HIV Activity. |
ACS Med Chem Lett 2: 877-881 (2011) | TBA | 2D 3D TSV |
| 22328583 | 132 | Identifying a selective substrate and inhibitor pair for the evaluation of CYP2J2 activity. |
Drug Metab Dispos 40: 943-51 (2012) | Pfizer Inc | 2D 3D TSV |
| 22326398 | 22 | Inhibitors of human histone deacetylase with potent activity against the African trypanosome Trypanosoma brucei. |
Bioorg Med Chem Lett 22: 1886-90 (2012) | London School of Hygiene and Tropical Medicine | 2D 3D TSV |
| 22326396 | 32 | Aminopyrimidinone cdc7 kinase inhibitors. |
Bioorg Med Chem Lett 22: 1940-3 (2012) | Abbott Laboratories | 2D 3D TSV |
| 22326168 | 67 | Synthesis, SAR and biological evaluation of 1,6-disubstituted-1H-pyrazolo[3,4-d]pyrimidines as dual inhibitors of Aurora kinases and CDK1. |
Bioorg Med Chem Lett 22: 2070-4 (2012) | Biogen Idec Inc | 2D 3D TSV |
| 22326166 | 40 | Synthesis and structure-activity relationship (SAR) study of 4-azabenzoxazole analogues as H3 antagonists. |
Bioorg Med Chem Lett 22: 2075-8 (2012) | Merck Research Laboratories | 2D 3D TSV |
| 22326163 | 63 | SAR-study on a new class of imidazo[1,2-a]pyridine-based inhibitors of 5-lipoxygenase. |
Bioorg Med Chem Lett 22: 1969-75 (2012) | ZAFES/LiFF/OSF Goethe-University Frankfurt | 2D 3D TSV |
| 22325951 | 41 | Structure-activity relationship of the 7-hydroxy benzimidazole analogs as glycogen synthase kinase 3ß inhibitor. |
Bioorg Med Chem Lett 22: 1891-4 (2012) | CrystalGenomics, Inc. | 2D 3D TSV |
| 22325949 | 28 | Novel TIPP (H-Tyr-Tic-Phe-Phe-OH) analogues displaying a wide range of efficacies at thed opioid receptor. Discovery of two highly potent and selectived opioid agonists. |
Bioorg Med Chem Lett 22: 1899-902 (2012) | Clinical Research Institute of Montreal | 2D 3D TSV |
| 22325948 | 52 | Identification of fused bicyclic heterocycles as potent and selective 5-HT(2A) receptor antagonists for the treatment of insomnia. |
Bioorg Med Chem Lett 22: 1870-3 (2012) | Arena Pharmaceuticals Inc | 2D 3D TSV |
| 22325946 | 36 | 3,4-Diarylpiperidines as potent renin inhibitors. |
Bioorg Med Chem Lett 22: 1953-7 (2012) | Merck Frosst Center for Therapeutic Research | 2D 3D TSV |
| 22325945 | 55 | Design, synthesis, and evaluation of novel 4-thiazolylimidazoles as inhibitors of transforming growth factor-ß type I receptor kinase. |
Bioorg Med Chem Lett 22: 2024-9 (2012) | Taisho Pharmaceutical Co., Ltd | 2D 3D TSV |
| 22325943 | 71 | Imidazo[1,2-a]pyrazines as novel PI3K inhibitors. |
Bioorg Med Chem Lett 22: 1874-8 (2012) | Spanish National Cancer Research Centre (CNIO) | 2D 3D TSV |
| 22325942 | 31 | Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy. |
Bioorg Med Chem Lett 22: 1854-9 (2012) | AstraZeneca | 2D 3D TSV |
| 22325155 | 20 | 7-Substituted-pyrrolo[3,2-d]pyrimidine-2,4-dione derivatives as antagonists of the transient receptor potential ankyrin 1 (TRPA1) channel: a promising approach for treating pain and inflammation. |
Bioorg Med Chem 20: 1690-8 (2012) | University of Ferrara | 2D 3D TSV |
| 22325154 | 25 | N-(4-Substituted-benzoyl)-N'-(ß-d-glucopyranosyl)ureas as inhibitors of glycogen phosphorylase: Synthesis and evaluation by kinetic, crystallographic, and molecular modelling methods. |
Bioorg Med Chem 20: 1801-16 (2012) | University of Debrecen | 2D 3D TSV |
| 22324546 | 55 | Synthesis and evaluation of sulfonylnitrophenylthiazoles (SNPTs) as thyroid hormone receptor-coactivator interaction inhibitors. |
J Med Chem 55: 2301-10 (2012) | Institut Pasteur Korea | 2D 3D TSV |
| 22321216 | 2 | Towards the preparation of radiolabeled 1-aryl-3-benzyl ureas: Radiosynthesis of [(11)C-carbonyl] AR-A014418 by [(11)C]CO(2) fixation. |
Bioorg Med Chem Lett 22: 2099-101 (2012) | University of Toronto | 2D 3D TSV |
| 22321215 | 16 | Anti-tumor activity of new orally bioavailable 2-amino-5-(thiophen-2-yl)benzamide-series histone deacetylase inhibitors, possessing an aqueous soluble functional group as a surface recognition domain. |
Bioorg Med Chem Lett 22: 1926-30 (2012) | Kansai University | 2D 3D TSV |
| 22321214 | 42 | Discovery of 4-hydroxy-1,6-naphthyridine-3-carbonitrile derivatives as novel PDE10A inhibitors. |
Bioorg Med Chem Lett 22: 1944-8 (2012) | AstraZeneca | 2D 3D TSV |
| 22321213 | 16 | Effect of alkyl chain length on sphingosine kinase 2 selectivity. |
Bioorg Med Chem Lett 22: 6817-20 (2012) | Virginia Tech | 2D 3D TSV |
| 22320402 | 4 | Amine linked flavonoid dimers as modulators for P-glycoprotein-based multidrug resistance: structure-activity relationship and mechanism of modulation. |
J Med Chem 55: 1999-2014 (2012) | The Hong Kong Polytechnic University | 2D 3D TSV |
| 22320388 | 116 | Development of Toxoplasma gondii calcium-dependent protein kinase 1 (TgCDPK1) inhibitors with potent anti-toxoplasma activity. |
J Med Chem 55: 2416-26 (2012) | University of Washington | 2D 3D TSV |
| 22320343 | 21 | Structure-based design of novel class II c-Met inhibitors: 1. Identification of pyrazolone-based derivatives. |
J Med Chem 55: 1858-67 (2012) | Amgen Inc | 2D 3D TSV |
| 22320327 | 250 | Structure-based design of novel class II c-Met inhibitors: 2. SAR and kinase selectivity profiles of the pyrazolone series. |
J Med Chem 55: 1868-97 (2012) | Amgen Inc | 2D 3D TSV |
| 22318165 | 85 | Exploration ofa-aminophosphonate N-derivatives as novel, potent and selective inhibitors of protein tyrosine phosphatases. |
Eur J Med Chem 49: 354-64 (2012) | Shanxi University | 2D 3D TSV |
| 22318160 | 12 | Radiosynthesis of PET radiotracer as a prodrug for imaging group II metabotropic glutamate receptors in vivo. |
Bioorg Med Chem Lett 22: 1958-62 (2012) | Massachusetts General Hospital | 2D 3D TSV |
| 22318159 | 36 | 3,5-Disubstituted indole derivatives as selective human neuronal nitric oxide synthase (nNOS) inhibitors. |
Bioorg Med Chem Lett 22: 1980-4 (2012) | NeurAxon Inc | 2D 3D TSV |
| 22318156 | 128 | Discovery and hit-to-lead optimization of pyrrolopyrimidines as potent, state-dependent Na(v)1.7 antagonists. |
Bioorg Med Chem Lett 22: 2052-62 (2012) | Amgen Inc | 2D 3D TSV |
| 22316555 | 12 | Synthesis and properties of mRNA cap analogs containing imidodiphosphate moiety--fairly mimicking natural cap structure, yet resistant to enzymatic hydrolysis. |
Bioorg Med Chem 20: 1699-710 (2012) | University of Warsaw | 2D 3D TSV |
| 22316554 | 22 | Development of live-cell imaging probes for monitoring histone modifications. |
Bioorg Med Chem 20: 1887-92 (2012) | Japan Science and Technology Agency | 2D 3D TSV |
| 22316553 | 1 | AlCl3 induced (hetero)arylation of 2,3-dichloroquinoxaline: a one-pot synthesis of mono/disubstituted quinoxalines as potential antitubercular agents. |
Bioorg Med Chem 20: 1711-22 (2012) | University of Hyderabad Campus | 2D 3D TSV |
| 22316010 | 12 | Synthesis and evaluation of novel radioligands for positron emission tomography imaging of metabotropic glutamate receptor subtype 1 (mGluR1) in rodent brain. |
J Med Chem 55: 2342-52 (2012) | National Institute of Radiological Sciences | 2D 3D TSV |
| 22315332 | 1 | Preclinical disposition of GDC-0973 and prospective and retrospective analysis of human dose and efficacy predictions. |
Drug Metab Dispos 40: 919-27 (2012) | Genentech | 2D 3D TSV |
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J Med Chem 55: 2452-68 (2012) | Pfizer Inc | 2D 3D TSV |
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